data_2mwo_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2mwo _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 89.1 m-85 . . . . . 0 N--CA 1.471 0.577 0 N-CA-C 114.028 1.121 . . . . 0.0 114.028 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 6.0 t -57.65 115.49 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 C-N-CA 125.689 1.596 . . . . 0.0 108.509 -174.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 113.59 -22.21 15.4 Favored Glycine 0 CA--C 1.532 1.121 0 C-N-CA 125.431 1.491 . . . . 0.0 112.475 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 9.8 mp -74.07 139.33 44.58 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.897 1.349 . . . . 0.0 110.91 -173.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -78.81 126.79 31.18 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 105.865 -1.902 . . . . 0.0 105.865 168.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 16.1 m -146.1 -175.62 0.53 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 C-N-CA 125.271 1.429 . . . . 0.0 107.944 -173.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 9.6 t -120.08 147.72 23.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 105.218 -2.142 . . . . 0.0 105.218 169.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -148.18 152.06 36.6 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.363 1.065 . . . . 0.0 108.786 -169.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 76.5 tttt -83.38 131.1 35.07 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 14.0 t-105 . . . . . 0 N--CA 1.447 -0.624 0 N-CA-C 107.429 -1.323 . . . . 0.0 107.429 169.063 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A 1500 ' ' TYR . . . . . 0.401 ' CG ' ' HA ' ' A' 1589 ' ' SER . 11.7 m-30 . . . . . 0 C--O 1.233 0.209 0 CA-C-O 121.606 0.717 . . . . 0.0 110.705 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -94.63 110.05 21.91 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 106.149 -1.797 . . . . 0.0 106.149 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -103.83 153.39 20.8 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 124.7 1.2 . . . . 0.0 108.544 -176.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 2.6 m -70.34 147.12 49.97 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 123.79 0.836 . . . . 0.0 110.788 177.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -170.38 -175.97 39.54 Favored Glycine 0 C--O 1.225 -0.419 0 O-C-N 121.608 -0.683 . . . . 0.0 112.313 -178.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 34.1 mtmt -132.8 128.79 37.52 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 -173.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 22.3 mt -72.69 130.99 35.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 106.86 -1.533 . . . . 0.0 106.86 -178.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 71.6 p -106.59 -36.98 6.59 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 123.158 0.583 . . . . 0.0 110.483 -170.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.48 143.41 4.11 Favored 'General case' 0 C--N 1.344 0.345 0 C-N-CA 124.026 0.931 . . . . 0.0 110.93 176.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 7.4 t70 -71.0 103.03 2.56 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 168.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.5 t -64.3 -49.53 80.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 -176.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 148.65 166.2 12.76 Favored Glycine 0 C--N 1.34 0.756 0 N-CA-C 109.582 -1.407 . . . . 0.0 109.582 172.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.88 9.29 0.59 Allowed 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 177.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 107.97 -7.66 35.76 Favored Glycine 0 C--N 1.339 0.729 0 C-N-CA 125.133 1.349 . . . . 0.0 111.225 -177.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 12.1 mtpp -74.95 134.37 41.54 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-N 119.818 1.809 . . . . 0.0 106.863 170.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -125.64 138.07 53.9 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 105.508 -2.034 . . . . 0.0 105.508 169.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 29.2 ttpt -84.9 139.16 32.06 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 176.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.2 mm? -125.96 119.21 27.12 Favored 'General case' 0 CA--C 1.513 -0.473 0 C-N-CA 124.744 1.218 . . . . 0.0 108.6 -169.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 40.1 tp -83.88 94.74 8.29 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 104.341 -2.466 . . . . 0.0 104.341 169.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -57.08 150.12 17.87 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 173.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -61.98 -25.43 67.62 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 121.914 -0.491 . . . . 0.0 111.781 -172.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 30.0 p-10 -78.51 0.34 26.46 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.735 1.214 . . . . 0.0 113.244 175.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 103.12 -4.09 48.47 Favored Glycine 0 CA--C 1.532 1.13 0 C-N-CA 125.331 1.443 . . . . 0.0 113.321 169.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -79.23 156.17 28.25 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.181 0.991 . . . . 0.0 109.878 -176.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -141.49 117.37 10.48 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 123.757 0.823 . . . . 0.0 108.916 -175.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 87.5 m -144.71 168.35 20.4 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.898 1.679 . . . . 0.0 107.752 174.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -98.19 145.59 26.46 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 123.795 0.838 . . . . 0.0 110.142 178.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 96.1 t -144.04 138.82 24.76 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.442 0 N-CA-C 107.805 -1.184 . . . . 0.0 107.805 -172.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 7.3 mt -76.66 150.57 36.36 Favored 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 122.526 0.331 . . . . 0.0 110.603 178.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -53.78 -34.75 51.38 Favored Glycine 0 CA--C 1.523 0.54 0 C-N-CA 124.407 1.003 . . . . 0.0 113.268 -179.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.53 -32.69 63.14 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 122.104 -0.645 . . . . 0.0 110.673 177.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -101.74 22.88 12.14 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 126.27 1.828 . . . . 0.0 112.226 -170.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -130.23 135.88 59.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 179.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 42.0 mt -115.84 110.99 19.81 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 104.883 -2.266 . . . . 0.0 104.883 -175.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.69 -2.9 22.77 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 116.761 2.134 . . . . 0.0 116.761 -169.275 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 21.8 p -134.27 49.43 2.25 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 107.006 -1.479 . . . . 0.0 107.006 -176.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 50.0 t0 -115.48 55.47 1.04 Allowed Pre-proline 0 CA--C 1.541 0.611 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 -168.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -67.21 122.75 10.07 Favored 'Trans proline' 0 CA--C 1.542 0.906 1 N-CA-C 101.158 -4.208 . . . . 0.0 101.158 166.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 9.5 mm -58.61 117.49 21.05 Favored Pre-proline 0 CA--C 1.538 0.499 0 CA-C-N 119.052 0.842 . . . . 0.0 108.885 -168.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -63.02 143.21 90.41 Favored 'Trans proline' 0 N--CA 1.451 -1.023 0 C-N-CA 121.804 1.669 . . . . 0.0 110.049 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 3.7 mp -58.41 147.64 30.7 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 169.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 20.3 t70 74.64 -3.6 2.54 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 127.306 2.242 . . . . 0.0 113.707 -175.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 30.1 m -70.91 134.65 47.43 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 170.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -77.14 137.1 38.69 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 170.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -147.53 161.2 7.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 C-N-CA 124.543 1.137 . . . . 0.0 109.667 -174.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 2.2 m -89.44 130.23 35.82 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 106.166 -1.791 . . . . 0.0 106.166 169.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -93.41 137.75 32.4 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 170.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.25 99.1 3.77 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.482 0.713 . . . . 0.0 110.323 -171.146 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 4.7 m -62.34 123.39 18.1 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 104.363 -2.458 . . . . 0.0 104.363 168.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -54.21 -21.52 9.16 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 115.727 1.751 . . . . 0.0 115.727 -168.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 37.7 t70 -67.62 -32.23 72.8 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 118.342 -0.837 . . . . 0.0 112.125 175.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 155.55 -20.03 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 129.003 2.921 . . . . 0.0 114.804 169.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -53.89 124.86 16.61 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 119.511 1.05 . . . . 0.0 110.399 -169.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 8.7 t80 -117.25 127.0 53.65 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 124.371 1.069 . . . . 0.0 111.015 -169.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 5.1 p -151.65 177.37 10.43 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.684 1.193 . . . . 0.0 109.634 170.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -134.69 159.09 42.37 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 119.773 1.17 . . . . 0.0 111.239 174.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -171.76 -160.01 19.32 Favored Glycine 0 CA--C 1.528 0.851 0 C-N-CA 126.267 1.889 . . . . 0.0 109.106 -171.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.7 t -133.0 142.35 42.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 CA-C-N 118.562 1.181 . . . . 0.0 109.49 -174.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 63.1 t -65.86 126.37 24.95 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 171.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 85.4 mttt -132.74 18.88 4.22 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.865 0.866 . . . . 0.0 111.453 170.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -176.97 173.38 46.26 Favored Glycine 0 C--N 1.34 0.754 0 O-C-N 121.338 -0.851 . . . . 0.0 111.953 170.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 8.9 m80 -137.11 154.15 50.35 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 126.524 1.93 . . . . 0.0 110.14 -178.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 . . . . . 0 N--CA 1.456 -0.134 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 172.856 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 24.8 tp . . . . . 0 C--O 1.233 0.205 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -131.96 159.12 39.63 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 126.019 1.728 . . . . 0.0 110.286 -174.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -141.32 132.58 26.53 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 -173.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 39.1 t -83.46 107.07 15.71 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 102.412 -3.181 . . . . 0.0 102.412 169.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 27.9 mm -88.88 126.03 41.96 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 N-CA-C 105.215 -2.143 . . . . 0.0 105.215 171.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -83.36 113.53 20.79 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 102.472 -3.158 . . . . 0.0 102.472 168.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -140.1 127.9 21.9 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 -168.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 48.68 39.95 14.72 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.413 1.085 . . . . 0.0 111.633 -172.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 67.3 28.91 73.77 Favored Glycine 0 CA--C 1.53 1.008 0 CA-C-O 119.075 -0.847 . . . . 0.0 112.893 175.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -136.17 149.81 48.78 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 174.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -91.3 117.3 29.53 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 106.851 -1.537 . . . . 0.0 106.851 175.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -129.79 129.8 44.53 Favored 'General case' 0 CA--C 1.522 -0.13 0 N-CA-C 107.326 -1.361 . . . . 0.0 107.326 -169.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 91.3 m95 -80.83 123.83 28.58 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -126.46 157.92 37.41 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 169.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 57.5 pttt -99.59 166.38 11.17 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.81 1.244 . . . . 0.0 110.008 -178.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 20.6 ttp-105 -43.59 -54.79 4.7 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-N 120.243 1.383 . . . . 0.0 112.76 -177.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 1.8 ppp? -72.45 -13.25 61.4 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 -174.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -94.43 -1.81 52.99 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 126.243 1.817 . . . . 0.0 110.465 171.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 57.8 t -120.46 89.97 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.593 0 N-CA-C 105.839 -1.911 . . . . 0.0 105.839 175.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 10.6 pt -111.57 165.55 6.59 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 -171.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 11.3 mt -113.29 114.93 27.38 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 -175.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1589 ' ' SER . . . . . 0.401 ' HA ' ' CG ' ' A' 1500 ' ' TYR . 5.0 m -57.81 146.03 32.96 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 106.273 -1.751 . . . . 0.0 106.273 169.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.8 pp -54.21 -36.78 63.85 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.569 1.077 . . . . 0.0 112.769 -169.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -64.86 -40.27 94.88 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.765 0.826 . . . . 0.0 109.795 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -68.04 -49.64 60.18 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.557 1.143 . . . . 0.0 108.143 176.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -61.29 -30.86 75.16 Favored Glycine 0 C--N 1.337 0.608 0 C-N-CA 124.241 0.924 . . . . 0.0 112.183 -176.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -53.41 -42.58 67.16 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 118.39 1.095 . . . . 0.0 111.721 174.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -61.14 -14.69 26.55 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.632 0.773 . . . . 0.0 112.568 -179.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 2.0 mp -109.53 -23.42 11.5 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 124.106 0.963 . . . . 0.0 110.822 176.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 2.4 ttp85 -59.1 -36.51 75.28 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 119.802 1.183 . . . . 0.0 111.612 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -57.63 -23.21 49.91 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 118.197 -0.906 . . . . 0.0 113.355 177.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -114.67 -46.77 2.93 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-N 119.765 1.166 . . . . 0.0 112.008 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 9.8 m-30 -91.85 -8.51 46.33 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 124.591 1.156 . . . . 0.0 112.72 -169.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -53.23 128.48 38.28 Favored Glycine 0 CA--C 1.527 0.834 0 C-N-CA 125.4 1.476 . . . . 0.0 110.282 175.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.466 0.36 0 CA-C-N 118.707 1.254 . . . . 0.0 108.957 174.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 86.6 m-85 . . . . . 0 N--CA 1.467 0.411 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 4.1 t -57.27 114.73 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 C-N-CA 125.825 1.65 . . . . 0.0 108.772 -175.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 114.55 -22.85 12.75 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 125.376 1.465 . . . . 0.0 112.353 179.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 8.4 mp -74.54 140.64 44.6 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 118.912 1.356 . . . . 0.0 110.994 -173.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 79.2 mtt85 -81.18 127.69 32.94 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 105.639 -1.985 . . . . 0.0 105.639 168.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 17.4 m -145.85 -177.44 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 125.237 1.415 . . . . 0.0 107.72 -173.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 15.7 t -116.72 143.26 27.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 105.197 -2.149 . . . . 0.0 105.197 169.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -145.34 152.78 40.43 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.613 1.165 . . . . 0.0 108.886 -169.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -82.56 129.48 34.94 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 178.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 30.7 t-105 . . . . . 0 C--N 1.326 -0.454 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 169.639 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 11.0 m-30 . . . . . 0 C--O 1.236 0.344 0 CA-C-O 121.575 0.703 . . . . 0.0 110.221 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -96.54 111.12 23.36 Favored 'General case' 0 N--CA 1.446 -0.635 0 N-CA-C 106.275 -1.75 . . . . 0.0 106.275 -176.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -105.55 160.13 15.41 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 125.092 1.357 . . . . 0.0 108.788 -175.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 57.6 m -72.67 145.43 47.23 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 118.717 0.69 . . . . 0.0 110.353 173.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -166.99 179.47 40.71 Favored Glycine 0 C--N 1.333 0.385 0 N-CA-C 111.494 -0.643 . . . . 0.0 111.494 178.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 33.5 mtmt -127.94 128.26 44.77 Favored 'General case' 0 CA--C 1.514 -0.442 0 N-CA-C 106.224 -1.769 . . . . 0.0 106.224 -171.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 23.8 mt -73.59 128.14 35.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 106.849 -1.537 . . . . 0.0 106.849 -177.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 62.7 p -103.74 -37.66 7.38 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 123.231 0.612 . . . . 0.0 110.098 -170.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -166.86 142.41 4.3 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 124.074 0.949 . . . . 0.0 111.551 176.107 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 6.6 t0 -69.01 102.54 1.63 Allowed 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 125.333 1.453 . . . . 0.0 107.792 168.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.5 t -65.05 -50.34 75.07 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 -175.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 145.95 165.81 11.64 Favored Glycine 0 C--N 1.339 0.735 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 57.25 9.3 0.68 Allowed 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 114.904 1.446 . . . . 0.0 114.904 177.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 103.93 -6.45 47.69 Favored Glycine 0 CA--C 1.525 0.696 0 C-N-CA 125.322 1.439 . . . . 0.0 111.163 -176.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 30.5 mtpt -75.09 138.22 41.95 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 119.724 1.762 . . . . 0.0 107.732 171.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -127.52 137.26 52.59 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 105.159 -2.163 . . . . 0.0 105.159 169.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 29.1 ttpt -84.26 138.89 32.7 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 177.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.1 mm? -125.55 118.78 26.49 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 124.758 1.223 . . . . 0.0 108.654 -169.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 43.6 tp -83.73 94.51 8.17 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 105.16 -2.163 . . . . 0.0 105.16 169.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -59.27 151.64 22.73 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 172.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -69.77 -19.21 63.52 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -170.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 44.3 p-10 -76.59 -3.22 36.51 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.821 1.249 . . . . 0.0 112.485 170.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 102.55 -2.53 49.62 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 125.941 1.734 . . . . 0.0 113.088 170.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -77.11 157.6 30.93 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 117.896 0.848 . . . . 0.0 109.622 -177.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -142.14 120.45 12.31 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 -176.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 64.3 m -146.93 168.07 22.38 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 125.325 1.45 . . . . 0.0 107.815 171.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -88.0 142.55 27.7 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 124.148 0.979 . . . . 0.0 109.251 176.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 90.5 t -141.59 137.17 32.09 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.253 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 -177.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.7 mt -75.57 151.14 37.92 Favored 'General case' 0 CA--C 1.513 -0.471 0 C-N-CA 122.945 0.498 . . . . 0.0 112.284 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -55.03 -39.34 68.77 Favored Glycine 0 CA--C 1.521 0.412 0 C-N-CA 124.326 0.965 . . . . 0.0 113.16 -177.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.29 -21.76 64.25 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.387 1.094 . . . . 0.0 112.466 177.32 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -100.64 21.05 14.0 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.744 1.617 . . . . 0.0 111.697 -175.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -132.53 137.02 55.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 -179.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 63.1 mt -117.88 114.36 23.12 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 127.682 2.393 . . . . 0.0 104.946 -176.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -107.43 -2.06 20.88 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 116.637 2.088 . . . . 0.0 116.637 -169.387 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 24.5 p -135.11 54.07 1.95 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 106.488 -1.671 . . . . 0.0 106.488 -177.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 51.4 t0 -118.51 63.09 5.29 Favored Pre-proline 0 CA--C 1.54 0.567 0 N-CA-C 117.192 2.293 . . . . 0.0 117.192 -168.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -72.29 122.7 8.57 Favored 'Trans proline' 0 CA--C 1.546 1.102 1 N-CA-C 100.821 -4.338 . . . . 0.0 100.821 165.694 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 5.4 mm -60.18 122.1 64.17 Favored Pre-proline 0 CA--C 1.539 0.555 0 CA-C-N 119.509 1.049 . . . . 0.0 109.19 -168.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -63.53 143.83 88.72 Favored 'Trans proline' 0 N--CA 1.452 -0.956 0 C-N-CA 121.952 1.768 . . . . 0.0 110.625 178.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 3.4 mp -58.02 149.06 24.21 Favored 'General case' 0 C--O 1.233 0.211 0 O-C-N 121.638 -0.664 . . . . 0.0 109.544 169.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 4.9 t70 72.36 -2.93 2.44 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.944 2.098 . . . . 0.0 113.538 -176.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 25.0 m -69.48 134.93 49.5 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 169.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -75.48 137.31 40.83 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 107.332 -1.359 . . . . 0.0 107.332 170.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -146.14 158.89 11.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 124.475 1.11 . . . . 0.0 109.709 -176.449 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 2.8 m -90.23 131.29 36.13 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 105.559 -2.015 . . . . 0.0 105.559 169.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -97.38 140.16 32.25 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 172.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.21 99.23 3.81 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.315 1.046 . . . . 0.0 109.889 -169.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 5.3 m -64.19 135.41 56.28 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 105.015 -2.217 . . . . 0.0 105.015 168.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -52.62 -36.66 56.9 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.174 0.59 . . . . 0.0 111.557 -169.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 26.6 t0 -79.95 60.75 3.63 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.232 1.413 . . . . 0.0 110.668 174.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 55.15 -14.48 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 120.084 3.365 . . . . 0.0 120.084 172.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -58.52 129.42 41.99 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 122.229 2.286 . . . . 0.0 110.144 -176.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 6.5 t80 -125.63 126.07 44.13 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 124.539 1.136 . . . . 0.0 109.783 -169.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 4.0 p -151.62 176.99 10.8 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.651 1.18 . . . . 0.0 109.22 169.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -133.84 158.16 44.1 Favored 'General case' 0 C--O 1.233 0.213 0 O-C-N 120.75 -1.219 . . . . 0.0 111.017 174.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -171.75 -158.23 15.37 Favored Glycine 0 CA--C 1.523 0.588 0 C-N-CA 125.998 1.761 . . . . 0.0 108.701 -171.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.1 t -133.82 143.8 37.55 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-N 118.562 1.181 . . . . 0.0 109.716 -174.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 64.0 t -65.74 127.78 27.49 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.284 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 171.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -131.76 12.89 4.87 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.083 0.953 . . . . 0.0 111.737 171.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -176.51 173.57 46.38 Favored Glycine 0 C--N 1.341 0.839 0 O-C-N 121.291 -0.88 . . . . 0.0 112.076 173.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 8.6 m80 -136.7 154.69 50.54 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 126.335 1.854 . . . . 0.0 110.26 -177.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 . . . . . 0 N--CA 1.461 0.086 0 N-CA-C 107.37 -1.344 . . . . 0.0 107.37 171.567 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 38.3 tp . . . . . 0 N--CA 1.448 -0.57 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -122.42 156.37 34.17 Favored 'General case' 0 CA--C 1.515 -0.378 0 C-N-CA 125.371 1.468 . . . . 0.0 109.274 -175.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -139.61 131.72 28.03 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 106.857 -1.535 . . . . 0.0 106.857 -174.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 43.9 t -84.36 103.79 13.83 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 102.798 -3.038 . . . . 0.0 102.798 168.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 26.9 mm -85.37 126.55 40.41 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 N-CA-C 105.471 -2.048 . . . . 0.0 105.471 172.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -83.05 115.5 21.89 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 102.568 -3.123 . . . . 0.0 102.568 168.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -142.84 135.51 27.82 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 105.406 -2.072 . . . . 0.0 105.406 -169.386 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 52.19 33.25 12.03 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.639 0.775 . . . . 0.0 111.321 -169.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 73.76 15.44 79.47 Favored Glycine 0 CA--C 1.53 0.97 0 CA-C-O 118.933 -0.926 . . . . 0.0 114.195 175.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -144.38 157.58 44.19 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 118.707 1.254 . . . . 0.0 110.277 -177.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -80.06 135.29 36.32 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.47 0.708 . . . . 0.0 109.463 -173.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -143.1 128.25 18.64 Favored 'General case' 0 N--CA 1.461 0.107 0 N-CA-C 106.872 -1.529 . . . . 0.0 106.872 -178.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 92.2 m95 -81.0 128.24 33.48 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.778 -0.576 . . . . 0.0 110.13 177.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -131.27 163.81 26.97 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.489 1.516 . . . . 0.0 107.005 169.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 62.9 pttt -111.52 166.87 10.77 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.274 1.03 . . . . 0.0 110.266 -177.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 23.7 ttp180 -41.69 -55.85 2.83 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 114.66 1.356 . . . . 0.0 114.66 -176.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 2.2 ppp? -71.7 -15.54 62.21 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 121.116 1.78 . . . . 0.0 113.847 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -93.15 -1.94 55.85 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.34 1.856 . . . . 0.0 111.068 172.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 75.7 t -120.09 91.02 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 N-CA-C 105.769 -1.938 . . . . 0.0 105.769 176.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 8.1 pt -107.93 165.68 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 -173.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 8.1 mt -115.2 118.48 33.43 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 106.69 -1.596 . . . . 0.0 106.69 -176.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 3.3 m -58.17 145.27 37.67 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 106.416 -1.698 . . . . 0.0 106.416 169.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.6 pp -53.48 -35.36 60.49 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -169.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -68.1 -36.43 79.77 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.855 0.862 . . . . 0.0 110.582 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -70.78 -48.8 52.41 Favored 'General case' 0 C--O 1.224 -0.272 0 C-N-CA 124.859 1.264 . . . . 0.0 108.016 176.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -62.77 -29.27 73.44 Favored Glycine 0 C--N 1.339 0.696 0 C-N-CA 124.218 0.913 . . . . 0.0 112.364 -177.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -56.87 -39.22 73.93 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 118.608 1.204 . . . . 0.0 112.279 174.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -60.93 -20.54 62.33 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 118.484 0.584 . . . . 0.0 111.656 178.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 7.0 mp -98.34 -26.25 14.56 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.623 1.169 . . . . 0.0 110.809 177.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 66.4 ttp85 -56.72 -39.6 74.2 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 119.573 1.079 . . . . 0.0 111.3 -176.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -60.04 -19.71 54.17 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 118.074 -0.965 . . . . 0.0 113.318 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -114.86 -48.47 2.84 Favored 'General case' 0 C--N 1.347 0.487 0 CA-C-N 119.925 1.238 . . . . 0.0 112.428 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 9.4 m-30 -91.51 -9.36 44.71 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.34 1.056 . . . . 0.0 112.283 -170.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -55.97 130.81 49.51 Favored Glycine 0 CA--C 1.526 0.726 0 C-N-CA 125.421 1.486 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.342 0.248 0 CA-C-N 118.264 1.032 . . . . 0.0 109.227 174.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 84.6 m-85 . . . . . 0 N--CA 1.466 0.339 0 N-CA-C 114.452 1.278 . . . . 0.0 114.452 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 6.6 t -59.51 115.8 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 C-N-CA 125.496 1.518 . . . . 0.0 108.613 -173.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 114.55 -23.73 11.88 Favored Glycine 0 CA--C 1.529 0.936 0 C-N-CA 125.372 1.463 . . . . 0.0 112.219 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 8.6 mp -74.58 137.86 42.63 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 118.747 1.274 . . . . 0.0 110.972 -172.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 43.2 mtp180 -77.17 128.86 35.15 Favored 'General case' 0 N--CA 1.463 0.205 0 N-CA-C 105.955 -1.868 . . . . 0.0 105.955 168.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 22.2 m -146.31 -175.41 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 C-N-CA 125.786 1.635 . . . . 0.0 107.463 -174.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 3.9 t -120.68 143.7 31.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 104.648 -2.353 . . . . 0.0 104.648 169.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -144.39 153.26 41.75 Favored 'General case' 0 CA--C 1.513 -0.453 0 O-C-N 121.189 -0.945 . . . . 0.0 108.803 -170.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 72.1 tttt -81.8 127.66 33.2 Favored 'General case' 0 CA--C 1.507 -0.673 0 N-CA-C 106.419 -1.697 . . . . 0.0 106.419 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 27.4 t-105 . . . . . 0 N--CA 1.45 -0.469 0 N-CA-C 106.792 -1.559 . . . . 0.0 106.792 169.601 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 13.3 m-30 . . . . . 0 C--O 1.234 0.271 0 CA-C-O 121.301 0.572 . . . . 0.0 110.816 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -85.85 108.43 18.13 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 173.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -99.46 150.96 21.65 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.796 1.238 . . . . 0.0 107.711 178.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 7.8 m -72.02 147.19 47.1 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.354 0.661 . . . . 0.0 110.273 177.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -171.82 -174.46 39.37 Favored Glycine 0 C--N 1.336 0.546 0 O-C-N 121.687 -0.633 . . . . 0.0 112.23 -176.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 41.1 mtmt -130.84 130.83 44.12 Favored 'General case' 0 CA--C 1.516 -0.341 0 C-N-CA 126.129 1.772 . . . . 0.0 106.947 -173.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 18.8 mt -73.34 130.62 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 66.3 p -104.8 -37.19 7.13 Favored 'General case' 0 CA--C 1.517 -0.289 0 C-N-CA 122.995 0.518 . . . . 0.0 111.036 -171.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -169.0 141.07 2.59 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 123.949 0.9 . . . . 0.0 111.431 177.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 8.1 t70 -68.26 102.82 1.45 Allowed 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.041 1.336 . . . . 0.0 107.887 168.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.5 t -64.66 -50.1 77.26 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 C-N-CA 123.619 0.768 . . . . 0.0 108.935 -177.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 146.62 163.89 10.69 Favored Glycine 0 C--N 1.338 0.667 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 58.87 8.79 1.02 Allowed 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 177.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 103.09 -7.37 52.22 Favored Glycine 0 CA--C 1.525 0.675 0 C-N-CA 124.716 1.151 . . . . 0.0 111.471 -173.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -74.66 137.69 42.36 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-N 120.576 2.188 . . . . 0.0 107.674 169.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -126.42 139.05 53.56 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 104.805 -2.294 . . . . 0.0 104.805 169.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -84.24 140.46 31.66 Favored 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 107.559 -1.274 . . . . 0.0 107.559 175.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.0 mm? -125.72 119.38 27.83 Favored 'General case' 0 CA--C 1.51 -0.587 0 N-CA-C 107.956 -1.128 . . . . 0.0 107.956 -169.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 42.8 tp -83.74 94.23 8.11 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 104.538 -2.393 . . . . 0.0 104.538 169.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -56.73 150.17 16.54 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 172.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -67.01 -16.84 64.62 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -170.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 24.6 p-10 -85.55 2.93 42.83 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.733 1.613 . . . . 0.0 112.721 172.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 101.57 -3.61 53.66 Favored Glycine 0 CA--C 1.53 1.0 0 C-N-CA 125.183 1.373 . . . . 0.0 114.217 169.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -79.68 155.41 28.05 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 118.347 1.074 . . . . 0.0 109.413 -176.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -141.44 117.47 10.57 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 -175.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 83.2 m -143.69 164.79 29.46 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.411 1.484 . . . . 0.0 108.058 175.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -83.45 142.08 31.22 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 123.87 0.868 . . . . 0.0 108.783 174.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 88.5 t -141.06 134.72 31.91 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.311 0 N-CA-C 107.113 -1.44 . . . . 0.0 107.113 178.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.5 mt -70.54 148.0 48.69 Favored 'General case' 0 C--O 1.22 -0.461 0 O-C-N 121.782 -0.574 . . . . 0.0 110.619 176.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -54.19 -33.85 52.51 Favored Glycine 0 C--N 1.335 0.51 0 C-N-CA 124.189 0.899 . . . . 0.0 112.992 176.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.76 -24.59 23.19 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.082 0.553 . . . . 0.0 112.142 173.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -113.97 22.31 14.04 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.21 1.804 . . . . 0.0 111.242 -170.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 1.7 mt -127.01 133.91 67.33 Favored 'Isoleucine or valine' 0 C--N 1.343 0.294 0 N-CA-C 106.693 -1.595 . . . . 0.0 106.693 177.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 58.7 mt -112.69 110.45 20.6 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 128.682 2.793 . . . . 0.0 104.69 -176.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.0 -4.3 17.97 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 116.392 1.997 . . . . 0.0 116.392 -169.045 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 19.7 p -131.01 53.16 2.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 105.59 -2.004 . . . . 0.0 105.59 -177.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 53.7 t0 -118.55 62.78 5.22 Favored Pre-proline 0 C--O 1.237 0.406 0 N-CA-C 116.848 2.166 . . . . 0.0 116.848 -168.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -74.38 122.86 7.77 Favored 'Trans proline' 0 CA--C 1.55 1.282 1 N-CA-C 100.346 -4.521 . . . . 0.0 100.346 165.525 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 8.6 mm -60.42 122.86 70.54 Favored Pre-proline 0 CA--C 1.543 0.683 0 CA-C-N 119.863 1.211 . . . . 0.0 109.595 -168.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -62.55 143.76 93.38 Favored 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 121.942 1.761 . . . . 0.0 110.438 177.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 3.8 mp -58.1 148.9 25.04 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 170.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 4.9 t70 71.65 -2.14 2.56 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.848 2.059 . . . . 0.0 113.892 -175.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 25.7 m -69.48 135.96 50.85 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 169.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -82.14 136.77 35.1 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 171.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 1.6 m -146.55 162.36 9.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 C-N-CA 125.102 1.361 . . . . 0.0 109.094 -170.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 9.0 m -90.1 137.83 32.02 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 104.973 -2.232 . . . . 0.0 104.973 169.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -116.56 142.23 47.16 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 125.558 1.543 . . . . 0.0 107.881 177.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -139.26 128.57 24.11 Favored 'General case' 0 CA--C 1.511 -0.523 0 C-N-CA 124.166 0.986 . . . . 0.0 109.541 -169.339 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1548 ' ' SER . . . . . 0.472 ' C ' ' H ' ' A' 1550 ' ' ASP . 52.7 m -68.4 169.42 10.75 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 106.774 -1.565 . . . . 0.0 106.774 167.703 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -71.58 12.73 0.32 Allowed 'General case' 0 CA--C 1.552 1.034 0 O-C-N 120.336 -1.477 . . . . 0.0 112.27 176.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1550 ' ' ASP . . . . . 0.472 ' H ' ' C ' ' A' 1548 ' ' SER . 29.1 t0 -144.09 167.53 22.17 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 128.573 2.749 . . . . 0.0 105.747 169.56 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -52.48 8.44 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 121.06 3.726 . . . . 0.0 121.06 -168.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -67.89 120.4 14.12 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 106.726 -1.583 . . . . 0.0 106.726 169.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -136.08 132.31 35.96 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 124.721 1.208 . . . . 0.0 109.026 -169.58 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 7.2 p -151.88 178.47 9.37 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.325 1.45 . . . . 0.0 109.911 174.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -128.87 155.34 45.39 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 119.465 1.03 . . . . 0.0 110.532 170.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.92 -162.92 24.1 Favored Glycine 0 CA--C 1.53 0.988 0 C-N-CA 126.605 2.05 . . . . 0.0 108.707 -170.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.4 t -129.92 142.63 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 CA-C-N 119.235 1.517 . . . . 0.0 110.099 -172.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 82.1 t -65.08 127.3 25.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 171.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 68.1 mmtt -128.67 11.92 6.27 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 119.149 0.886 . . . . 0.0 111.634 170.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -178.62 179.71 48.66 Favored Glycine 0 CA--C 1.523 0.572 0 CA-C-N 118.798 0.726 . . . . 0.0 112.188 173.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 9.3 m80 -140.83 154.28 46.14 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 126.889 2.076 . . . . 0.0 110.86 -173.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 . . . . . 0 N--CA 1.462 0.128 0 C-N-CA 125.438 1.495 . . . . 0.0 107.48 170.279 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 38.0 tp . . . . . 0 N--CA 1.446 -0.671 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -124.48 155.58 38.69 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 125.171 1.388 . . . . 0.0 108.662 -174.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -138.81 127.35 23.19 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 106.013 -1.847 . . . . 0.0 106.013 -175.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.1 p -84.18 96.19 8.88 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 104.694 -2.335 . . . . 0.0 104.694 169.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 38.4 mm -78.05 134.51 28.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 105.951 -1.87 . . . . 0.0 105.951 177.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -93.88 120.01 33.57 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 105.116 -2.179 . . . . 0.0 105.116 169.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -145.23 135.89 24.4 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 105.175 -2.157 . . . . 0.0 105.175 -170.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 51.74 33.57 11.36 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.89 0.876 . . . . 0.0 111.963 -170.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 70.42 18.85 75.66 Favored Glycine 0 CA--C 1.532 1.106 0 O-C-N 121.581 -0.699 . . . . 0.0 113.82 175.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -142.27 158.01 44.19 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.764 1.225 . . . . 0.0 108.597 179.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 85.4 mtm-85 -101.04 142.33 32.66 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 118.814 0.734 . . . . 0.0 110.124 -169.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -146.25 132.52 19.5 Favored 'General case' 0 N--CA 1.461 0.076 0 N-CA-C 106.732 -1.581 . . . . 0.0 106.732 -169.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 89.4 m95 -80.79 130.84 35.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 118.738 0.699 . . . . 0.0 109.919 177.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -131.77 162.5 30.36 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 169.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -106.89 165.56 11.24 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.658 1.183 . . . . 0.0 110.119 -175.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 49.4 ttt180 -53.7 -42.22 67.78 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 120.657 1.572 . . . . 0.0 113.273 -174.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 1.4 ppp? -70.83 -21.27 62.47 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 121.005 1.73 . . . . 0.0 112.778 177.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -88.64 -8.31 54.84 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 124.763 1.225 . . . . 0.0 111.619 176.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 82.2 t -116.39 93.03 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 N-CA-C 105.803 -1.925 . . . . 0.0 105.803 -177.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 10.0 pt -110.9 164.03 7.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 -172.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 5.0 mt -110.29 116.81 32.13 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 -176.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.73 148.24 10.26 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 169.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.5 pp -56.88 -33.64 67.07 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 -168.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -69.71 -36.02 75.55 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.339 -0.851 . . . . 0.0 109.754 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -67.29 -52.62 38.36 Favored 'General case' 0 C--N 1.34 0.187 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 176.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -63.27 -28.08 71.69 Favored Glycine 0 C--N 1.34 0.779 0 CA-C-O 119.409 -0.662 . . . . 0.0 111.943 -174.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -57.38 -43.27 83.46 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 118.882 1.341 . . . . 0.0 111.694 173.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 29.2 mtt85 -61.59 -17.33 54.69 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 178.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.0 mp -99.62 -27.25 13.77 Favored 'General case' 0 C--N 1.34 0.187 0 C-N-CA 124.394 1.078 . . . . 0.0 110.554 176.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 65.9 ttp85 -57.99 -38.31 75.87 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 119.404 1.002 . . . . 0.0 111.349 -177.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -58.26 -22.22 51.58 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 118.055 -0.974 . . . . 0.0 113.196 178.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -115.02 -48.16 2.84 Favored 'General case' 0 C--N 1.347 0.458 0 CA-C-N 120.09 1.314 . . . . 0.0 112.067 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.0 m-30 -91.59 -10.51 40.26 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 124.613 1.165 . . . . 0.0 112.072 -170.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -52.59 130.89 39.21 Favored Glycine 0 CA--C 1.527 0.84 0 C-N-CA 125.394 1.473 . . . . 0.0 110.648 175.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.233 0.202 0 CA-C-N 118.73 1.265 . . . . 0.0 109.087 174.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 94.4 m-85 . . . . . 0 N--CA 1.468 0.455 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 4.0 t -57.27 114.91 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 C-N-CA 125.154 1.382 . . . . 0.0 108.969 -175.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 114.04 -20.48 16.84 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 125.18 1.372 . . . . 0.0 112.486 178.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 9.4 mp -74.4 137.84 42.96 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 118.845 1.323 . . . . 0.0 110.376 -174.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 91.4 mtm-85 -76.52 126.8 31.62 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 106.457 -1.682 . . . . 0.0 106.457 168.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 17.1 m -146.67 -177.72 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 -173.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 7.6 t -117.89 151.64 19.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 105.25 -2.13 . . . . 0.0 105.25 169.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -150.39 152.78 34.87 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 121.188 -0.945 . . . . 0.0 109.35 -172.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 77.1 tttt -83.11 127.52 33.67 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 178.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 10.9 t-105 . . . . . 0 N--CA 1.448 -0.568 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 169.106 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 10.1 m-30 . . . . . 0 C--O 1.236 0.369 0 CA-C-O 121.624 0.726 . . . . 0.0 110.101 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 1.8 m-30 -99.0 110.55 23.15 Favored 'General case' 0 N--CA 1.443 -0.784 0 N-CA-C 105.659 -1.978 . . . . 0.0 105.659 -175.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -104.7 155.36 18.94 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.09 1.356 . . . . 0.0 108.063 -174.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 5.1 m -70.13 150.15 46.83 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.708 0.803 . . . . 0.0 110.598 176.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -168.7 -174.47 37.38 Favored Glycine 0 C--N 1.336 0.55 0 N-CA-C 111.343 -0.703 . . . . 0.0 111.343 173.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.36 142.75 51.32 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 171.485 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 16.4 mt -73.54 132.2 33.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 106.217 -1.772 . . . . 0.0 106.217 179.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 79.0 p -107.71 -36.88 6.3 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 117.99 0.359 . . . . 0.0 110.607 -169.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -165.92 142.02 5.07 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.947 0.899 . . . . 0.0 110.997 175.153 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 6.9 t70 -69.04 102.17 1.56 Allowed 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 125.571 1.549 . . . . 0.0 107.579 169.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.4 t -64.63 -49.81 78.65 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 -176.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 144.39 168.48 12.57 Favored Glycine 0 C--N 1.334 0.469 0 N-CA-C 109.587 -1.405 . . . . 0.0 109.587 173.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 60.76 4.83 0.82 Allowed 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 114.787 1.402 . . . . 0.0 114.787 178.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 109.16 -9.33 33.53 Favored Glycine 0 CA--C 1.526 0.73 0 C-N-CA 124.762 1.172 . . . . 0.0 111.109 -173.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -74.93 137.99 42.04 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 120.276 2.038 . . . . 0.0 108.336 170.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -128.98 136.68 50.67 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 104.784 -2.302 . . . . 0.0 104.784 169.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 29.6 ttpt -83.75 141.56 31.34 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 177.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.1 mm? -125.21 119.83 29.6 Favored 'General case' 0 CA--C 1.508 -0.646 0 C-N-CA 124.641 1.176 . . . . 0.0 108.336 -170.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 29.3 tp -83.66 94.96 8.22 Favored 'General case' 0 CA--C 1.51 -0.58 0 N-CA-C 104.185 -2.524 . . . . 0.0 104.185 169.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -58.17 142.92 45.88 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 171.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -62.25 -23.01 66.43 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 122.661 0.384 . . . . 0.0 111.231 178.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 29.8 t70 -61.79 -20.2 63.34 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.365 1.466 . . . . 0.0 112.72 173.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 116.65 -2.01 20.06 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 126.167 1.841 . . . . 0.0 112.966 170.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -92.28 159.82 15.43 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 124.871 1.268 . . . . 0.0 110.167 -171.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -139.65 117.11 11.37 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 -177.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 51.0 m -144.6 159.24 43.12 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 124.721 1.208 . . . . 0.0 108.45 177.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -73.76 143.92 45.86 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 171.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 98.8 t -139.92 141.03 34.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 N-CA-C 106.494 -1.669 . . . . 0.0 106.494 171.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 5.4 mt -77.65 149.81 34.65 Favored 'General case' 0 CA--C 1.51 -0.596 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.811 177.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -52.45 -40.29 53.91 Favored Glycine 0 C--N 1.335 0.508 0 C-N-CA 124.814 1.197 . . . . 0.0 112.686 -176.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.67 -31.01 64.01 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 117.801 0.8 . . . . 0.0 112.001 177.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -100.45 23.82 9.74 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.525 1.53 . . . . 0.0 112.841 -172.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -126.5 131.05 71.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 104.809 -2.293 . . . . 0.0 104.809 177.461 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 52.3 mt -112.95 110.76 21.05 Favored 'General case' 0 CA--C 1.522 -0.116 0 N-CA-C 104.696 -2.335 . . . . 0.0 104.696 -174.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.71 -3.18 20.82 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -168.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 23.3 p -131.83 53.33 2.0 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 105.818 -1.919 . . . . 0.0 105.818 -177.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 50.9 t0 -118.45 57.58 3.04 Favored Pre-proline 0 CA--C 1.542 0.649 0 N-CA-C 117.032 2.234 . . . . 0.0 117.032 -168.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -70.34 121.97 8.51 Favored 'Trans proline' 0 CA--C 1.544 0.98 1 N-CA-C 99.939 -4.677 . . . . 0.0 99.939 165.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 5.1 mm -59.34 121.26 55.05 Favored Pre-proline 0 N--CA 1.468 0.429 0 CA-C-N 119.523 1.056 . . . . 0.0 109.031 -168.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -61.84 144.78 97.13 Favored 'Trans proline' 0 N--CA 1.452 -0.953 0 C-N-CA 121.948 1.766 . . . . 0.0 110.592 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 4.0 mp -59.89 147.84 37.04 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 169.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 23.2 t70 74.2 -4.6 2.26 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 127.002 2.121 . . . . 0.0 113.551 -175.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 20.2 m -68.23 135.07 51.42 Favored 'General case' 0 C--O 1.239 0.526 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 169.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -83.14 135.48 34.79 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 171.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 2.4 m -147.67 163.59 6.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 C-N-CA 124.506 1.122 . . . . 0.0 109.207 -171.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 7.8 m -87.84 139.94 30.01 Favored 'General case' 0 N--CA 1.442 -0.847 0 N-CA-C 105.406 -2.072 . . . . 0.0 105.406 169.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -108.05 136.79 47.15 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 106.486 -1.672 . . . . 0.0 106.486 171.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -137.45 100.36 4.21 Favored 'General case' 0 CA--C 1.516 -0.346 0 C-N-CA 123.455 0.702 . . . . 0.0 109.824 -169.479 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 13.5 m -61.18 121.95 13.82 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 104.248 -2.501 . . . . 0.0 104.248 168.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -44.68 -30.2 0.89 Allowed 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 126.09 1.756 . . . . 0.0 115.546 -168.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 28.4 t70 -68.63 -48.13 64.87 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 118.592 0.633 . . . . 0.0 111.569 -179.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -179.92 -25.82 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 173.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -54.93 121.26 8.27 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 119.168 0.894 . . . . 0.0 111.426 -168.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 10.6 t80 -116.25 129.34 56.23 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 124.828 1.251 . . . . 0.0 110.956 -168.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 2.8 p -151.97 177.62 10.27 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.191 1.396 . . . . 0.0 109.747 170.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -135.76 157.03 47.87 Favored 'General case' 0 N--CA 1.466 0.347 0 O-C-N 120.838 -1.164 . . . . 0.0 111.048 172.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.65 -160.95 20.38 Favored Glycine 0 CA--C 1.528 0.885 0 C-N-CA 126.628 2.061 . . . . 0.0 108.773 -171.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.9 t -130.12 142.04 44.81 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-N 118.633 1.217 . . . . 0.0 109.591 -173.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 90.4 t -65.85 126.12 24.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 171.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 82.3 mttt -130.44 18.87 5.29 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.458 1.026 . . . . 0.0 111.628 169.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 178.39 179.38 48.29 Favored Glycine 0 C--N 1.337 0.628 0 O-C-N 121.774 -0.579 . . . . 0.0 111.978 171.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 9.9 m80 -142.84 155.96 44.87 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 126.181 1.792 . . . . 0.0 110.992 -171.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 50.3 ttt180 . . . . . 0 N--CA 1.462 0.127 0 C-N-CA 125.309 1.444 . . . . 0.0 107.41 170.676 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 44.7 tp . . . . . 0 N--CA 1.45 -0.429 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -127.69 158.07 38.59 Favored 'General case' 0 CA--C 1.516 -0.362 0 C-N-CA 125.247 1.419 . . . . 0.0 109.587 -173.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -141.78 129.09 21.12 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 106.63 -1.618 . . . . 0.0 106.63 -172.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.2 p -86.6 98.27 11.0 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 104.921 -2.252 . . . . 0.0 104.921 169.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 41.6 mm -79.98 127.99 38.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 N-CA-C 106.46 -1.681 . . . . 0.0 106.46 178.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -84.85 125.13 32.35 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 104.055 -2.572 . . . . 0.0 104.055 168.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 30.8 ttpt -144.74 135.07 24.3 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 105.015 -2.217 . . . . 0.0 105.015 -173.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 53.7 27.26 6.68 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.528 0.731 . . . . 0.0 112.467 -175.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 76.26 17.77 79.75 Favored Glycine 0 CA--C 1.532 1.108 0 O-C-N 121.603 -0.685 . . . . 0.0 113.42 176.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -140.71 162.23 35.89 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 124.755 1.222 . . . . 0.0 108.339 176.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -101.78 143.57 31.53 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 119.363 0.983 . . . . 0.0 109.917 -170.246 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -144.45 131.7 20.69 Favored 'General case' 0 C--N 1.334 -0.069 0 N-CA-C 106.244 -1.762 . . . . 0.0 106.244 -173.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 90.6 m95 -80.8 130.56 35.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 118.81 0.732 . . . . 0.0 109.91 176.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -133.1 159.5 39.92 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.743 1.217 . . . . 0.0 107.905 169.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 17.0 ptmt -101.36 164.41 11.79 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.647 1.179 . . . . 0.0 109.859 -176.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 61.3 ttp85 -42.3 -55.46 3.34 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.651 1.18 . . . . 0.0 113.632 179.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -71.1 -12.13 61.33 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 121.095 1.771 . . . . 0.0 114.374 -178.4 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -90.25 -16.29 29.65 Favored 'General case' 0 C--O 1.223 -0.292 0 C-N-CA 124.567 1.147 . . . . 0.0 110.757 171.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 62.0 t -109.15 91.04 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.656 0 N-CA-C 104.658 -2.349 . . . . 0.0 104.658 -176.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 6.5 pt -118.06 156.49 19.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 114.484 -1.235 . . . . 0.0 107.757 -169.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 3.4 mt -105.57 118.19 35.94 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 -170.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.33 145.61 21.6 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 106.33 -1.73 . . . . 0.0 106.33 169.533 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.7 pp -54.33 -35.39 62.64 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.568 1.076 . . . . 0.0 113.352 -169.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 30.3 tp10 -67.73 -39.23 84.28 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 121.682 -0.636 . . . . 0.0 110.183 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -63.19 -51.98 64.13 Favored 'General case' 0 C--O 1.225 -0.236 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 174.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -59.39 -33.43 76.03 Favored Glycine 0 C--N 1.338 0.675 0 C-N-CA 124.185 0.898 . . . . 0.0 112.243 -175.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -57.72 -45.52 85.65 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 118.436 1.118 . . . . 0.0 111.196 176.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 18.7 mtt-85 -62.36 -19.39 63.32 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.065 0.546 . . . . 0.0 112.324 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.1 mp -94.26 -29.66 14.95 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.04 0.936 . . . . 0.0 110.398 173.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -56.4 -38.77 71.96 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.713 1.205 . . . . 0.0 112.049 -175.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -59.23 -21.18 59.15 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 118.189 -0.91 . . . . 0.0 113.382 177.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -114.36 -48.03 2.9 Favored 'General case' 0 C--N 1.347 0.491 0 CA-C-N 119.987 1.267 . . . . 0.0 112.046 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 9.1 m-30 -90.78 -11.07 40.58 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 124.421 1.088 . . . . 0.0 112.358 -170.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -53.57 131.51 43.13 Favored Glycine 0 CA--C 1.529 0.933 0 C-N-CA 125.396 1.474 . . . . 0.0 110.378 176.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.235 0.341 0 CA-C-N 118.187 0.993 . . . . 0.0 109.679 174.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 95.0 m-85 . . . . . 0 N--CA 1.467 0.416 0 N-CA-C 114.074 1.139 . . . . 0.0 114.074 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 6.4 t -57.04 114.51 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.556 0 C-N-CA 125.679 1.592 . . . . 0.0 108.806 -176.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 115.18 -22.5 12.2 Favored Glycine 0 CA--C 1.531 1.092 0 C-N-CA 125.127 1.346 . . . . 0.0 112.826 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 9.1 mp -74.23 140.48 45.08 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.749 1.274 . . . . 0.0 111.022 -174.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 54.4 mtp180 -81.65 126.71 32.09 Favored 'General case' 0 C--O 1.23 0.048 0 N-CA-C 105.801 -1.926 . . . . 0.0 105.801 168.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 15.9 m -143.77 -175.18 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 C-N-CA 125.139 1.376 . . . . 0.0 107.96 -173.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.7 t -121.41 145.75 27.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 105.661 -1.977 . . . . 0.0 105.661 170.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -147.4 152.42 38.13 Favored 'General case' 0 CA--C 1.519 -0.247 0 C-N-CA 124.18 0.992 . . . . 0.0 109.692 -169.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 78.0 tttt -83.81 130.38 34.93 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 107.618 -1.252 . . . . 0.0 107.618 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 20.8 t-105 . . . . . 0 CA--C 1.539 0.525 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 169.633 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 10.1 m-30 . . . . . 0 N--CA 1.452 -0.354 0 CA-C-O 121.926 0.869 . . . . 0.0 109.923 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -94.49 107.98 19.94 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 105.225 -2.139 . . . . 0.0 105.225 -177.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -97.65 149.23 22.49 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -176.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 4.3 m -69.85 148.55 48.93 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.441 0.696 . . . . 0.0 109.772 175.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -173.16 -174.64 40.38 Favored Glycine 0 C--N 1.334 0.441 0 O-C-N 121.477 -0.764 . . . . 0.0 112.165 -177.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -129.92 129.22 43.59 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 125.919 1.687 . . . . 0.0 107.085 -172.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 23.3 mt -73.21 130.81 35.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 106.795 -1.558 . . . . 0.0 106.795 179.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 58.6 p -107.43 -35.78 6.67 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 123.231 0.613 . . . . 0.0 110.727 -170.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -167.81 141.47 3.41 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.744 0.818 . . . . 0.0 111.298 175.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 6.8 t0 -68.93 102.94 1.69 Allowed 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 124.994 1.318 . . . . 0.0 107.712 168.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.6 t -65.59 -50.84 69.24 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 -175.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 149.5 163.19 10.87 Favored Glycine 0 C--N 1.34 0.764 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 178.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.74 10.7 0.77 Allowed 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 115.205 1.558 . . . . 0.0 115.205 177.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 104.06 -5.92 46.6 Favored Glycine 0 C--N 1.337 0.621 0 C-N-CA 124.831 1.205 . . . . 0.0 111.53 -176.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 10.8 mtpp -74.94 135.31 41.41 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 120.36 2.08 . . . . 0.0 106.816 170.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -126.24 136.85 53.3 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 105.09 -2.189 . . . . 0.0 105.09 169.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -83.04 137.93 33.93 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 177.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.2 mm? -124.51 118.41 26.53 Favored 'General case' 0 CA--C 1.511 -0.543 0 C-N-CA 125.167 1.387 . . . . 0.0 108.387 -169.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 31.2 tp -83.79 93.45 7.97 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 104.353 -2.462 . . . . 0.0 104.353 168.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -56.14 146.91 21.72 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 172.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -66.86 -20.75 65.98 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.624 -171.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 36.3 p-10 -78.84 2.74 18.97 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.806 1.243 . . . . 0.0 113.29 171.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 105.34 -5.99 41.88 Favored Glycine 0 CA--C 1.532 1.108 0 C-N-CA 125.442 1.496 . . . . 0.0 114.992 169.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -85.11 157.06 20.79 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 118.326 1.063 . . . . 0.0 110.215 -172.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -139.07 117.66 12.17 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 -174.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 62.1 m -143.6 161.38 38.66 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 125.16 1.384 . . . . 0.0 108.141 176.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -85.0 142.24 29.75 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 171.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 80.4 t -142.19 137.7 29.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 N-CA-C 107.486 -1.301 . . . . 0.0 107.486 -178.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.7 mt -74.25 152.66 39.66 Favored 'General case' 0 C--O 1.22 -0.471 0 C-N-CA 123.16 0.584 . . . . 0.0 111.954 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -57.73 -38.07 86.54 Favored Glycine 0 C--N 1.335 0.501 0 C-N-CA 124.317 0.96 . . . . 0.0 112.629 -176.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -20.12 58.48 Favored 'General case' 0 C--O 1.223 -0.332 0 O-C-N 121.884 -0.774 . . . . 0.0 112.451 175.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -104.9 21.5 16.9 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.411 1.484 . . . . 0.0 111.892 -175.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -132.59 137.24 54.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 N-CA-C 106.308 -1.738 . . . . 0.0 106.308 -179.187 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 54.9 mt -117.2 114.99 24.45 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 127.313 2.245 . . . . 0.0 105.154 -176.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.55 -4.64 15.38 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 116.475 2.028 . . . . 0.0 116.475 -169.101 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 24.5 p -131.57 52.18 2.09 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 106.185 -1.783 . . . . 0.0 106.185 -177.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 52.6 t0 -115.78 65.01 2.42 Favored Pre-proline 0 CA--C 1.537 0.45 0 N-CA-C 116.609 2.077 . . . . 0.0 116.609 -168.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -72.46 119.19 5.97 Favored 'Trans proline' 0 CA--C 1.547 1.146 1 N-CA-C 101.015 -4.263 . . . . 0.0 101.015 166.02 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 9.9 mm -58.62 120.15 42.78 Favored Pre-proline 0 CA--C 1.538 0.491 0 CA-C-O 118.211 -0.899 . . . . 0.0 108.898 -168.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -61.9 144.09 96.25 Favored 'Trans proline' 0 N--CA 1.451 -1.006 0 C-N-CA 121.892 1.728 . . . . 0.0 110.393 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 4.0 mp -59.65 148.15 34.82 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 169.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 18.5 t70 74.14 -3.6 2.49 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.723 2.009 . . . . 0.0 113.686 -175.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 20.5 m -70.79 134.61 47.54 Favored 'General case' 0 C--O 1.239 0.501 0 O-C-N 120.931 -1.106 . . . . 0.0 108.191 170.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -77.15 136.23 38.59 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 169.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 1.6 m -147.79 163.65 6.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 124.551 1.141 . . . . 0.0 109.799 -175.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 8.7 m -88.69 143.88 26.64 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 105.984 -1.858 . . . . 0.0 105.984 169.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -119.08 140.67 49.7 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 125.609 1.563 . . . . 0.0 107.317 175.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -139.0 117.12 11.76 Favored 'General case' 0 CA--C 1.517 -0.326 0 C-N-CA 123.786 0.834 . . . . 0.0 110.098 -169.524 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 20.1 m -65.19 150.92 47.35 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 168.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -67.92 15.32 0.05 OUTLIER 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 126.316 1.847 . . . . 0.0 114.798 -169.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 36.0 t70 -123.49 -57.47 1.66 Allowed 'General case' 0 CA--C 1.532 0.277 0 O-C-N 121.114 -0.991 . . . . 0.0 111.094 178.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -167.17 -21.51 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 114.968 1.47 . . . . 0.0 114.968 169.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -55.84 122.71 12.12 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 118.755 0.707 . . . . 0.0 110.058 -170.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 1.4 t80 -121.14 131.98 54.58 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 125.334 1.454 . . . . 0.0 109.964 -168.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 2.2 p -152.09 177.89 10.03 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.692 1.597 . . . . 0.0 109.026 173.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -134.95 157.15 47.65 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 120.941 -1.099 . . . . 0.0 111.054 173.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.09 -160.11 17.61 Favored Glycine 0 CA--C 1.528 0.886 0 C-N-CA 126.686 2.088 . . . . 0.0 108.925 -172.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.9 t -130.95 143.58 40.42 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-N 118.481 1.14 . . . . 0.0 109.802 -174.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 58.0 t -66.3 127.01 26.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 174.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -132.71 20.43 4.23 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 119.132 0.878 . . . . 0.0 111.79 173.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 172.98 179.58 43.76 Favored Glycine 0 C--N 1.332 0.339 0 N-CA-C 111.044 -0.823 . . . . 0.0 111.044 169.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 9.8 m80 -141.55 155.09 45.8 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 126.262 1.825 . . . . 0.0 111.147 -174.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 46.0 ttt180 . . . . . 0 N--CA 1.46 0.072 0 C-N-CA 125.7 1.6 . . . . 0.0 107.167 171.761 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 36.6 tp . . . . . 0 N--CA 1.448 -0.533 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -127.76 157.42 40.42 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 125.327 1.451 . . . . 0.0 109.386 -173.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -142.57 125.69 16.36 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 105.203 -2.147 . . . . 0.0 105.203 -170.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.1 p -85.88 92.18 8.57 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 105.459 -2.052 . . . . 0.0 105.459 170.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 43.0 mm -74.57 129.14 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -82.85 122.21 27.94 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 103.715 -2.698 . . . . 0.0 103.715 168.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -144.28 137.67 27.4 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 104.864 -2.273 . . . . 0.0 104.864 -176.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 54.18 27.51 7.86 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.556 0.742 . . . . 0.0 112.305 -174.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 81.67 12.24 81.87 Favored Glycine 0 CA--C 1.532 1.122 0 CA-C-O 119.017 -0.88 . . . . 0.0 113.607 175.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -143.35 154.58 43.89 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 118.563 1.181 . . . . 0.0 109.485 -178.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 77.5 mtm180 -84.63 145.17 28.14 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 121.096 -1.002 . . . . 0.0 110.214 -176.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.4 tmtm? -143.57 131.15 21.18 Favored 'General case' 0 C--O 1.227 -0.114 0 C-N-CA 126.441 1.896 . . . . 0.0 106.0 -176.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 90.3 m95 -80.57 131.23 35.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 119.008 0.822 . . . . 0.0 109.936 178.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -133.41 162.88 30.65 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.472 1.509 . . . . 0.0 107.451 169.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -110.05 167.65 10.02 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.781 1.232 . . . . 0.0 110.695 -174.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 21.1 ttp180 -51.69 -45.82 63.64 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 120.796 -1.19 . . . . 0.0 114.076 -174.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 2.0 ppp? -72.02 -19.21 61.89 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 120.633 1.56 . . . . 0.0 113.008 177.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -85.49 -13.25 49.68 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 118.145 -0.931 . . . . 0.0 111.2 175.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 67.2 t -113.29 92.07 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 N-CA-C 105.948 -1.871 . . . . 0.0 105.948 -175.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 12.7 pt -109.93 161.71 8.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 -174.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 4.6 mt -108.32 123.63 49.11 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 -171.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.25 137.52 58.11 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 106.014 -1.847 . . . . 0.0 106.014 168.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 3.1 pp -54.56 -36.14 64.02 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -169.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -62.28 -39.6 93.49 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.617 -0.677 . . . . 0.0 109.801 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 42.9 mm-40 -75.98 -45.64 33.74 Favored 'General case' 0 C--O 1.222 -0.353 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 -178.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -60.33 -29.68 69.49 Favored Glycine 0 CA--C 1.524 0.634 0 C-N-CA 123.724 0.678 . . . . 0.0 111.864 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -58.15 -39.93 80.09 Favored 'General case' 0 N--CA 1.464 0.243 0 O-C-N 121.373 -1.075 . . . . 0.0 112.275 173.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -59.97 -21.81 61.71 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 119.029 0.832 . . . . 0.0 111.725 177.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 7.5 mp -96.25 -26.89 15.25 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 124.568 1.147 . . . . 0.0 110.738 178.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 65.2 ttp85 -56.28 -39.31 72.46 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 119.799 1.181 . . . . 0.0 111.718 -177.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -59.29 -20.32 53.42 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 178.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -114.58 -48.87 2.84 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-N 119.893 1.224 . . . . 0.0 111.893 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.1 m-30 -91.49 -9.56 44.01 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.66 1.184 . . . . 0.0 112.34 -169.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -54.44 131.39 46.12 Favored Glycine 0 CA--C 1.527 0.818 0 C-N-CA 125.402 1.477 . . . . 0.0 111.018 177.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.467 0.405 0 CA-C-N 118.53 1.165 . . . . 0.0 109.784 174.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 91.4 m-85 . . . . . 0 N--CA 1.469 0.49 0 N-CA-C 113.977 1.103 . . . . 0.0 113.977 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 6.7 t -58.36 115.85 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 C-N-CA 125.382 1.473 . . . . 0.0 108.602 -174.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 111.76 -19.87 23.02 Favored Glycine 0 CA--C 1.532 1.11 0 C-N-CA 125.279 1.418 . . . . 0.0 112.807 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 9.7 mp -75.6 137.68 40.94 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 118.932 1.366 . . . . 0.0 110.465 -172.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 54.2 mtm180 -77.25 126.86 31.62 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 106.318 -1.734 . . . . 0.0 106.318 168.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 19.7 m -147.49 -175.81 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 125.627 1.571 . . . . 0.0 107.674 -172.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 3.5 t -122.13 144.22 32.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 106.044 -1.835 . . . . 0.0 106.044 171.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -146.79 152.88 39.48 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 124.46 1.104 . . . . 0.0 109.033 -169.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 77.7 tttt -83.83 129.74 34.93 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 179.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 23.2 t-105 . . . . . 0 CA--C 1.537 0.45 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 169.559 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 9.7 m-30 . . . . . 0 C--O 1.236 0.392 0 CA-C-O 121.55 0.69 . . . . 0.0 109.489 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 2.2 m-30 -94.16 108.21 20.09 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 105.533 -2.025 . . . . 0.0 105.533 -174.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -98.66 155.5 17.29 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.51 1.124 . . . . 0.0 108.311 -176.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 14.8 m -78.89 148.7 32.65 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.975 -0.453 . . . . 0.0 110.323 178.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -170.97 -179.5 42.2 Favored Glycine 0 CA--C 1.522 0.499 0 O-C-N 122.012 -0.43 . . . . 0.0 112.16 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.57 137.23 52.14 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 106.554 -1.647 . . . . 0.0 106.554 178.005 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 15.1 mt -72.02 135.7 27.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 106.428 -1.693 . . . . 0.0 106.428 173.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 60.7 p -111.24 -37.7 5.23 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 123.061 0.544 . . . . 0.0 110.877 -170.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -165.12 142.0 5.81 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.715 0.806 . . . . 0.0 111.058 174.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 7.3 t70 -69.31 102.27 1.69 Allowed 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.943 1.297 . . . . 0.0 108.086 169.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -65.35 -49.67 77.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 -175.585 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 145.96 164.94 11.15 Favored Glycine 0 C--N 1.34 0.803 0 N-CA-C 109.894 -1.282 . . . . 0.0 109.894 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 59.24 7.22 0.85 Allowed 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 114.951 1.463 . . . . 0.0 114.951 178.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 105.65 -7.53 42.46 Favored Glycine 0 C--O 1.22 -0.726 0 C-N-CA 124.487 1.041 . . . . 0.0 111.443 -173.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -75.45 137.44 40.96 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 120.099 1.949 . . . . 0.0 107.65 169.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -127.66 139.63 52.6 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 104.614 -2.365 . . . . 0.0 104.614 169.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 12.7 ttpp -86.2 141.54 29.25 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 178.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.2 mm? -125.06 118.98 27.38 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -169.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 38.1 tp -82.37 92.67 7.04 Favored 'General case' 0 CA--C 1.511 -0.528 0 N-CA-C 103.868 -2.641 . . . . 0.0 103.868 169.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -56.95 146.11 27.92 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 170.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -65.05 -19.33 65.94 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -169.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 36.6 p-10 -79.24 -0.75 33.42 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.145 1.378 . . . . 0.0 113.283 173.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 108.75 -5.82 32.9 Favored Glycine 0 CA--C 1.532 1.107 0 C-N-CA 125.497 1.522 . . . . 0.0 114.298 169.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -80.2 155.38 27.41 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 118.114 0.957 . . . . 0.0 110.362 -174.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -139.7 122.26 16.25 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 124.599 1.16 . . . . 0.0 109.13 176.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 99.9 m -141.09 162.93 34.32 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 125.595 1.558 . . . . 0.0 107.614 170.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -74.52 142.66 44.77 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 170.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 96.4 t -139.38 135.95 40.84 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.237 0 N-CA-C 106.902 -1.518 . . . . 0.0 106.902 172.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 7.7 mt -72.81 149.78 43.32 Favored 'General case' 0 C--O 1.218 -0.554 0 C-N-CA 123.381 0.672 . . . . 0.0 111.284 178.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -57.99 -34.04 70.97 Favored Glycine 0 CA--C 1.522 0.52 0 CA-C-O 119.434 -0.648 . . . . 0.0 113.621 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1530 ' ' LYS . . . . . . . . . . . . 0.25 0.0 OUTLIER -71.39 8.43 1.05 Allowed 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 118.66 1.23 . . . . 0.0 112.919 172.477 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -129.76 22.85 5.4 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.209 1.803 . . . . 0.0 111.792 175.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 1.9 mt -132.06 140.72 47.25 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 O-C-N 120.625 -1.297 . . . . 0.0 107.881 176.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 73.5 mt -119.96 117.71 28.77 Favored 'General case' 0 C--O 1.227 -0.087 0 C-N-CA 127.783 2.433 . . . . 0.0 104.562 -178.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.15 -4.16 13.83 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 116.712 2.116 . . . . 0.0 116.712 -169.289 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 24.8 p -131.62 51.83 2.11 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 105.72 -1.956 . . . . 0.0 105.72 -178.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 50.2 t0 -117.82 59.87 3.23 Favored Pre-proline 0 CA--C 1.538 0.486 0 N-CA-C 116.326 1.973 . . . . 0.0 116.326 -168.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -70.8 120.82 7.36 Favored 'Trans proline' 0 CA--C 1.543 0.973 1 N-CA-C 100.198 -4.578 . . . . 0.0 100.198 165.656 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 11.5 mm -59.14 123.41 69.42 Favored Pre-proline 0 CA--C 1.537 0.471 0 CA-C-N 119.065 0.848 . . . . 0.0 109.24 -168.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -60.4 143.87 99.49 Favored 'Trans proline' 0 N--CA 1.449 -1.099 0 C-N-CA 121.939 1.76 . . . . 0.0 110.311 177.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 4.1 mp -59.44 147.82 35.09 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 169.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 23.0 t70 75.96 -5.93 2.08 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 127.343 2.257 . . . . 0.0 113.5 -175.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 19.0 m -68.93 135.8 51.57 Favored 'General case' 0 C--N 1.343 0.318 0 O-C-N 120.835 -1.166 . . . . 0.0 108.243 170.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -78.5 138.44 38.43 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 170.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 1.8 m -146.46 160.65 10.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 C-N-CA 124.546 1.138 . . . . 0.0 109.572 -175.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 8.8 m -90.23 132.35 35.55 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 105.563 -2.014 . . . . 0.0 105.563 169.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -100.68 146.26 27.41 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 169.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 3.9 mt -138.45 102.92 4.75 Favored 'General case' 0 CA--C 1.511 -0.539 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 -179.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 1.3 m -61.66 139.19 58.32 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 105.18 -2.156 . . . . 0.0 105.18 168.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -49.7 14.72 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.851 1 C-N-CA 132.118 4.167 . . . . 0.0 119.728 -168.653 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 26.9 t70 -119.93 -70.79 0.77 Allowed 'General case' 0 C--O 1.233 0.23 0 CA-C-N 119.741 1.155 . . . . 0.0 109.285 171.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -162.57 25.55 0.1 Allowed 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 119.205 0.911 . . . . 0.0 113.125 170.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -84.16 73.42 10.42 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 120.743 -1.223 . . . . 0.0 109.783 -174.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 18.4 t80 -60.38 128.89 38.92 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 125.723 1.609 . . . . 0.0 110.328 171.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 2.9 p -152.66 177.63 10.47 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.323 1.849 . . . . 0.0 108.121 169.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -139.84 157.36 45.84 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 120.684 1.584 . . . . 0.0 111.699 173.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -172.84 -160.15 20.86 Favored Glycine 0 CA--C 1.525 0.705 0 C-N-CA 126.402 1.953 . . . . 0.0 108.82 -172.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.0 t -131.1 142.64 43.02 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.378 0 CA-C-N 118.612 1.206 . . . . 0.0 109.085 -173.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 79.3 t -64.69 125.81 22.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 172.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 83.0 mttt -130.56 19.66 5.19 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 119.304 0.956 . . . . 0.0 111.72 170.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 177.11 179.59 47.54 Favored Glycine 0 CA--C 1.525 0.702 0 O-C-N 121.778 -0.576 . . . . 0.0 111.956 170.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 8.5 m80 -142.67 153.56 43.52 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 126.295 1.838 . . . . 0.0 111.221 -171.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 . . . . . 0 N--CA 1.463 0.222 0 C-N-CA 125.617 1.567 . . . . 0.0 107.347 170.057 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 33.9 tp . . . . . 0 N--CA 1.447 -0.589 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -129.97 158.22 40.17 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 125.657 1.583 . . . . 0.0 108.745 -176.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -141.15 130.21 23.31 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 -173.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.55 95.55 10.08 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 104.955 -2.239 . . . . 0.0 104.955 169.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 38.2 mm -78.32 128.05 38.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 N-CA-C 106.405 -1.702 . . . . 0.0 106.405 178.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -84.45 119.8 25.56 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 103.656 -2.72 . . . . 0.0 103.656 168.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 23.9 ttpt -142.2 132.75 25.28 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 105.027 -2.212 . . . . 0.0 105.027 -170.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 51.94 28.05 4.86 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.543 0.737 . . . . 0.0 112.719 -174.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 78.43 18.91 75.11 Favored Glycine 0 CA--C 1.531 1.051 0 CA-C-O 119.263 -0.743 . . . . 0.0 113.116 176.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -135.69 147.68 48.6 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 118.461 1.13 . . . . 0.0 108.745 175.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -82.75 138.35 34.07 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 176.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -142.46 130.71 22.14 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 106.173 -1.788 . . . . 0.0 106.173 -173.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 87.7 m95 -80.41 129.34 34.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 118.507 0.594 . . . . 0.0 109.444 178.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -131.51 161.55 32.32 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.986 1.314 . . . . 0.0 107.972 169.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -104.8 166.69 10.22 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.892 1.277 . . . . 0.0 110.097 -176.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 19.1 ttp180 -50.64 -44.67 57.51 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 -177.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 2.2 ppp? -74.38 -18.15 60.71 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 121.735 2.061 . . . . 0.0 113.173 177.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -86.49 -8.3 57.69 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 118.311 -0.852 . . . . 0.0 111.174 174.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 92.2 t -119.57 97.21 4.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 -177.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 9.6 pt -113.91 164.41 10.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 -173.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 10.1 mt -110.41 124.82 52.44 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 -175.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.44 143.58 39.81 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 169.303 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 3.3 pp -56.88 -34.08 67.51 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.288 0.949 . . . . 0.0 112.3 -169.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -67.07 -36.17 81.42 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.944 -0.472 . . . . 0.0 110.424 179.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -69.27 -50.08 50.15 Favored 'General case' 0 C--O 1.225 -0.229 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 175.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -56.68 -32.99 62.17 Favored Glycine 0 C--N 1.337 0.625 0 C-N-CA 123.725 0.679 . . . . 0.0 112.503 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -59.37 -43.49 92.87 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 118.235 1.017 . . . . 0.0 111.53 175.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 -64.91 -12.18 46.31 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.766 0.827 . . . . 0.0 111.702 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 9.1 mp -103.94 -23.41 13.36 Favored 'General case' 0 C--N 1.343 0.295 0 C-N-CA 124.881 1.272 . . . . 0.0 111.329 176.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 51.2 mtm180 -55.95 -38.63 70.61 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 121.24 1.836 . . . . 0.0 111.067 178.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -57.87 -22.32 47.57 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-O 118.057 -0.973 . . . . 0.0 113.334 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -116.74 -47.68 2.7 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-N 120.013 1.279 . . . . 0.0 112.468 176.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.0 m-30 -93.38 -7.72 43.87 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 124.057 0.943 . . . . 0.0 112.17 -169.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -57.93 131.27 51.97 Favored Glycine 0 CA--C 1.523 0.591 0 C-N-CA 124.938 1.256 . . . . 0.0 110.551 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.467 0.423 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 173.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 93.8 m-85 . . . . . 0 N--CA 1.466 0.342 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 3.7 t -56.67 116.0 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 C-N-CA 125.473 1.509 . . . . 0.0 109.026 -175.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 113.09 -22.76 15.29 Favored Glycine 0 CA--C 1.532 1.119 0 C-N-CA 125.398 1.475 . . . . 0.0 113.332 179.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 9.0 mp -74.74 138.5 42.76 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 118.697 1.249 . . . . 0.0 110.938 -172.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 9.9 mtm180 -78.1 127.17 31.9 Favored 'General case' 0 N--CA 1.462 0.157 0 N-CA-C 105.668 -1.975 . . . . 0.0 105.668 168.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 18.7 m -142.91 -174.72 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 C-N-CA 125.417 1.487 . . . . 0.0 107.535 -176.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 3.4 t -120.38 144.87 27.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 104.672 -2.344 . . . . 0.0 104.672 169.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -145.43 151.23 37.9 Favored 'General case' 0 CA--C 1.516 -0.333 0 C-N-CA 124.498 1.119 . . . . 0.0 109.028 -169.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 73.0 tttt -83.08 128.27 34.33 Favored 'General case' 0 CA--C 1.511 -0.557 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 -178.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 24.3 t-105 . . . . . 0 N--CA 1.449 -0.516 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 169.672 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A 1500 ' ' TYR . . . . . 0.411 ' CG ' ' HA ' ' A' 1589 ' ' SER . 12.8 m-30 . . . . . 0 C--O 1.235 0.306 0 CA-C-O 121.501 0.667 . . . . 0.0 110.776 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -86.6 109.89 19.45 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 173.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -101.05 150.23 23.12 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 124.792 1.237 . . . . 0.0 108.145 179.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 11.2 m -72.92 144.29 47.38 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.381 0.672 . . . . 0.0 109.757 178.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -169.39 -178.09 40.42 Favored Glycine 0 C--N 1.335 0.499 0 O-C-N 121.932 -0.48 . . . . 0.0 111.973 -176.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 38.6 mtmt -127.17 129.45 47.89 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 106.384 -1.71 . . . . 0.0 106.384 -172.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 20.1 mt -73.13 129.4 36.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 59.9 p -104.79 -36.24 7.47 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 123.017 0.527 . . . . 0.0 110.516 -171.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -168.08 141.91 3.34 Favored 'General case' 0 C--N 1.344 0.354 0 C-N-CA 124.113 0.965 . . . . 0.0 111.293 176.065 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 7.6 t70 -69.38 103.63 2.05 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 168.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.5 t -64.95 -50.84 73.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 C-N-CA 123.446 0.698 . . . . 0.0 109.454 -176.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 148.66 163.2 10.71 Favored Glycine 0 C--N 1.341 0.845 0 N-CA-C 109.741 -1.343 . . . . 0.0 109.741 178.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.13 11.06 0.69 Allowed 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 115.229 1.566 . . . . 0.0 115.229 177.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 104.26 -6.21 46.11 Favored Glycine 0 CA--C 1.525 0.691 0 C-N-CA 124.892 1.234 . . . . 0.0 111.585 -176.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 10.9 mtpp -74.94 136.27 41.38 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 120.156 1.978 . . . . 0.0 107.27 170.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -126.06 138.04 53.68 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 105.309 -2.108 . . . . 0.0 105.309 169.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -84.54 137.65 33.2 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 176.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.2 mm? -124.91 118.47 26.37 Favored 'General case' 0 CA--C 1.513 -0.452 0 C-N-CA 124.918 1.287 . . . . 0.0 108.292 -169.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 41.7 tp -84.03 94.47 8.31 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 105.252 -2.129 . . . . 0.0 105.252 169.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -57.69 148.98 22.94 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 172.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -65.19 -21.71 66.8 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -170.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 30.5 p-10 -79.07 -2.02 38.53 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.242 1.417 . . . . 0.0 113.219 173.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 107.01 -3.49 35.58 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 125.402 1.477 . . . . 0.0 113.799 169.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -79.44 154.56 28.85 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 118.3 1.05 . . . . 0.0 109.53 -175.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -140.68 117.52 11.05 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 -176.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 75.9 m -142.73 163.94 31.46 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 125.347 1.459 . . . . 0.0 107.79 173.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -87.25 143.2 27.39 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 173.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 78.2 t -142.05 137.08 30.27 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.264 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 -177.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.5 mt -73.98 151.11 40.39 Favored 'General case' 0 C--O 1.219 -0.55 0 C-N-CA 123.097 0.559 . . . . 0.0 111.943 178.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -58.14 -36.67 83.21 Favored Glycine 0 C--N 1.336 0.553 0 C-N-CA 124.028 0.823 . . . . 0.0 112.759 -176.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.12 -20.8 60.06 Favored 'General case' 0 C--O 1.222 -0.352 0 O-C-N 121.495 -1.003 . . . . 0.0 112.374 175.566 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -103.47 20.21 18.29 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.433 1.493 . . . . 0.0 112.225 -175.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -131.35 136.91 56.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 N-CA-C 106.748 -1.575 . . . . 0.0 106.748 -177.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 63.3 mt -118.09 110.29 17.46 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 128.119 2.568 . . . . 0.0 104.389 -173.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -107.59 -5.74 17.35 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 116.322 1.971 . . . . 0.0 116.322 -169.217 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 21.6 p -129.36 52.34 1.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 105.546 -2.02 . . . . 0.0 105.546 -177.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 56.2 t0 -118.47 61.28 4.5 Favored Pre-proline 0 C--O 1.238 0.482 0 N-CA-C 115.903 1.816 . . . . 0.0 115.903 -168.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -73.27 123.99 9.15 Favored 'Trans proline' 0 CA--C 1.546 1.113 1 N-CA-C 99.959 -4.67 . . . . 0.0 99.959 165.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 5.4 mm -59.84 120.55 50.94 Favored Pre-proline 0 CA--C 1.543 0.69 0 CA-C-N 119.514 1.052 . . . . 0.0 109.491 -168.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -63.31 143.64 89.57 Favored 'Trans proline' 0 N--CA 1.456 -0.684 0 C-N-CA 121.794 1.663 . . . . 0.0 110.442 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 2.9 mp -57.14 146.46 27.77 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 169.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 5.7 t70 74.54 -3.29 2.6 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 126.905 2.082 . . . . 0.0 113.731 -177.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 21.8 m -69.43 136.13 51.18 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 169.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -82.55 135.94 34.97 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 171.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 2.6 m -146.74 162.94 8.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 124.092 0.957 . . . . 0.0 109.507 -172.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 7.0 m -89.49 134.97 33.86 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 105.87 -1.9 . . . . 0.0 105.87 169.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -105.0 140.46 38.15 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 107.096 -1.446 . . . . 0.0 107.096 173.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -137.55 102.43 4.76 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 124.231 1.013 . . . . 0.0 108.958 -169.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 14.7 m -59.97 132.78 55.0 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 105.853 -1.906 . . . . 0.0 105.853 169.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -43.08 -38.13 2.24 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.054 1.742 . . . . 0.0 115.011 -168.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 31.9 t70 -70.97 -52.03 22.14 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.473 0.579 . . . . 0.0 112.324 -177.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -177.33 -19.79 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 115.273 1.583 . . . . 0.0 115.273 175.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -58.35 121.76 11.62 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 119.529 1.058 . . . . 0.0 111.076 -169.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 2.5 t80 -112.15 133.53 54.24 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 125.06 1.344 . . . . 0.0 110.838 -169.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 4.9 p -151.77 177.46 10.38 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.506 1.522 . . . . 0.0 109.913 172.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -135.59 156.02 49.54 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 119.443 1.02 . . . . 0.0 110.363 169.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.76 -160.46 19.3 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 126.418 1.961 . . . . 0.0 108.402 -172.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.1 t -130.32 143.25 41.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 CA-C-N 118.777 1.289 . . . . 0.0 110.175 -173.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 62.5 t -65.5 126.59 24.93 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 172.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -131.49 13.27 5.0 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 119.348 0.976 . . . . 0.0 111.868 171.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -174.48 170.86 44.04 Favored Glycine 0 C--N 1.339 0.726 0 O-C-N 121.186 -0.947 . . . . 0.0 111.527 172.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 11.0 m80 -133.59 155.03 50.39 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 126.134 1.774 . . . . 0.0 109.333 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 37.1 ttt85 . . . . . 0 C--O 1.233 0.231 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 170.252 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 42.7 tp . . . . . 0 N--CA 1.448 -0.552 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -127.74 156.25 42.72 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 125.548 1.539 . . . . 0.0 109.588 -172.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -138.34 130.5 28.63 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 106.417 -1.697 . . . . 0.0 106.417 -175.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.46 101.67 12.82 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 102.82 -3.03 . . . . 0.0 102.82 168.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 32.4 mm -78.94 124.52 37.42 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 N-CA-C 105.107 -2.183 . . . . 0.0 105.107 172.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -82.78 123.22 29.12 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 104.59 -2.374 . . . . 0.0 104.59 169.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -144.81 138.77 27.32 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 105.046 -2.205 . . . . 0.0 105.046 -176.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 51.59 31.93 8.38 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 119.027 0.831 . . . . 0.0 111.901 -172.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 73.04 16.39 78.46 Favored Glycine 0 CA--C 1.533 1.188 0 CA-C-O 118.448 -1.196 . . . . 0.0 114.099 176.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -141.57 154.59 45.54 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 119.069 1.435 . . . . 0.0 110.01 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 42.6 mtm105 -79.64 144.13 34.06 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 -176.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -140.28 129.23 23.38 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 105.346 -2.094 . . . . 0.0 105.346 172.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 83.8 m95 -79.59 130.29 35.24 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 179.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -131.96 166.8 20.85 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.48 1.512 . . . . 0.0 107.394 169.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 59.6 pttt -115.84 167.52 10.87 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.319 1.048 . . . . 0.0 110.292 -176.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 45.7 ttt180 -51.44 -41.63 60.98 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 -169.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 2.3 ppp? -75.38 -17.28 60.25 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-N 121.705 2.048 . . . . 0.0 113.17 178.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -90.94 -5.75 55.02 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 125.569 1.548 . . . . 0.0 110.941 173.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 61.2 t -120.2 92.78 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 N-CA-C 106.179 -1.785 . . . . 0.0 106.179 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 9.9 pt -112.6 163.19 9.96 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 -172.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 2.9 mt -109.86 115.04 29.1 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 -175.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1589 ' ' SER . . . . . 0.411 ' HA ' ' CG ' ' A' 1500 ' ' TYR . 0.1 OUTLIER -53.26 148.59 8.34 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 169.831 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.3 pp -56.27 -35.58 67.63 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 -168.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -67.02 -37.25 83.8 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 121.46 -0.775 . . . . 0.0 110.383 178.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -66.57 -51.53 55.44 Favored 'General case' 0 C--O 1.225 -0.224 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 178.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -66.64 -25.91 72.89 Favored Glycine 0 C--N 1.339 0.727 0 CA-C-O 119.238 -0.756 . . . . 0.0 111.759 -173.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -56.86 -43.96 81.71 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 118.852 1.326 . . . . 0.0 111.838 172.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 3.6 mtt-85 -62.54 -17.23 59.45 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 179.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.6 mp -97.23 -28.64 13.98 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 124.502 1.121 . . . . 0.0 110.42 175.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 64.2 ttp85 -57.27 -38.98 74.73 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 119.327 0.967 . . . . 0.0 111.5 -176.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -58.06 -22.37 49.86 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 118.197 -0.906 . . . . 0.0 113.394 178.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -114.28 -47.08 2.95 Favored 'General case' 0 C--N 1.348 0.527 0 CA-C-N 119.837 1.199 . . . . 0.0 111.864 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 9.7 m-30 -93.0 -9.71 38.89 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 124.403 1.081 . . . . 0.0 112.273 -170.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -52.39 129.37 36.72 Favored Glycine 0 CA--C 1.524 0.652 0 C-N-CA 125.744 1.64 . . . . 0.0 110.523 176.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.343 0.302 0 CA-C-N 118.484 1.142 . . . . 0.0 109.176 173.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 95.8 m-85 . . . . . 0 N--CA 1.465 0.296 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 16.4 t -59.02 115.0 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 C-N-CA 124.93 1.292 . . . . 0.0 108.748 -175.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 116.1 -23.08 10.91 Favored Glycine 0 CA--C 1.532 1.114 0 C-N-CA 125.33 1.443 . . . . 0.0 112.749 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 10.3 mp -74.79 139.91 43.64 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 118.777 1.288 . . . . 0.0 110.954 -172.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 55.8 mtm180 -79.08 127.78 32.44 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 105.467 -2.049 . . . . 0.0 105.467 168.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 17.0 m -146.49 -172.77 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 C-N-CA 124.752 1.221 . . . . 0.0 107.74 -173.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.1 t -121.08 147.44 24.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 105.782 -1.932 . . . . 0.0 105.782 170.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -146.63 150.37 35.32 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 124.057 0.943 . . . . 0.0 108.594 -170.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 70.3 tttt -83.06 134.03 35.05 Favored 'General case' 0 CA--C 1.512 -0.506 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 177.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 28.3 t-105 . . . . . 0 N--CA 1.446 -0.66 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 169.485 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 1500 ' ' TYR . . . . . 0.413 ' CG ' ' HA ' ' A' 1589 ' ' SER . 12.4 m-30 . . . . . 0 C--O 1.237 0.404 0 CA-C-O 121.361 0.6 . . . . 0.0 110.356 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -85.45 107.75 17.56 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 106.686 -1.598 . . . . 0.0 106.686 173.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -99.3 153.79 18.69 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 178.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 6.1 m -67.97 147.32 52.6 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.427 -0.796 . . . . 0.0 110.705 175.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -165.28 -177.64 37.85 Favored Glycine 0 C--N 1.334 0.432 0 CA-C-O 121.728 0.627 . . . . 0.0 111.659 176.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 40.8 mtmt -132.19 126.91 34.69 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 106.105 -1.813 . . . . 0.0 106.105 -173.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 14.2 mt -72.38 133.49 31.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 -177.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 34.5 p -109.75 -30.35 7.9 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 123.354 0.662 . . . . 0.0 109.392 -172.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 13.6 ttt-85 -168.15 149.7 5.2 Favored 'General case' 0 C--N 1.342 0.279 0 C-N-CA 123.01 0.524 . . . . 0.0 112.144 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 7.5 t70 -79.34 110.59 14.77 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 103.553 -2.758 . . . . 0.0 103.553 167.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.6 t -71.38 -50.45 40.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 147.27 163.92 10.86 Favored Glycine 0 C--N 1.34 0.778 0 N-CA-C 109.755 -1.338 . . . . 0.0 109.755 179.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 59.46 7.12 0.91 Allowed 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 115.261 1.578 . . . . 0.0 115.261 177.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 105.33 -6.98 42.88 Favored Glycine 0 CA--C 1.527 0.837 0 C-N-CA 124.502 1.049 . . . . 0.0 111.181 -173.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -75.0 138.47 42.24 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 120.199 1.999 . . . . 0.0 107.975 169.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -127.76 137.04 52.3 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 105.34 -2.096 . . . . 0.0 105.34 169.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -83.52 137.39 33.89 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 177.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.0 mm? -124.62 119.39 28.9 Favored 'General case' 0 CA--C 1.513 -0.479 0 C-N-CA 125.107 1.363 . . . . 0.0 108.693 -169.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 37.4 tp -83.72 95.46 8.41 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 104.1 -2.556 . . . . 0.0 104.1 169.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -58.68 148.86 27.74 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 172.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -68.33 -19.65 64.68 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 112.076 0.398 . . . . 0.0 112.076 -170.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 39.0 p-10 -77.37 -1.96 32.7 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.679 1.192 . . . . 0.0 113.025 171.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 105.47 -3.81 40.06 Favored Glycine 0 CA--C 1.531 1.047 0 C-N-CA 125.629 1.585 . . . . 0.0 113.586 169.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -78.18 158.17 29.12 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.196 0.998 . . . . 0.0 109.53 -176.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -142.4 121.48 12.92 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 -176.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 61.7 m -147.86 166.51 27.38 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 125.578 1.551 . . . . 0.0 107.653 172.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -79.89 144.6 33.26 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 170.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 92.8 t -140.58 139.34 35.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 107.262 -1.385 . . . . 0.0 107.262 174.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.2 mt -76.08 150.46 37.28 Favored 'General case' 0 CA--C 1.511 -0.521 0 C-N-CA 123.036 0.534 . . . . 0.0 111.997 178.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -57.84 -35.13 73.67 Favored Glycine 0 CA--C 1.522 0.473 0 C-N-CA 123.783 0.706 . . . . 0.0 113.42 -177.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.19 -11.21 28.65 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 121.531 -0.982 . . . . 0.0 113.061 174.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -115.36 20.83 14.56 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.156 1.782 . . . . 0.0 111.79 -177.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 1.1 mt -130.81 132.43 64.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 N-CA-C 106.256 -1.757 . . . . 0.0 106.256 178.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 8.3 mp -117.33 120.25 37.62 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 104.132 -2.544 . . . . 0.0 104.132 -175.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.99 -1.37 13.81 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 116.905 2.187 . . . . 0.0 116.905 -168.627 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 24.3 p -132.7 50.42 2.24 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 106.483 -1.673 . . . . 0.0 106.483 -177.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 55.0 t0 -118.35 61.69 4.51 Favored Pre-proline 0 CA--C 1.54 0.574 0 N-CA-C 116.905 2.187 . . . . 0.0 116.905 -168.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -72.39 123.32 9.04 Favored 'Trans proline' 0 CA--C 1.545 1.046 1 N-CA-C 100.848 -4.328 . . . . 0.0 100.848 166.106 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 8.6 mm -60.61 123.65 75.16 Favored Pre-proline 0 CA--C 1.54 0.566 0 CA-C-N 119.839 1.2 . . . . 0.0 109.052 -168.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -63.0 145.3 94.23 Favored 'Trans proline' 0 N--CA 1.454 -0.848 0 C-N-CA 121.92 1.747 . . . . 0.0 110.495 176.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 3.7 mp -58.86 150.73 23.31 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 170.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 22.5 t70 72.68 -5.74 1.79 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 126.3 1.84 . . . . 0.0 113.495 -176.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 23.1 m -68.08 136.46 53.81 Favored 'General case' 0 C--O 1.238 0.485 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 169.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -84.23 136.14 34.06 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 107.377 -1.342 . . . . 0.0 107.377 172.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -146.07 162.54 10.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 C-N-CA 124.847 1.259 . . . . 0.0 108.881 -170.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 5.2 m -88.73 136.17 33.14 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 105.226 -2.139 . . . . 0.0 105.226 169.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -110.78 138.61 46.95 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 175.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.05 109.92 6.74 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 122.955 0.502 . . . . 0.0 111.025 -169.427 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 9.3 m -65.7 121.86 15.95 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 102.634 -3.099 . . . . 0.0 102.634 167.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 51.4 mp0 -47.47 -28.59 2.25 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 126.776 2.03 . . . . 0.0 115.683 -168.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 38.3 t70 -64.09 -46.33 84.74 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.713 0.688 . . . . 0.0 111.698 178.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 174.52 -21.6 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 126.045 1.738 . . . . 0.0 114.238 173.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -59.41 124.5 20.25 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 119.625 1.102 . . . . 0.0 109.631 -169.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 1.3 t80 -120.69 133.27 55.36 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 124.877 1.271 . . . . 0.0 110.413 -169.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 3.7 p -152.18 178.88 9.02 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.581 1.552 . . . . 0.0 109.43 170.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -132.32 157.34 44.71 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 119.809 1.186 . . . . 0.0 111.017 171.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.76 -163.44 24.8 Favored Glycine 0 CA--C 1.526 0.731 0 C-N-CA 126.358 1.932 . . . . 0.0 109.023 -170.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.9 t -130.19 142.78 42.9 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.335 0 CA-C-N 118.803 1.301 . . . . 0.0 109.666 -173.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 70.9 t -65.08 125.16 21.46 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 172.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -129.71 18.57 5.69 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.829 0.852 . . . . 0.0 111.219 173.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 174.68 178.56 44.65 Favored Glycine 0 CA--C 1.522 0.497 0 O-C-N 121.609 -0.682 . . . . 0.0 111.45 171.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 16.3 m80 -142.01 153.99 44.66 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 126.006 1.723 . . . . 0.0 110.899 -171.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 . . . . . 0 N--CA 1.463 0.221 0 C-N-CA 125.43 1.492 . . . . 0.0 107.1 171.095 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 38.2 tp . . . . . 0 N--CA 1.45 -0.446 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -126.08 157.76 37.15 Favored 'General case' 0 CA--C 1.515 -0.389 0 C-N-CA 125.804 1.642 . . . . 0.0 109.384 -174.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -142.02 129.84 21.73 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 106.872 -1.529 . . . . 0.0 106.872 -173.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.97 97.62 11.06 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 104.877 -2.268 . . . . 0.0 104.877 169.565 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 39.8 mm -80.76 129.98 36.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 106.401 -1.703 . . . . 0.0 106.401 178.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -84.63 118.21 24.23 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 103.538 -2.764 . . . . 0.0 103.538 168.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -144.17 133.51 23.19 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 105.11 -2.182 . . . . 0.0 105.11 -169.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 52.26 34.29 14.36 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.808 0.843 . . . . 0.0 111.722 -169.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 71.32 18.62 76.94 Favored Glycine 0 CA--C 1.533 1.162 0 CA-C-O 119.029 -0.873 . . . . 0.0 113.898 175.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -144.36 155.12 43.65 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 118.575 1.188 . . . . 0.0 109.672 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 71.4 mtp85 -82.06 141.06 33.5 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 121.437 -0.789 . . . . 0.0 109.392 -174.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -146.17 130.03 17.21 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 106.359 -1.719 . . . . 0.0 106.359 -177.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 90.3 m95 -81.08 131.63 35.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 118.906 0.775 . . . . 0.0 110.053 176.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -134.34 164.6 27.04 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.557 1.543 . . . . 0.0 107.029 169.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 60.8 pttt -112.56 167.94 10.05 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 121.191 -0.943 . . . . 0.0 110.995 -178.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 67.0 ttp85 -41.36 -56.81 2.35 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.674 1.19 . . . . 0.0 114.056 -176.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 1.5 ppp? -71.57 -16.96 62.32 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 120.662 1.574 . . . . 0.0 113.83 -178.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -87.91 -6.47 58.04 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.614 1.165 . . . . 0.0 111.622 172.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 72.1 t -120.54 90.53 1.62 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 N-CA-C 105.972 -1.862 . . . . 0.0 105.972 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 13.9 pt -109.8 163.27 6.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -172.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 8.2 mt -106.29 114.01 27.88 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 106.892 -1.521 . . . . 0.0 106.892 -177.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1589 ' ' SER . . . . . 0.413 ' HA ' ' CG ' ' A' 1500 ' ' TYR . 0.4 OUTLIER -53.28 146.95 11.01 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 106.765 -1.568 . . . . 0.0 106.765 169.657 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.3 pp -53.92 -37.69 64.09 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 -168.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -71.16 -35.11 71.52 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.488 -0.757 . . . . 0.0 109.82 -177.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -63.98 -51.77 62.78 Favored 'General case' 0 C--N 1.342 0.257 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 174.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -67.16 -28.07 73.64 Favored Glycine 0 C--N 1.339 0.748 0 CA-C-O 119.195 -0.781 . . . . 0.0 111.648 -171.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -56.68 -43.41 80.44 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 118.577 1.188 . . . . 0.0 111.404 175.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 9.0 mtt-85 -60.96 -19.31 60.83 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 7.3 mp -99.84 -26.69 13.94 Favored 'General case' 0 CA--C 1.527 0.086 0 C-N-CA 124.183 0.993 . . . . 0.0 110.463 177.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -61.76 -36.0 79.76 Favored 'General case' 0 C--O 1.224 -0.259 0 O-C-N 121.253 -0.904 . . . . 0.0 110.407 -175.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -59.33 -20.93 58.57 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 118.227 -0.892 . . . . 0.0 113.283 177.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -113.62 -46.9 3.02 Favored 'General case' 0 C--N 1.347 0.477 0 CA-C-N 119.787 1.176 . . . . 0.0 111.499 179.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 12.6 m-30 -90.59 -17.45 26.92 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.086 0.954 . . . . 0.0 112.386 -169.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -44.38 129.61 7.18 Favored Glycine 0 CA--C 1.53 0.989 0 C-N-CA 126.368 1.937 . . . . 0.0 111.728 170.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.468 0.448 0 CA-C-N 118.091 0.946 . . . . 0.0 109.239 174.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 96.3 m-85 . . . . . 0 N--CA 1.468 0.468 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 21.9 t -60.8 113.83 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 C-N-CA 124.824 1.249 . . . . 0.0 108.631 -173.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 116.94 -22.56 10.5 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 125.198 1.38 . . . . 0.0 111.965 179.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 10.7 mp -73.34 135.97 44.39 Favored 'General case' 0 C--N 1.341 0.218 0 CA-C-N 118.868 1.334 . . . . 0.0 110.254 -173.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 54.8 mtm180 -74.32 128.29 35.16 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 105.765 -1.939 . . . . 0.0 105.765 168.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 21.3 m -147.64 -175.07 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 125.028 1.331 . . . . 0.0 107.521 -175.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 5.4 t -120.78 148.37 24.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 104.897 -2.261 . . . . 0.0 104.897 169.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -143.95 152.85 41.62 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 -172.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 75.8 tttt -82.87 138.69 33.81 Favored 'General case' 0 CA--C 1.51 -0.583 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 177.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 31.6 t-105 . . . . . 0 N--CA 1.447 -0.599 0 N-CA-C 105.533 -2.025 . . . . 0.0 105.533 169.23 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 4.3 m-30 . . . . . 0 N--CA 1.478 0.945 0 CA-C-O 121.097 0.475 . . . . 0.0 111.585 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -112.57 118.05 34.03 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 124.803 1.241 . . . . 0.0 107.737 -174.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -114.95 152.69 31.92 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.513 1.125 . . . . 0.0 107.967 -176.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 4.5 m -69.94 148.84 48.44 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 123.378 0.671 . . . . 0.0 110.622 177.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -169.53 -176.44 39.39 Favored Glycine 0 C--N 1.334 0.457 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 175.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.34 141.96 51.44 Favored 'General case' 0 CA--C 1.514 -0.441 0 N-CA-C 106.904 -1.517 . . . . 0.0 106.904 172.578 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 6.6 mt -70.14 135.04 29.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 106.601 -1.629 . . . . 0.0 106.601 175.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 47.6 p -110.89 -29.91 7.75 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 -173.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 13.8 ttt-85 -166.32 151.49 8.21 Favored 'General case' 0 CA--C 1.517 -0.316 0 C-N-CA 123.11 0.564 . . . . 0.0 112.081 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 6.4 t70 -81.05 110.37 16.51 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 103.105 -2.924 . . . . 0.0 103.105 167.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.4 t -70.98 -49.98 45.91 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 147.99 163.99 11.06 Favored Glycine 0 C--N 1.338 0.688 0 N-CA-C 109.901 -1.28 . . . . 0.0 109.901 177.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 60.36 4.31 0.67 Allowed 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 115.597 1.703 . . . . 0.0 115.597 176.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 109.25 -8.04 32.84 Favored Glycine 0 CA--C 1.524 0.632 0 C-N-CA 124.733 1.159 . . . . 0.0 111.164 -172.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -75.1 138.54 42.16 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 120.386 2.093 . . . . 0.0 107.957 169.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -127.87 138.02 52.54 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 105.36 -2.089 . . . . 0.0 105.36 169.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -85.02 138.45 32.44 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 177.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.0 mm? -124.95 119.48 28.87 Favored 'General case' 0 CA--C 1.515 -0.38 0 C-N-CA 124.799 1.24 . . . . 0.0 108.85 -169.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 38.1 tp -84.67 97.47 9.66 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 105.366 -2.087 . . . . 0.0 105.366 169.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -62.81 149.12 44.97 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 172.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -67.54 -21.98 65.44 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -172.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 20.6 p-10 -76.33 -0.08 21.29 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.272 1.029 . . . . 0.0 112.966 171.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 105.53 -5.63 40.98 Favored Glycine 0 CA--C 1.528 0.889 0 C-N-CA 125.999 1.762 . . . . 0.0 114.115 168.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -78.37 156.28 29.59 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 117.985 0.892 . . . . 0.0 109.77 -174.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -140.83 121.14 13.94 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 66.2 m -146.19 166.96 24.67 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 125.491 1.517 . . . . 0.0 108.034 171.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -81.84 143.87 31.43 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 172.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 81.6 t -140.89 139.05 34.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 106.792 -1.558 . . . . 0.0 106.792 176.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.8 mt -75.94 151.84 37.2 Favored 'General case' 0 CA--C 1.51 -0.595 0 O-C-N 121.801 -0.562 . . . . 0.0 110.895 178.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -53.81 -35.14 52.27 Favored Glycine 0 CA--C 1.524 0.605 0 C-N-CA 124.524 1.059 . . . . 0.0 113.287 179.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -23.48 62.69 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 122.161 -0.611 . . . . 0.0 111.293 177.032 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -109.87 20.68 17.75 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 125.725 1.61 . . . . 0.0 111.522 -171.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -129.14 137.79 56.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 N-CA-C 106.076 -1.824 . . . . 0.0 106.076 178.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 51.3 mt -121.74 112.56 18.55 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 104.006 -2.591 . . . . 0.0 104.006 -171.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.94 -1.56 16.36 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 116.535 2.05 . . . . 0.0 116.535 -168.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 25.1 p -130.98 50.99 2.18 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 106.451 -1.685 . . . . 0.0 106.451 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -89.95 10.12 0.04 OUTLIER Pre-proline 0 CA--C 1.542 0.646 2 C-N-CA 133.018 4.527 . . . . 0.0 121.918 -169.336 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -53.49 114.69 1.87 Allowed 'Trans proline' 0 C--N 1.353 0.803 0 CA-C-N 125.715 3.077 . . . . 0.0 107.095 169.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 9.1 mm -61.26 122.13 67.95 Favored Pre-proline 0 CA--C 1.537 0.446 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 -168.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 17.2 Cg_endo -65.6 142.7 72.14 Favored 'Trans proline' 0 N--CA 1.452 -0.917 0 C-N-CA 121.49 1.46 . . . . 0.0 109.844 176.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 4.7 mp -59.35 148.53 32.05 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 177.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 25.8 t70 78.27 -7.74 1.76 Allowed 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 127.59 2.356 . . . . 0.0 113.332 -174.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 28.9 m -69.31 140.25 54.35 Favored 'General case' 0 C--O 1.236 0.359 0 O-C-N 121.048 -1.033 . . . . 0.0 108.896 171.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -81.87 139.74 34.52 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 174.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 1.4 m -146.01 159.45 11.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 124.554 1.142 . . . . 0.0 109.419 -175.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 2.2 m -89.22 133.24 34.51 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 104.725 -2.324 . . . . 0.0 104.725 169.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -105.96 139.38 40.59 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 174.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.72 107.87 5.76 Favored 'General case' 0 CA--C 1.514 -0.433 0 C-N-CA 123.426 0.691 . . . . 0.0 110.614 -169.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 13.7 m -62.19 132.85 54.12 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 104.747 -2.316 . . . . 0.0 104.747 168.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -49.79 -26.14 3.66 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 115.791 1.774 . . . . 0.0 115.791 -168.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 20.7 t70 -75.62 -46.92 28.83 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 119.014 0.825 . . . . 0.0 111.825 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 178.47 -24.01 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 177.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -57.64 120.88 9.11 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 119.14 0.882 . . . . 0.0 109.982 -169.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 2.3 t80 -116.89 130.81 56.94 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 125.456 1.502 . . . . 0.0 110.089 -168.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 1.6 p -152.14 178.52 9.39 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.032 1.733 . . . . 0.0 109.141 174.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -136.99 157.38 46.86 Favored 'General case' 0 N--CA 1.466 0.36 0 O-C-N 120.401 -1.437 . . . . 0.0 111.077 173.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -169.23 -160.98 18.69 Favored Glycine 0 CA--C 1.527 0.818 0 C-N-CA 126.184 1.849 . . . . 0.0 108.953 -171.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.1 t -130.65 143.56 40.56 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.31 0 CA-C-N 118.546 1.173 . . . . 0.0 109.147 -175.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 93.7 t -66.38 125.78 24.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 173.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 85.5 mttt -132.0 22.99 4.54 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.027 0.83 . . . . 0.0 111.904 169.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 176.58 178.78 46.62 Favored Glycine 0 CA--C 1.524 0.654 0 O-C-N 121.578 -0.701 . . . . 0.0 111.685 169.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 10.1 m80 -142.85 152.87 42.61 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 126.456 1.902 . . . . 0.0 111.086 -171.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 45.5 ttt180 . . . . . 0 N--CA 1.465 0.324 0 C-N-CA 125.46 1.504 . . . . 0.0 107.247 170.693 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 28.9 tp . . . . . 0 N--CA 1.446 -0.647 0 CA-C-O 120.926 0.393 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -128.99 159.78 34.82 Favored 'General case' 0 CA--C 1.517 -0.291 0 C-N-CA 126.063 1.745 . . . . 0.0 108.534 -178.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -141.88 137.05 31.09 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 107.243 -1.391 . . . . 0.0 107.243 -174.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.25 98.85 11.53 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 104.477 -2.416 . . . . 0.0 104.477 169.177 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 33.1 mm -79.35 128.11 38.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 178.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -84.0 120.78 26.53 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 102.922 -2.992 . . . . 0.0 102.922 168.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 24.2 ttpt -142.41 135.09 28.19 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 104.942 -2.244 . . . . 0.0 104.942 -171.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 54.64 25.62 6.58 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.264 0.625 . . . . 0.0 112.24 -173.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 80.96 14.07 80.11 Favored Glycine 0 C--N 1.343 0.96 0 CA-C-O 119.043 -0.865 . . . . 0.0 113.452 176.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -140.87 155.28 46.35 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 118.645 1.223 . . . . 0.0 110.107 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 58.7 mtp85 -80.51 141.66 34.94 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.725 -0.61 . . . . 0.0 109.716 -175.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -145.57 130.38 18.13 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 88.7 m95 -81.33 132.2 35.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 118.978 0.808 . . . . 0.0 110.284 176.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -134.08 164.24 27.77 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.012 1.325 . . . . 0.0 108.039 169.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -104.47 168.65 8.95 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.089 1.356 . . . . 0.0 110.239 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 14.1 ttp180 -49.28 -53.96 19.23 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 120.094 1.315 . . . . 0.0 113.66 -178.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 1.6 ppp? -70.06 -13.32 62.16 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 121.385 1.902 . . . . 0.0 113.492 -179.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -92.36 -4.75 53.4 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.991 1.317 . . . . 0.0 111.48 172.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 83.2 t -120.99 90.46 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 N-CA-C 106.204 -1.776 . . . . 0.0 106.204 176.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 10.3 pt -106.8 175.65 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.689 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 -176.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 6.5 mt -124.63 121.81 35.77 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -175.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 4.7 m -58.99 158.11 8.96 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 169.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 1.9 pp -54.89 -43.18 72.98 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 121.269 -0.894 . . . . 0.0 113.392 -169.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -67.76 -42.04 82.39 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 121.509 -0.745 . . . . 0.0 109.595 -178.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -60.08 -41.07 91.64 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.122 0.969 . . . . 0.0 109.948 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -70.67 -32.9 67.01 Favored Glycine 0 C--N 1.341 0.831 0 O-C-N 121.981 -0.45 . . . . 0.0 112.451 178.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -64.9 -38.98 92.79 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.936 0.895 . . . . 0.0 111.492 -178.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -54.1 -23.28 13.35 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 118.512 0.596 . . . . 0.0 112.083 174.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 11.8 mt -95.19 -31.31 13.57 Favored 'General case' 0 C--O 1.225 -0.213 0 C-N-CA 125.206 1.402 . . . . 0.0 111.207 -178.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 9.5 ttm-85 -57.56 -37.39 73.04 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.474 -0.766 . . . . 0.0 111.811 -171.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -57.09 -22.1 36.93 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.798 0.839 . . . . 0.0 113.131 177.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -115.4 -44.67 2.97 Favored 'General case' 0 C--N 1.346 0.451 0 CA-C-N 119.659 1.118 . . . . 0.0 112.665 177.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 6.6 m-30 -92.75 -10.47 36.89 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 123.594 0.758 . . . . 0.0 112.768 -169.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -54.84 130.23 46.21 Favored Glycine 0 CA--C 1.528 0.874 0 C-N-CA 125.627 1.584 . . . . 0.0 110.361 177.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.234 0.273 0 CA-C-N 118.438 1.119 . . . . 0.0 109.218 173.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 94.0 m-85 . . . . . 0 N--CA 1.467 0.412 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 4.1 t -56.15 111.98 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 C-N-CA 125.759 1.623 . . . . 0.0 108.942 -177.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 115.43 -21.57 12.78 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 125.301 1.429 . . . . 0.0 112.802 178.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 10.6 mp -72.75 140.09 47.55 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 118.754 1.277 . . . . 0.0 110.357 -175.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 57.1 mtp180 -81.72 126.32 31.66 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 105.558 -2.016 . . . . 0.0 105.558 168.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 14.4 m -143.51 -175.08 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 C-N-CA 124.852 1.261 . . . . 0.0 107.975 -173.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.8 t -121.93 144.4 31.27 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 N-CA-C 105.565 -2.013 . . . . 0.0 105.565 170.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -147.3 152.64 38.6 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.396 1.078 . . . . 0.0 109.046 -169.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 76.6 tttt -83.4 132.73 34.97 Favored 'General case' 0 CA--C 1.514 -0.442 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 16.3 t-105 . . . . . 0 CA--C 1.54 0.562 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 169.704 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 1500 ' ' TYR . . . . . 0.414 ' CG ' ' HA ' ' A' 1589 ' ' SER . 11.3 m-30 . . . . . 0 C--O 1.235 0.307 0 CA-C-O 121.842 0.829 . . . . 0.0 110.412 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -94.94 108.51 20.56 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 105.368 -2.086 . . . . 0.0 105.368 -178.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -98.17 151.96 19.87 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 125.055 1.342 . . . . 0.0 108.112 -175.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 3.8 m -69.12 148.74 49.52 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 123.325 0.65 . . . . 0.0 110.262 175.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -172.37 -177.5 41.87 Favored Glycine 0 C--N 1.331 0.289 0 O-C-N 121.641 -0.662 . . . . 0.0 112.378 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -126.19 129.39 48.9 Favored 'General case' 0 CA--C 1.513 -0.466 0 C-N-CA 125.913 1.685 . . . . 0.0 106.593 -174.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 20.2 mt -72.28 128.32 35.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 106.872 -1.529 . . . . 0.0 106.872 179.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 73.2 p -102.94 -36.01 8.36 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 123.365 0.666 . . . . 0.0 110.519 -171.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -167.73 142.35 3.67 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 124.141 0.976 . . . . 0.0 111.087 176.591 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 6.1 t0 -70.77 103.5 2.61 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 168.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.5 t -64.78 -50.7 74.12 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 -176.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 148.67 163.73 11.04 Favored Glycine 0 C--N 1.338 0.656 0 N-CA-C 109.679 -1.368 . . . . 0.0 109.679 178.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 57.22 9.43 0.69 Allowed 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 115.016 1.487 . . . . 0.0 115.016 177.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 105.17 -5.69 42.13 Favored Glycine 0 C--O 1.222 -0.642 0 C-N-CA 125.099 1.333 . . . . 0.0 111.328 -176.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 11.9 mtpp -75.03 135.49 41.26 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 120.021 1.911 . . . . 0.0 106.983 169.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -126.0 137.41 53.66 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 105.494 -2.039 . . . . 0.0 105.494 169.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 28.8 ttpt -84.33 138.49 32.86 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 176.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.4 mm? -125.17 118.29 25.74 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 125.001 1.32 . . . . 0.0 108.349 -169.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 32.0 tp -84.02 93.85 8.17 Favored 'General case' 0 CA--C 1.511 -0.539 0 N-CA-C 103.697 -2.705 . . . . 0.0 103.697 168.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -55.81 147.39 19.15 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 172.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -68.03 -17.01 64.28 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.086 -169.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 55.9 p-10 -84.39 5.08 28.49 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.485 1.514 . . . . 0.0 112.603 171.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 102.2 -4.56 51.97 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 125.304 1.431 . . . . 0.0 114.536 169.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -82.3 157.06 23.98 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 118.523 1.161 . . . . 0.0 110.042 -174.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -140.84 117.98 11.27 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 123.683 0.793 . . . . 0.0 108.874 -175.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 97.3 m -144.66 166.46 25.14 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 125.941 1.696 . . . . 0.0 107.799 174.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -94.16 145.23 24.84 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 123.552 0.741 . . . . 0.0 109.706 175.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 84.1 t -144.23 137.48 23.43 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 -174.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 7.7 mt -74.73 150.49 39.43 Favored 'General case' 0 CA--C 1.514 -0.427 0 C-N-CA 122.916 0.487 . . . . 0.0 111.053 178.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -55.44 -33.74 59.03 Favored Glycine 0 C--N 1.333 0.411 0 C-N-CA 124.402 1.001 . . . . 0.0 113.451 -178.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.85 -32.96 64.1 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 117.548 0.674 . . . . 0.0 110.413 176.514 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -99.72 22.47 10.94 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.579 1.551 . . . . 0.0 112.098 -170.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -132.08 136.29 56.89 Favored 'Isoleucine or valine' 0 C--N 1.347 0.467 0 N-CA-C 107.135 -1.432 . . . . 0.0 107.135 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 62.9 mt -116.25 115.21 25.55 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 127.368 2.267 . . . . 0.0 104.957 -176.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.7 -3.35 15.86 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 116.165 1.913 . . . . 0.0 116.165 -169.286 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 22.9 p -132.91 52.73 2.06 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 106.395 -1.706 . . . . 0.0 106.395 -177.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 51.3 t0 -115.44 62.65 1.78 Allowed Pre-proline 0 CA--C 1.541 0.62 0 N-CA-C 117.439 2.385 . . . . 0.0 117.439 -168.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -72.49 119.54 6.18 Favored 'Trans proline' 0 CA--C 1.545 1.071 1 N-CA-C 101.129 -4.22 . . . . 0.0 101.129 166.08 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 9.7 mm -59.85 122.79 68.18 Favored Pre-proline 0 CA--C 1.538 0.506 0 CA-C-N 119.5 1.045 . . . . 0.0 109.496 -168.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -65.73 142.74 71.44 Favored 'Trans proline' 0 N--CA 1.452 -0.942 0 C-N-CA 121.453 1.436 . . . . 0.0 110.139 176.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 4.4 mp -56.75 146.92 24.39 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 174.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 4.5 t70 77.18 -3.88 2.41 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 127.455 2.302 . . . . 0.0 113.57 -177.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 21.6 m -69.72 136.35 50.9 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 171.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -75.01 136.5 41.24 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 170.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 2.3 m -145.3 160.06 13.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 124.765 1.226 . . . . 0.0 109.183 -177.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 4.4 m -90.68 141.97 28.24 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 106.23 -1.767 . . . . 0.0 106.23 169.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -118.37 141.77 48.2 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 126.161 1.784 . . . . 0.0 107.866 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -138.75 122.08 17.1 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 123.98 0.912 . . . . 0.0 110.94 -169.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 15.5 m -73.41 162.12 29.66 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 107.061 -1.459 . . . . 0.0 107.061 168.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -74.23 13.14 0.61 Allowed 'General case' 0 CA--C 1.55 0.952 0 O-C-N 120.872 -1.142 . . . . 0.0 112.7 -175.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 21.0 t0 -147.18 60.45 1.17 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.98 1.712 . . . . 0.0 108.913 -177.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1551 ' ' GLU . . . . . . . . . . . . 0.268 6.8 pt-20 58.96 -7.61 0.05 OUTLIER 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 119.304 3.075 . . . . 0.0 119.304 171.104 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -59.82 128.98 39.58 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 121.595 1.998 . . . . 0.0 108.534 171.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -137.09 129.96 30.55 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 124.453 1.101 . . . . 0.0 109.474 -169.161 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 3.3 p -152.06 177.9 10.01 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.609 1.563 . . . . 0.0 109.367 174.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -131.06 156.88 44.43 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 119.723 1.147 . . . . 0.0 111.28 174.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.31 -160.06 17.76 Favored Glycine 0 CA--C 1.528 0.901 0 C-N-CA 126.362 1.934 . . . . 0.0 109.038 -170.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.0 t -133.26 142.66 41.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 CA-C-N 118.943 1.371 . . . . 0.0 109.731 -174.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 71.4 t -65.43 129.42 29.64 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.161 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 172.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -132.93 13.76 4.32 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.813 1.245 . . . . 0.0 111.576 171.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -177.47 173.3 46.04 Favored Glycine 0 C--N 1.342 0.896 0 CA-C-N 119.474 1.034 . . . . 0.0 112.603 174.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 13.7 m80 -135.25 153.82 51.78 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 126.33 1.852 . . . . 0.0 109.897 -178.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 44.7 ttt180 . . . . . 0 C--O 1.233 0.185 0 N-CA-C 107.078 -1.453 . . . . 0.0 107.078 172.27 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 40.3 tp . . . . . 0 N--CA 1.447 -0.603 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -130.7 156.43 44.94 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 124.618 1.167 . . . . 0.0 108.833 -174.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -136.67 134.41 37.22 Favored 'General case' 0 N--CA 1.446 -0.661 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 -177.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 36.9 t -82.44 107.35 15.03 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 102.281 -3.229 . . . . 0.0 102.281 168.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 24.7 mm -89.86 124.78 42.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 104.977 -2.231 . . . . 0.0 104.977 171.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -84.27 114.25 21.71 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 103.731 -2.692 . . . . 0.0 103.731 168.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -144.2 137.15 27.17 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 105.643 -1.984 . . . . 0.0 105.643 -169.431 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 51.15 32.13 7.53 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.799 0.84 . . . . 0.0 112.179 -170.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 68.03 24.26 74.51 Favored Glycine 0 CA--C 1.532 1.146 0 CA-C-O 119.278 -0.734 . . . . 0.0 113.336 178.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -139.05 144.65 38.9 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 118.41 1.105 . . . . 0.0 109.414 178.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 75.3 mtm-85 -83.86 125.63 32.16 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -178.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -139.54 131.28 27.43 Favored 'General case' 0 CA--C 1.523 -0.064 0 N-CA-C 107.021 -1.474 . . . . 0.0 107.021 -169.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 88.9 m95 -80.12 126.68 31.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 118.243 0.474 . . . . 0.0 110.128 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -127.61 146.49 50.52 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 106.6 -1.63 . . . . 0.0 106.6 169.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -86.96 165.45 15.85 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.24 1.016 . . . . 0.0 110.084 -176.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -48.63 -51.47 27.99 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 119.506 1.048 . . . . 0.0 113.24 -177.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 2.1 ppp? -67.47 -21.91 65.5 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 119.9 1.227 . . . . 0.0 113.036 -179.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -81.44 -11.49 59.22 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 118.631 -0.7 . . . . 0.0 111.556 176.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 92.2 t -113.12 91.27 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 N-CA-C 105.651 -1.981 . . . . 0.0 105.651 -174.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 9.3 pt -105.14 164.46 3.98 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 N-CA-C 107.551 -1.278 . . . . 0.0 107.551 -176.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 8.0 mt -108.08 122.77 47.56 Favored 'General case' 0 CA--C 1.509 -0.617 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 -176.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1589 ' ' SER . . . . . 0.414 ' HA ' ' CG ' ' A' 1500 ' ' TYR . 1.5 m -56.79 141.07 45.71 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 106.254 -1.758 . . . . 0.0 106.254 169.499 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.3 pp -52.22 -37.84 56.27 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 114.172 1.175 . . . . 0.0 114.172 -168.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -67.84 -41.16 83.4 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 119.115 0.87 . . . . 0.0 109.781 178.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -67.55 -40.18 84.98 Favored 'General case' 0 C--O 1.223 -0.337 0 O-C-N 121.676 -0.64 . . . . 0.0 109.38 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -64.41 -31.43 80.84 Favored Glycine 0 CA--C 1.528 0.876 0 O-C-N 121.309 -0.869 . . . . 0.0 112.092 174.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -64.84 -37.44 87.64 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 120.886 -1.361 . . . . 0.0 110.943 178.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -56.41 -23.88 41.24 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 118.455 0.571 . . . . 0.0 111.466 177.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 6.6 mp -99.45 -24.18 14.87 Favored 'General case' 0 C--N 1.342 0.275 0 C-N-CA 125.341 1.456 . . . . 0.0 111.327 -179.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 66.2 ttp85 -55.05 -38.51 68.1 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 119.973 1.26 . . . . 0.0 111.477 -177.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -59.46 -20.42 55.04 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-O 118.178 -0.915 . . . . 0.0 113.407 178.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -114.74 -48.5 2.85 Favored 'General case' 0 C--N 1.346 0.428 0 CA-C-N 120.096 1.316 . . . . 0.0 111.954 178.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.0 m-30 -91.68 -9.12 45.02 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 123.96 0.904 . . . . 0.0 112.268 -170.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -54.01 130.99 44.48 Favored Glycine 0 CA--C 1.527 0.816 0 C-N-CA 125.267 1.413 . . . . 0.0 110.795 177.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.234 0.265 0 CA-C-N 118.455 1.128 . . . . 0.0 109.378 172.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 92.0 m-85 . . . . . 0 N--CA 1.467 0.379 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 13.8 t -61.25 120.27 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 C-N-CA 124.084 0.954 . . . . 0.0 108.777 -175.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 110.78 -28.35 10.07 Favored Glycine 0 CA--C 1.53 1.005 0 C-N-CA 124.964 1.268 . . . . 0.0 112.619 -177.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 49.5 mt -69.52 139.16 53.79 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 118.728 1.264 . . . . 0.0 112.215 -174.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 50.7 mtp180 -81.82 128.43 34.01 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 105.668 -1.975 . . . . 0.0 105.668 168.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 14.7 m -145.79 -176.98 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 124.924 1.29 . . . . 0.0 107.63 -172.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.5 t -118.97 143.47 30.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 N-CA-C 105.357 -2.09 . . . . 0.0 105.357 169.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -147.11 153.08 39.51 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 124.233 1.013 . . . . 0.0 110.021 -169.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 79.3 tttt -82.71 130.69 35.17 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 -179.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 20.6 t-105 . . . . . 0 CA--C 1.539 0.533 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 169.7 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 12.1 m-30 . . . . . 0 C--O 1.237 0.41 0 CA-C-O 121.933 0.873 . . . . 0.0 110.62 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 5.4 m-30 -90.83 108.23 19.7 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 105.947 -1.872 . . . . 0.0 105.947 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -98.1 151.86 19.93 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.0 1.32 . . . . 0.0 108.096 -178.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 4.7 m -72.68 149.23 44.0 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 123.22 0.608 . . . . 0.0 110.363 177.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -173.26 -176.03 41.48 Favored Glycine 0 C--N 1.335 0.51 0 O-C-N 121.654 -0.654 . . . . 0.0 112.318 -177.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 38.7 mtmt -126.0 128.84 48.09 Favored 'General case' 0 CA--C 1.514 -0.428 0 C-N-CA 126.569 1.948 . . . . 0.0 106.868 -174.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 21.9 mt -72.52 134.23 30.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 106.733 -1.58 . . . . 0.0 106.733 177.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 43.6 p -110.12 -30.37 7.79 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 123.327 0.651 . . . . 0.0 109.789 -172.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 13.4 ttt-85 -168.12 149.0 5.02 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 115.727 -0.67 . . . . 0.0 112.215 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 6.5 t70 -78.45 110.35 13.45 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 103.761 -2.681 . . . . 0.0 103.761 167.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.5 t -71.58 -49.93 43.12 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 -179.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 147.73 164.04 11.03 Favored Glycine 0 C--N 1.338 0.665 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 178.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 60.3 4.52 0.69 Allowed 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 115.304 1.594 . . . . 0.0 115.304 177.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 107.86 -7.17 35.67 Favored Glycine 0 CA--C 1.523 0.556 0 C-N-CA 124.656 1.122 . . . . 0.0 111.087 -173.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -75.07 138.54 42.2 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 120.074 1.937 . . . . 0.0 107.993 169.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -127.9 137.5 52.33 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 105.091 -2.189 . . . . 0.0 105.091 169.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 29.4 ttpt -83.68 138.14 33.45 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 177.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.3 mm? -124.87 118.43 26.31 Favored 'General case' 0 CA--C 1.51 -0.572 0 C-N-CA 125.091 1.356 . . . . 0.0 108.891 -169.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 33.1 tp -84.08 92.96 8.01 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 103.686 -2.709 . . . . 0.0 103.686 168.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -54.49 148.12 12.74 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 171.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -67.74 -19.81 65.17 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 122.724 0.41 . . . . 0.0 111.953 -169.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 55.8 p30 -80.01 -0.1 33.96 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.586 1.554 . . . . 0.0 112.978 171.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 106.04 -4.23 38.59 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 125.46 1.505 . . . . 0.0 114.087 169.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -81.69 157.63 24.54 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 118.38 1.09 . . . . 0.0 110.155 -174.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -141.43 118.46 11.24 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 123.363 0.665 . . . . 0.0 109.287 -174.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 74.2 m -144.31 164.44 30.76 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 125.339 1.456 . . . . 0.0 108.472 174.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -81.33 145.13 31.02 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 170.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 97.0 t -142.06 139.23 30.49 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.178 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 177.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.7 mt -79.33 152.78 30.27 Favored 'General case' 0 CA--C 1.512 -0.498 0 C-N-CA 123.139 0.576 . . . . 0.0 111.937 179.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -53.7 -39.69 61.85 Favored Glycine 0 CA--C 1.523 0.534 0 C-N-CA 124.456 1.027 . . . . 0.0 113.788 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1530 ' ' LYS . . . . . . . . . . . . 0.255 0.0 OUTLIER -65.59 -9.98 31.51 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 118.685 1.242 . . . . 0.0 113.128 178.087 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -112.13 21.32 15.98 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.657 1.583 . . . . 0.0 111.525 -177.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -133.66 138.91 49.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 73.5 mt -120.48 116.16 24.89 Favored 'General case' 0 CA--C 1.521 -0.172 0 N-CA-C 104.609 -2.367 . . . . 0.0 104.609 -177.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.3 -3.1 17.41 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 116.655 2.094 . . . . 0.0 116.655 -169.013 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 24.2 p -134.6 53.81 1.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 105.929 -1.878 . . . . 0.0 105.929 -177.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 51.9 t0 -117.26 64.54 3.84 Favored Pre-proline 0 CA--C 1.541 0.597 0 N-CA-C 117.273 2.323 . . . . 0.0 117.273 -168.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -72.11 120.36 6.76 Favored 'Trans proline' 0 CA--C 1.545 1.066 1 N-CA-C 100.981 -4.276 . . . . 0.0 100.981 165.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 10.3 mm -60.13 124.08 75.72 Favored Pre-proline 0 CA--C 1.538 0.511 0 CA-C-N 119.3 0.954 . . . . 0.0 109.865 -168.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -61.66 143.6 96.74 Favored 'Trans proline' 0 N--CA 1.454 -0.828 0 C-N-CA 122.066 1.844 . . . . 0.0 110.712 175.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 4.1 mp -59.52 149.63 29.29 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 169.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 21.8 t70 74.27 -4.6 2.26 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 127.04 2.136 . . . . 0.0 113.536 -175.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 19.2 m -70.72 133.58 46.72 Favored 'General case' 0 C--O 1.238 0.475 0 O-C-N 120.826 -1.171 . . . . 0.0 108.402 171.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -74.48 136.31 42.26 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 170.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 2.4 m -145.94 160.56 11.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 C-N-CA 124.309 1.043 . . . . 0.0 109.506 -175.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 7.6 m -90.25 143.12 27.06 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 105.954 -1.869 . . . . 0.0 105.954 169.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -121.64 143.29 49.41 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 125.907 1.683 . . . . 0.0 107.438 -179.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -138.59 120.44 15.38 Favored 'General case' 0 CA--C 1.518 -0.288 0 C-N-CA 124.04 0.936 . . . . 0.0 109.03 -169.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 14.8 m -71.45 158.56 36.06 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 106.655 -1.609 . . . . 0.0 106.655 168.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -73.63 12.86 0.56 Allowed 'General case' 0 CA--C 1.55 0.946 0 O-C-N 121.264 -0.898 . . . . 0.0 112.879 -171.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 25.1 t0 -143.18 57.53 1.39 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.649 1.58 . . . . 0.0 109.293 177.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1551 ' ' GLU . . . . . . . . . . . . 0.286 9.4 pt-20 59.5 2.97 0.37 Allowed 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 119.34 3.089 . . . . 0.0 119.34 169.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -66.31 131.73 46.77 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 120.47 1.487 . . . . 0.0 107.403 169.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -134.22 130.63 37.47 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.358 1.063 . . . . 0.0 109.974 -169.567 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 2.4 p -152.05 178.82 9.05 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.654 1.582 . . . . 0.0 109.504 173.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -131.42 159.2 38.72 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 119.599 1.091 . . . . 0.0 111.0 173.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.87 -159.8 17.8 Favored Glycine 0 CA--C 1.528 0.893 0 C-N-CA 126.348 1.928 . . . . 0.0 109.278 -172.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.4 t -130.98 142.23 44.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-N 118.743 1.271 . . . . 0.0 109.454 -175.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 80.9 t -64.59 126.29 23.15 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 171.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 82.3 mttt -131.84 20.34 4.59 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 119.494 1.043 . . . . 0.0 111.732 170.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 176.98 179.34 47.33 Favored Glycine 0 CA--C 1.524 0.622 0 O-C-N 121.762 -0.586 . . . . 0.0 111.989 169.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 10.3 m80 -141.95 157.26 45.16 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 125.893 1.677 . . . . 0.0 110.887 -172.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 6.4 ttt-85 . . . . . 0 N--CA 1.465 0.287 0 C-N-CA 125.916 1.686 . . . . 0.0 107.319 169.845 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 36.9 tp . . . . . 0 N--CA 1.445 -0.699 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -124.44 155.4 38.94 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 125.084 1.354 . . . . 0.0 108.651 -174.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -138.25 128.41 25.81 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 106.382 -1.71 . . . . 0.0 106.382 -176.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -86.19 96.19 9.84 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 104.748 -2.316 . . . . 0.0 104.748 169.616 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 36.7 mm -79.04 130.53 36.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 105.98 -1.859 . . . . 0.0 105.98 177.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -83.9 118.11 23.77 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 103.695 -2.706 . . . . 0.0 103.695 168.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -143.93 134.56 24.93 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 105.055 -2.202 . . . . 0.0 105.055 -169.747 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 51.16 35.06 12.32 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.757 0.823 . . . . 0.0 111.637 -169.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 73.64 15.41 79.33 Favored Glycine 0 CA--C 1.532 1.115 0 CA-C-O 119.008 -0.885 . . . . 0.0 114.184 173.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -143.86 157.75 44.15 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 118.871 1.336 . . . . 0.0 109.5 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -79.99 140.97 36.38 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 121.555 -0.716 . . . . 0.0 109.263 -176.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -143.1 130.51 21.06 Favored 'General case' 0 CA--C 1.521 -0.136 0 N-CA-C 106.058 -1.83 . . . . 0.0 106.058 -178.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 89.6 m95 -80.83 131.63 35.41 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 118.741 0.701 . . . . 0.0 110.131 176.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -133.13 162.7 31.05 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 169.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -107.96 166.54 10.64 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.354 1.062 . . . . 0.0 109.791 -176.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 20.8 ttp180 -48.43 -47.0 38.32 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -178.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 1.7 ppp? -69.16 -23.97 64.01 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 120.648 1.567 . . . . 0.0 112.531 179.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -87.79 -6.29 58.22 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 124.59 1.156 . . . . 0.0 111.543 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 92.7 t -116.8 99.44 8.29 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.538 0 N-CA-C 105.84 -1.911 . . . . 0.0 105.84 -178.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 8.5 pt -116.75 164.1 13.36 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -172.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 8.7 mt -112.95 125.41 54.36 Favored 'General case' 0 CA--C 1.509 -0.626 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 -171.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.67 136.26 58.01 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 105.821 -1.918 . . . . 0.0 105.821 169.146 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 3.0 pp -54.65 -36.17 64.29 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -169.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -63.18 -37.53 87.57 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.633 0.773 . . . . 0.0 109.517 -178.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 44.1 mm-40 -75.5 -45.19 39.79 Favored 'General case' 0 C--O 1.225 -0.207 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 178.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -58.53 -31.2 66.44 Favored Glycine 0 C--N 1.34 0.76 0 C-N-CA 123.66 0.647 . . . . 0.0 112.062 178.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -58.32 -40.43 82.06 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 118.558 1.179 . . . . 0.0 111.744 174.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -61.27 -22.26 64.67 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 118.927 0.785 . . . . 0.0 111.733 177.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 7.3 mp -94.53 -26.12 16.56 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 124.067 0.947 . . . . 0.0 110.733 175.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -57.65 -39.72 77.65 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.881 1.272 . . . . 0.0 110.486 -176.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -58.99 -19.4 43.04 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-O 117.737 -1.125 . . . . 0.0 113.614 178.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -115.42 -49.99 2.74 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 120.575 1.534 . . . . 0.0 112.177 176.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 8.9 m-30 -91.43 -9.6 44.04 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 124.756 1.223 . . . . 0.0 112.258 -170.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -55.38 130.91 48.49 Favored Glycine 0 CA--C 1.523 0.586 0 C-N-CA 125.206 1.384 . . . . 0.0 109.891 177.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.462 0.154 0 N-CA-C 107.377 -1.342 . . . . 0.0 107.377 170.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 78.0 m-85 . . . . . 0 C--O 1.225 -0.202 0 CA-C-O 120.876 0.37 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 6.9 t -63.06 114.65 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 C-N-CA 125.748 1.619 . . . . 0.0 109.076 -172.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 112.91 -19.91 20.4 Favored Glycine 0 CA--C 1.528 0.846 0 C-N-CA 124.416 1.008 . . . . 0.0 112.427 179.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 9.5 mp -76.04 140.46 41.95 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 118.694 1.247 . . . . 0.0 109.939 -173.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 26.2 mtt-85 -79.09 129.86 34.89 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 106.553 -1.647 . . . . 0.0 106.553 168.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 16.5 m -147.76 -175.37 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 C-N-CA 124.948 1.299 . . . . 0.0 108.175 -174.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 4.1 t -118.91 144.15 28.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 105.335 -2.098 . . . . 0.0 105.335 169.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -145.73 152.45 39.61 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.475 1.11 . . . . 0.0 109.14 -169.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 78.1 tttt -83.01 131.94 35.16 Favored 'General case' 0 CA--C 1.515 -0.371 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 177.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 15.0 t-105 . . . . . 0 CA--C 1.539 0.532 0 N-CA-C 108.444 -0.946 . . . . 0.0 108.444 169.139 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 11.4 m-30 . . . . . 0 C--O 1.235 0.312 0 CA-C-O 121.918 0.866 . . . . 0.0 109.965 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -93.72 108.3 20.07 Favored 'General case' 0 N--CA 1.442 -0.832 0 N-CA-C 105.967 -1.864 . . . . 0.0 105.967 -177.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -99.62 155.04 17.81 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 -178.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 6.9 m -66.11 146.17 54.97 Favored 'General case' 0 C--O 1.236 0.345 0 O-C-N 121.529 -0.732 . . . . 0.0 110.425 173.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -167.22 -179.01 39.9 Favored Glycine 0 C--N 1.332 0.326 0 N-CA-C 111.612 -0.595 . . . . 0.0 111.612 -179.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -134.34 126.16 29.09 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 105.926 -1.879 . . . . 0.0 105.926 -170.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 15.8 mt -73.13 134.43 29.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 106.749 -1.574 . . . . 0.0 106.749 -176.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 51.3 p -110.03 -35.97 5.99 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 123.003 0.521 . . . . 0.0 110.669 -171.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -166.6 141.91 4.4 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.772 0.829 . . . . 0.0 111.432 174.436 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 5.9 t0 -69.36 102.56 1.78 Allowed 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 124.907 1.283 . . . . 0.0 107.666 168.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.5 t -64.96 -51.07 71.34 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 -176.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 146.19 164.86 11.16 Favored Glycine 0 C--N 1.339 0.741 0 N-CA-C 109.762 -1.335 . . . . 0.0 109.762 179.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 59.02 8.03 0.93 Allowed 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 178.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 103.66 -6.77 49.14 Favored Glycine 0 C--N 1.34 0.8 0 C-N-CA 124.228 0.918 . . . . 0.0 111.362 -173.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -75.34 137.62 41.22 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 120.567 2.183 . . . . 0.0 107.927 169.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -127.69 136.47 51.62 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 105.155 -2.165 . . . . 0.0 105.155 169.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -82.98 137.34 34.2 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 177.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 2.9 mm? -124.39 118.98 27.91 Favored 'General case' 0 CA--C 1.511 -0.556 0 C-N-CA 125.232 1.413 . . . . 0.0 109.046 -169.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 35.6 tp -84.07 98.05 9.65 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 105.543 -2.021 . . . . 0.0 105.543 169.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -61.92 152.88 30.79 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 122.851 0.461 . . . . 0.0 109.884 175.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -65.79 -23.03 66.62 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 122.142 -0.349 . . . . 0.0 110.994 170.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 26.4 t0 -62.39 -15.28 47.98 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.494 1.518 . . . . 0.0 111.8 170.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 102.29 -0.16 50.53 Favored Glycine 0 CA--C 1.533 1.163 0 C-N-CA 125.474 1.511 . . . . 0.0 113.245 171.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -93.67 162.12 14.07 Favored 'General case' 0 C--O 1.228 -0.06 0 C-N-CA 124.481 1.113 . . . . 0.0 109.728 -173.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -138.51 118.94 13.77 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 79.8 m -146.25 165.23 29.84 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 125.733 1.613 . . . . 0.0 108.186 172.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -76.54 143.33 40.43 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 172.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 96.1 t -140.15 136.93 37.86 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 N-CA-C 106.778 -1.564 . . . . 0.0 106.778 174.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.1 mt -74.85 148.43 40.22 Favored 'General case' 0 CA--C 1.509 -0.625 0 O-C-N 121.833 -0.542 . . . . 0.0 111.466 178.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -57.5 -35.12 71.11 Favored Glycine 0 CA--C 1.521 0.45 0 C-N-CA 124.088 0.851 . . . . 0.0 113.311 -176.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.82 -18.74 57.41 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 118.855 1.328 . . . . 0.0 112.638 173.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -106.46 22.81 15.21 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.543 1.537 . . . . 0.0 111.605 -176.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 1.1 mt -133.64 137.65 52.34 Favored 'Isoleucine or valine' 0 C--N 1.346 0.426 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 70.6 mt -119.55 114.75 22.73 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 127.478 2.311 . . . . 0.0 104.777 -175.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.51 -3.5 18.05 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 116.713 2.116 . . . . 0.0 116.713 -168.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 24.3 p -133.79 54.46 1.95 Allowed 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 106.02 -1.845 . . . . 0.0 106.02 -177.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 53.9 t0 -116.89 62.44 2.82 Favored Pre-proline 0 CA--C 1.538 0.514 0 N-CA-C 117.197 2.295 . . . . 0.0 117.197 -168.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -72.66 121.84 7.72 Favored 'Trans proline' 0 CA--C 1.545 1.028 1 N-CA-C 100.798 -4.347 . . . . 0.0 100.798 165.758 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 4.9 mm -60.01 122.39 65.74 Favored Pre-proline 0 CA--C 1.539 0.546 0 CA-C-N 119.298 0.954 . . . . 0.0 108.682 -168.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -62.14 144.97 96.48 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 121.869 1.713 . . . . 0.0 110.709 178.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 4.0 mp -58.62 148.85 27.49 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 169.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 21.4 t70 73.02 -4.57 2.14 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.49 1.916 . . . . 0.0 113.507 -176.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 23.5 m -68.29 136.3 53.26 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 169.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -84.49 135.16 34.35 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 172.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 2.4 m -147.61 163.09 6.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 124.469 1.108 . . . . 0.0 109.17 -171.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 6.3 m -88.66 142.82 27.37 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 105.81 -1.922 . . . . 0.0 105.81 169.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -116.56 142.51 46.79 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 125.726 1.61 . . . . 0.0 107.052 176.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.1 112.23 9.07 Favored 'General case' 0 CA--C 1.514 -0.406 0 C-N-CA 123.992 0.917 . . . . 0.0 109.197 -169.554 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 19.5 m -65.5 140.92 58.62 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 104.847 -2.279 . . . . 0.0 104.847 168.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -60.14 16.51 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 117.818 2.525 . . . . 0.0 117.818 -168.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 38.0 t70 -131.94 -41.57 1.02 Allowed 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 117.354 -1.307 . . . . 0.0 112.747 175.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -172.0 -32.71 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 120.363 1.438 . . . . 0.0 114.299 172.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -53.93 120.09 5.89 Favored 'General case' 0 C--N 1.341 0.217 0 C-N-CA 124.108 0.963 . . . . 0.0 111.017 -168.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 3.2 t80 -118.03 132.31 56.39 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 125.353 1.461 . . . . 0.0 110.681 -168.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 2.7 p -152.45 177.81 10.21 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.05 1.34 . . . . 0.0 109.419 171.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -133.67 156.77 47.32 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 121.013 -1.054 . . . . 0.0 111.22 171.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -169.31 -161.64 20.06 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 126.427 1.965 . . . . 0.0 108.975 -172.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.4 t -129.94 142.83 42.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 CA-C-N 118.864 1.332 . . . . 0.0 109.618 -174.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 76.4 t -65.53 123.81 19.21 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 173.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 79.1 mttt -131.84 31.7 4.18 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 119.328 0.967 . . . . 0.0 111.55 171.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 166.44 177.34 38.33 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.328 -0.709 . . . . 0.0 111.328 169.009 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 7.3 m80 -141.1 155.41 46.13 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 126.436 1.895 . . . . 0.0 110.492 -174.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 . . . . . 0 N--CA 1.46 0.057 0 C-N-CA 125.243 1.417 . . . . 0.0 107.542 170.015 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 45.7 tp . . . . . 0 N--CA 1.448 -0.568 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -125.94 155.73 40.87 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 125.066 1.346 . . . . 0.0 109.488 -173.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -138.45 127.54 24.12 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 106.087 -1.82 . . . . 0.0 106.087 -174.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.5 p -87.17 94.29 9.61 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 105.671 -1.974 . . . . 0.0 105.671 169.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 42.7 mm -76.58 127.96 37.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 106.425 -1.694 . . . . 0.0 106.425 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -83.32 124.29 30.47 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 104.237 -2.505 . . . . 0.0 104.237 168.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -144.78 136.97 26.11 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 105.239 -2.134 . . . . 0.0 105.239 -176.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 53.34 28.39 7.32 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.673 0.789 . . . . 0.0 112.292 -174.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 77.74 15.57 81.12 Favored Glycine 0 CA--C 1.531 1.065 0 CA-C-O 119.21 -0.772 . . . . 0.0 113.73 175.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -140.84 153.88 45.96 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 118.415 1.108 . . . . 0.0 109.239 177.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 68.2 mtm180 -88.28 145.81 25.66 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 119.144 0.884 . . . . 0.0 110.526 -176.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.7 tmtt? -143.63 132.37 22.56 Favored 'General case' 0 N--CA 1.46 0.068 0 N-CA-C 105.926 -1.879 . . . . 0.0 105.926 -175.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 89.9 m95 -80.82 131.24 35.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 118.779 0.718 . . . . 0.0 110.23 178.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -133.27 164.21 27.59 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.377 1.471 . . . . 0.0 107.103 169.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -110.94 165.39 11.9 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.039 0.935 . . . . 0.0 110.252 -176.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 24.8 ttp180 -43.92 -54.97 4.9 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 117.441 -1.266 . . . . 0.0 114.057 -177.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 2.0 ppp? -67.99 -20.33 65.02 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 120.773 1.624 . . . . 0.0 112.995 -178.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -89.35 -5.19 57.7 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.27 1.428 . . . . 0.0 111.116 176.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 67.8 t -118.77 92.92 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 N-CA-C 105.786 -1.931 . . . . 0.0 105.786 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 9.6 pt -114.23 162.61 12.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -170.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 3.9 mt -111.57 118.62 36.21 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -173.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.22 142.58 42.48 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 105.885 -1.895 . . . . 0.0 105.885 169.168 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 3.0 pp -55.01 -34.97 63.9 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.87 1.214 . . . . 0.0 112.975 -169.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -64.5 -36.87 85.58 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 123.166 0.586 . . . . 0.0 110.751 179.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -69.56 -49.83 50.55 Favored 'General case' 0 C--O 1.223 -0.332 0 C-N-CA 124.462 1.105 . . . . 0.0 108.111 175.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -60.8 -28.29 68.04 Favored Glycine 0 C--N 1.338 0.651 0 C-N-CA 124.157 0.884 . . . . 0.0 112.296 -176.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -57.32 -42.49 81.97 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 118.35 1.075 . . . . 0.0 111.139 174.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -59.3 -24.73 63.54 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 118.248 0.476 . . . . 0.0 111.731 179.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 7.9 mp -93.94 -26.85 16.67 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.101 0.96 . . . . 0.0 110.834 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -56.71 -39.09 73.26 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 119.601 1.091 . . . . 0.0 111.403 -176.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -59.57 -20.19 53.94 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-O 118.027 -0.987 . . . . 0.0 113.289 179.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -114.55 -48.49 2.86 Favored 'General case' 0 C--N 1.346 0.425 0 CA-C-N 119.95 1.25 . . . . 0.0 112.137 177.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 9.2 m-30 -91.74 -9.57 43.22 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 124.137 0.975 . . . . 0.0 112.285 -170.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -57.82 129.15 49.11 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 125.549 1.547 . . . . 0.0 110.606 -179.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.236 0.373 0 CA-C-N 118.356 1.078 . . . . 0.0 109.088 175.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 94.1 m-85 . . . . . 0 N--CA 1.466 0.36 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 4.0 t -57.22 111.94 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 C-N-CA 125.933 1.693 . . . . 0.0 109.032 -175.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 116.19 -21.11 12.25 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 125.302 1.43 . . . . 0.0 112.935 178.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 9.4 mp -74.85 138.64 42.64 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 118.879 1.34 . . . . 0.0 110.628 -173.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -78.53 127.61 32.39 Favored 'General case' 0 N--CA 1.461 0.121 0 N-CA-C 106.272 -1.751 . . . . 0.0 106.272 168.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 17.5 m -146.74 -175.43 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 125.591 1.556 . . . . 0.0 107.564 -174.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 15.0 t -119.56 151.12 21.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 104.463 -2.421 . . . . 0.0 104.463 169.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -146.69 151.94 38.03 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 -171.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 77.4 tttt -83.75 133.27 34.79 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 106.507 -1.664 . . . . 0.0 106.507 176.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 26.2 t-105 . . . . . 0 N--CA 1.443 -0.824 0 N-CA-C 104.386 -2.45 . . . . 0.0 104.386 168.964 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 4.7 m-30 . . . . . 0 N--CA 1.475 0.784 0 CA-C-O 121.17 0.51 . . . . 0.0 111.27 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -110.71 112.9 25.1 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 106.786 -1.561 . . . . 0.0 106.786 -170.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -113.09 151.49 30.72 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 -173.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 2.7 m -67.48 151.53 47.22 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 124.178 0.991 . . . . 0.0 110.396 177.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -171.37 -177.33 41.06 Favored Glycine 0 C--N 1.333 0.386 0 O-C-N 121.47 -0.769 . . . . 0.0 112.552 178.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 36.2 mtmt -131.96 129.06 39.7 Favored 'General case' 0 CA--C 1.517 -0.312 0 C-N-CA 126.234 1.813 . . . . 0.0 106.253 -174.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 15.7 mt -73.02 130.68 35.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 -177.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 72.9 p -105.39 -36.25 7.24 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 123.153 0.581 . . . . 0.0 110.362 -170.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -168.02 142.26 3.46 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 124.209 1.004 . . . . 0.0 111.044 175.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 6.1 t70 -69.51 102.93 1.92 Allowed 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.144 1.377 . . . . 0.0 107.374 168.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.4 t -64.5 -51.0 73.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 -176.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 145.96 165.06 11.22 Favored Glycine 0 C--N 1.339 0.696 0 N-CA-C 109.697 -1.361 . . . . 0.0 109.697 178.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 60.07 6.42 0.96 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.146 1.378 . . . . 0.0 114.706 178.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 105.72 -7.35 42.02 Favored Glycine 0 C--N 1.337 0.629 0 C-N-CA 124.788 1.185 . . . . 0.0 110.982 -173.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -74.68 138.84 43.09 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-N 120.515 2.158 . . . . 0.0 108.155 169.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -127.78 136.87 52.08 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 105.051 -2.203 . . . . 0.0 105.051 169.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -83.96 138.71 33.0 Favored 'General case' 0 CA--C 1.51 -0.575 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 176.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.1 mm? -124.52 119.07 28.05 Favored 'General case' 0 CA--C 1.508 -0.651 0 C-N-CA 124.862 1.265 . . . . 0.0 108.401 -169.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 28.8 tp -83.54 93.45 7.84 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 103.68 -2.711 . . . . 0.0 103.68 168.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -54.65 147.39 14.61 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 172.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -61.98 -20.77 64.22 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.115 0.566 . . . . 0.0 110.8 -178.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.5 -20.07 64.24 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 128.025 2.53 . . . . 0.0 111.124 173.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 102.22 2.14 51.18 Favored Glycine 0 CA--C 1.538 1.517 0 C-N-CA 126.305 1.907 . . . . 0.0 113.525 -178.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -89.87 159.94 16.71 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 125.211 1.404 . . . . 0.0 109.227 -175.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -141.85 117.95 10.66 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 -174.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 62.0 m -143.88 161.03 39.73 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 125.202 1.401 . . . . 0.0 108.024 177.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -78.85 145.42 34.24 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 170.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 80.5 t -141.9 140.48 30.15 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.242 0 N-CA-C 106.722 -1.584 . . . . 0.0 106.722 174.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 5.6 mt -77.41 149.17 35.17 Favored 'General case' 0 CA--C 1.512 -0.514 0 O-C-N 121.972 -0.455 . . . . 0.0 111.617 177.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -54.73 -39.36 67.04 Favored Glycine 0 C--N 1.335 0.524 0 C-N-CA 124.743 1.164 . . . . 0.0 112.426 -175.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.01 -31.47 63.11 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-N 117.974 0.887 . . . . 0.0 111.743 177.131 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -98.54 23.81 8.16 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.676 1.59 . . . . 0.0 112.996 -173.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -127.38 132.59 69.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 N-CA-C 105.717 -1.957 . . . . 0.0 105.717 178.309 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 55.1 mt -113.15 106.34 14.53 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 127.688 2.395 . . . . 0.0 104.833 -172.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.12 -2.74 26.89 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 116.223 1.934 . . . . 0.0 116.223 -169.176 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 20.8 p -133.41 54.54 1.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 105.899 -1.889 . . . . 0.0 105.899 -176.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 52.0 t0 -120.4 61.22 8.22 Favored Pre-proline 0 CA--C 1.538 0.506 0 N-CA-C 116.626 2.084 . . . . 0.0 116.626 -167.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -71.92 122.75 8.75 Favored 'Trans proline' 0 CA--C 1.545 1.026 1 N-CA-C 100.367 -4.513 . . . . 0.0 100.367 165.429 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 5.2 mm -60.06 120.76 53.55 Favored Pre-proline 0 CA--C 1.541 0.608 0 CA-C-N 119.779 1.172 . . . . 0.0 109.358 -167.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -61.9 144.66 96.83 Favored 'Trans proline' 0 N--CA 1.453 -0.903 0 C-N-CA 122.052 1.835 . . . . 0.0 110.486 178.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 4.2 mp -60.18 147.69 38.93 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 169.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 23.9 t70 75.69 -5.83 2.1 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 127.554 2.342 . . . . 0.0 113.694 -174.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 22.4 m -68.86 133.04 47.71 Favored 'General case' 0 C--O 1.238 0.494 0 O-C-N 120.971 -1.081 . . . . 0.0 108.333 171.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -75.69 136.21 40.38 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 169.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 2.4 m -146.2 159.62 11.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 C-N-CA 124.489 1.115 . . . . 0.0 109.328 -175.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 3.5 m -89.42 128.18 35.91 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 105.117 -2.179 . . . . 0.0 105.117 169.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -94.13 140.74 29.37 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 171.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.43 99.17 3.77 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.67 0.788 . . . . 0.0 110.049 -170.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 6.1 m -62.39 121.22 12.67 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 103.886 -2.635 . . . . 0.0 103.886 169.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -44.6 -26.45 0.37 Allowed 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 127.115 2.166 . . . . 0.0 116.658 -167.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 26.9 t70 -70.21 -44.82 67.85 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 119.466 1.03 . . . . 0.0 111.973 177.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 175.38 -26.54 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.692 1.597 . . . . 0.0 113.975 176.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -53.79 120.5 6.35 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 118.97 0.805 . . . . 0.0 111.153 -169.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 1.8 t80 -115.52 133.3 56.16 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 125.005 1.322 . . . . 0.0 110.375 -168.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 6.1 p -152.41 177.1 10.96 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 125.67 1.588 . . . . 0.0 109.141 171.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -134.42 156.13 49.09 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 119.415 1.007 . . . . 0.0 110.536 169.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -171.46 -160.63 20.44 Favored Glycine 0 CA--C 1.525 0.669 0 C-N-CA 126.277 1.894 . . . . 0.0 108.552 -171.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 4.5 t -131.9 141.74 44.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-N 118.561 1.18 . . . . 0.0 109.623 -173.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 73.9 t -65.04 125.25 21.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 171.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 81.7 mttt -131.16 20.67 4.87 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 119.451 1.023 . . . . 0.0 111.544 169.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 178.98 179.17 48.64 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.568 -0.613 . . . . 0.0 111.568 170.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 8.5 m80 -141.64 153.95 45.06 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 126.731 2.013 . . . . 0.0 110.778 -172.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 . . . . . 0 C--O 1.233 0.234 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 170.026 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 30.0 tp . . . . . 0 C--O 1.234 0.282 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -128.21 158.56 37.76 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 125.937 1.695 . . . . 0.0 109.916 -176.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -141.04 131.8 25.77 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 -174.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.1 p -89.67 100.82 13.54 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 105.022 -2.214 . . . . 0.0 105.022 169.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 39.1 mm -80.43 126.99 39.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 106.604 -1.628 . . . . 0.0 106.604 177.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -87.19 126.12 34.6 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 104.795 -2.298 . . . . 0.0 104.795 168.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -145.51 134.79 22.94 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 105.241 -2.133 . . . . 0.0 105.241 -173.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 51.55 33.14 9.99 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.305 0.957 . . . . 0.0 112.6 -176.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 71.66 19.5 77.98 Favored Glycine 0 CA--C 1.532 1.116 0 CA-C-O 119.114 -0.826 . . . . 0.0 113.765 176.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -141.61 164.55 29.92 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.921 1.289 . . . . 0.0 108.325 177.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -112.41 142.77 44.55 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 119.577 1.08 . . . . 0.0 111.007 -169.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -143.21 132.28 23.03 Favored 'General case' 0 N--CA 1.461 0.075 0 N-CA-C 106.85 -1.537 . . . . 0.0 106.85 -171.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 88.1 m95 -81.06 130.16 34.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 118.63 0.65 . . . . 0.0 109.95 177.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -133.32 166.73 21.82 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.058 1.343 . . . . 0.0 107.497 169.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -115.43 167.6 10.73 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.999 1.32 . . . . 0.0 110.3 -178.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 23.5 ttp-105 -42.96 -56.39 3.32 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 119.966 1.257 . . . . 0.0 113.516 -172.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 1.9 ppp? -73.44 -12.26 60.74 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 120.71 1.595 . . . . 0.0 113.899 -175.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -92.36 -3.01 55.98 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.928 1.691 . . . . 0.0 110.936 169.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 58.2 t -120.98 89.82 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.586 0 N-CA-C 106.166 -1.79 . . . . 0.0 106.166 175.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 8.6 pt -108.15 166.04 4.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 -173.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 6.0 mt -111.41 120.07 40.94 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 -173.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 1.2 m -58.76 149.0 27.58 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 107.307 -1.368 . . . . 0.0 107.307 169.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.0 pp -53.13 -41.83 65.43 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 -168.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -66.13 -33.11 75.03 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.117 0.484 . . . . 0.0 109.811 -177.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -77.51 -47.78 18.69 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 -178.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -52.32 -37.04 47.12 Favored Glycine 0 C--N 1.34 0.771 0 CA-C-N 118.541 0.609 . . . . 0.0 112.054 173.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -58.48 -45.46 88.63 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 117.863 0.832 . . . . 0.0 111.743 176.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -64.05 -18.19 64.1 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 123.001 0.52 . . . . 0.0 112.09 -178.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.3 mp -94.29 -29.58 14.98 Favored 'General case' 0 C--N 1.341 0.205 0 C-N-CA 124.17 0.988 . . . . 0.0 110.386 173.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -56.22 -39.0 71.82 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 124.873 1.269 . . . . 0.0 111.955 -175.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -59.55 -20.34 54.95 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 118.183 -0.913 . . . . 0.0 113.46 178.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -114.42 -47.73 2.91 Favored 'General case' 0 C--N 1.345 0.396 0 CA-C-N 120.091 1.314 . . . . 0.0 111.822 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.6 m-30 -91.68 -10.03 41.71 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 124.587 1.155 . . . . 0.0 112.507 -170.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -51.7 129.95 34.61 Favored Glycine 0 CA--C 1.529 0.962 0 C-N-CA 125.597 1.57 . . . . 0.0 110.442 175.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 1.2 mt . . . . . 0 N--CA 1.465 0.29 0 CA-C-N 118.098 0.949 . . . . 0.0 109.473 173.809 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 77.1 m-85 . . . . . 0 C--O 1.223 -0.292 0 CA-C-O 121.119 0.485 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 6.0 t -61.8 116.74 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 C-N-CA 125.558 1.543 . . . . 0.0 108.738 -172.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 110.29 -19.85 26.46 Favored Glycine 0 CA--C 1.53 0.983 0 C-N-CA 124.863 1.22 . . . . 0.0 112.749 179.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 10.0 mp -74.89 138.8 42.68 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 118.863 1.331 . . . . 0.0 110.594 -173.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 71.0 mtm180 -76.79 125.4 29.21 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 106.124 -1.806 . . . . 0.0 106.124 168.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 18.4 m -145.7 -170.29 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 C-N-CA 125.773 1.629 . . . . 0.0 107.85 -174.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 5.3 t -126.54 149.01 31.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 105.524 -2.028 . . . . 0.0 105.524 170.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -146.27 150.73 36.34 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 124.474 1.11 . . . . 0.0 108.56 -169.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 74.4 tttt -83.08 128.21 34.27 Favored 'General case' 0 CA--C 1.508 -0.641 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 178.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 42.1 t-105 . . . . . 0 N--CA 1.446 -0.646 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 169.536 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 14.3 m-30 . . . . . 0 C--O 1.236 0.354 0 CA-C-O 121.511 0.672 . . . . 0.0 110.582 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -85.18 109.99 18.69 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 107.078 -1.453 . . . . 0.0 107.078 172.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -101.52 149.13 24.4 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 124.539 1.136 . . . . 0.0 108.385 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 7.1 m -71.88 147.55 46.99 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 122.979 0.512 . . . . 0.0 110.257 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -171.26 -176.83 40.64 Favored Glycine 0 CA--C 1.522 0.521 0 CA-C-O 121.663 0.591 . . . . 0.0 112.17 -174.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 39.4 mtmt -131.54 128.11 38.6 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 106.265 -1.754 . . . . 0.0 106.265 -171.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 14.2 mt -72.02 134.78 29.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 -179.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 49.4 p -109.24 -36.05 6.13 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 122.865 0.466 . . . . 0.0 110.8 -172.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -167.78 142.86 3.77 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.953 0.901 . . . . 0.0 111.103 175.206 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 5.9 t0 -70.4 102.35 2.16 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 124.859 1.263 . . . . 0.0 107.672 168.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.5 t -64.0 -50.73 75.93 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 N-CA-C 108.995 -0.742 . . . . 0.0 108.995 -175.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 146.45 163.96 10.7 Favored Glycine 0 C--N 1.337 0.616 0 N-CA-C 109.78 -1.328 . . . . 0.0 109.78 179.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 60.08 5.79 0.84 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.265 1.426 . . . . 0.0 114.677 178.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 105.76 -6.75 41.29 Favored Glycine 0 C--N 1.34 0.754 0 C-N-CA 124.91 1.243 . . . . 0.0 111.254 -173.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -74.85 139.07 42.94 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 120.482 2.141 . . . . 0.0 107.945 169.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -127.91 137.14 52.19 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 105.149 -2.167 . . . . 0.0 105.149 169.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -83.7 137.87 33.57 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 176.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 2.9 mm? -124.98 118.18 25.67 Favored 'General case' 0 CA--C 1.511 -0.54 0 C-N-CA 124.916 1.286 . . . . 0.0 108.669 -169.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 46.5 tp -83.74 94.56 8.18 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 104.402 -2.444 . . . . 0.0 104.402 169.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -58.89 154.15 15.77 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 173.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -68.85 -21.89 64.25 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.862 -0.524 . . . . 0.0 112.037 -173.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 34.9 p-10 -76.34 0.88 17.87 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.747 1.219 . . . . 0.0 112.438 170.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 94.94 -0.91 64.85 Favored Glycine 0 CA--C 1.53 1.026 0 C-N-CA 125.803 1.668 . . . . 0.0 113.818 169.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -75.47 156.64 35.03 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.04 0.92 . . . . 0.0 109.128 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -141.06 118.08 11.2 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 -178.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 97.7 m -142.56 164.28 30.54 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 125.228 1.411 . . . . 0.0 107.906 173.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -80.6 143.08 33.44 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 170.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 79.2 t -140.33 139.67 35.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 106.666 -1.605 . . . . 0.0 106.666 176.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 5.8 mt -76.22 150.74 37.02 Favored 'General case' 0 C--O 1.22 -0.451 0 C-N-CA 123.376 0.67 . . . . 0.0 112.012 179.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -55.72 -38.11 71.39 Favored Glycine 0 C--N 1.334 0.46 0 C-N-CA 124.559 1.076 . . . . 0.0 112.954 -177.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -26.08 64.33 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 118.275 1.037 . . . . 0.0 112.454 176.016 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -97.86 18.36 16.02 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.267 1.427 . . . . 0.0 112.542 -174.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -128.95 136.03 60.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 N-CA-C 106.469 -1.678 . . . . 0.0 106.469 -178.007 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 67.7 mt -117.12 114.32 23.54 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 104.284 -2.488 . . . . 0.0 104.284 -173.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.88 -2.87 15.05 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 116.27 1.952 . . . . 0.0 116.27 -169.524 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 24.4 p -130.29 56.21 1.77 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 104.423 -2.436 . . . . 0.0 104.423 179.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1536 ' ' ASP . . . . . 0.419 ' CG ' HH21 ' A' 1583 ' ' ARG . 5.7 p-10 -98.96 15.75 0.05 OUTLIER Pre-proline 0 CA--C 1.542 0.639 0 N-CA-C 121.034 3.716 . . . . 0.0 121.034 -167.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -55.12 117.45 4.04 Favored 'Trans proline' 0 C--N 1.354 0.858 0 CA-C-N 125.177 2.885 . . . . 0.0 106.311 169.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 4.7 mm -60.94 125.19 82.91 Favored Pre-proline 0 CA--C 1.54 0.561 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 -168.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -62.76 142.11 87.77 Favored 'Trans proline' 0 N--CA 1.456 -0.726 0 C-N-CA 121.918 1.745 . . . . 0.0 110.121 173.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 3.9 mp -57.7 148.44 24.65 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 169.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 23.1 t70 75.57 -6.07 2.05 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.98 2.112 . . . . 0.0 113.436 -176.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 23.0 m -68.96 138.48 54.61 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 169.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -82.86 140.1 33.09 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 107.143 -1.428 . . . . 0.0 107.143 172.195 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 1.7 m -147.24 160.38 8.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 C-N-CA 124.289 1.036 . . . . 0.0 108.739 -174.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 3.6 m -89.23 130.86 35.57 Favored 'General case' 0 N--CA 1.441 -0.891 0 N-CA-C 105.251 -2.129 . . . . 0.0 105.251 169.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -96.21 140.42 30.92 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 107.436 -1.32 . . . . 0.0 107.436 170.045 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.39 99.75 4.05 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 -171.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 11.9 m -60.15 121.7 12.57 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 103.968 -2.604 . . . . 0.0 103.968 168.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -45.38 -32.37 2.05 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 125.669 1.587 . . . . 0.0 114.975 -168.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 38.8 t70 -67.9 -39.59 83.57 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 117.722 -1.132 . . . . 0.0 113.019 -179.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 173.58 -30.38 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.444 1.498 . . . . 0.0 114.757 173.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -54.82 128.86 34.94 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 123.89 0.876 . . . . 0.0 112.035 -168.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 2.7 t80 -124.25 127.35 47.55 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 124.897 1.279 . . . . 0.0 111.703 -168.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 4.0 p -151.75 177.49 10.34 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.154 1.382 . . . . 0.0 109.291 169.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -132.27 156.24 46.87 Favored 'General case' 0 CA--C 1.532 0.275 0 O-C-N 120.621 -1.299 . . . . 0.0 110.995 173.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.42 -163.09 23.87 Favored Glycine 0 CA--C 1.525 0.694 0 C-N-CA 126.508 2.004 . . . . 0.0 108.892 -170.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 4.0 t -130.54 142.52 43.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-N 119.127 1.464 . . . . 0.0 109.71 -171.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 85.9 t -66.54 126.17 25.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 173.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 87.3 mttt -133.21 21.07 4.04 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.878 0.871 . . . . 0.0 111.422 169.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -178.41 173.64 46.01 Favored Glycine 0 C--N 1.34 0.755 0 O-C-N 121.337 -0.852 . . . . 0.0 112.04 169.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 13.1 m80 -138.85 152.95 48.25 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 126.525 1.93 . . . . 0.0 110.166 -175.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 33.5 ttt85 . . . . . 0 C--O 1.231 0.09 0 N-CA-C 106.886 -1.524 . . . . 0.0 106.886 169.63 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 49.6 tp . . . . . 0 CA--C 1.518 -0.283 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -130.35 157.17 43.28 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 125.743 1.617 . . . . 0.0 109.431 -172.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -141.38 132.76 26.7 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 -174.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 14.9 t -82.57 106.95 14.84 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 102.202 -3.259 . . . . 0.0 102.202 168.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 25.8 mm -88.9 123.59 41.25 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 N-CA-C 105.418 -2.067 . . . . 0.0 105.418 171.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -84.4 118.31 24.17 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 104.047 -2.575 . . . . 0.0 104.047 168.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -144.45 135.11 24.79 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 105.405 -2.072 . . . . 0.0 105.405 -169.512 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 50.83 34.18 9.82 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 119.269 0.94 . . . . 0.0 112.066 -170.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 69.69 20.27 75.63 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 119.048 -0.862 . . . . 0.0 113.932 176.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -142.19 157.27 45.05 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 118.598 1.199 . . . . 0.0 108.98 178.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -98.11 132.36 43.71 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.635 0.774 . . . . 0.0 109.227 -169.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -140.83 128.88 22.04 Favored 'General case' 0 N--CA 1.457 -0.078 0 N-CA-C 106.758 -1.571 . . . . 0.0 106.758 -169.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 92.8 m95 -81.19 124.56 29.38 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 177.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -126.24 162.56 25.17 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 169.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -107.82 167.09 10.22 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.648 1.179 . . . . 0.0 110.591 -176.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1583 ' ' ARG . . . . . 0.419 HH21 ' CG ' ' A' 1536 ' ' ASP . 72.1 ttt180 -49.38 -44.17 44.73 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 119.905 1.229 . . . . 0.0 113.638 -176.611 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -72.99 -18.33 61.37 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 121.518 1.963 . . . . 0.0 113.934 178.325 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -95.27 -4.3 45.9 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 126.75 2.02 . . . . 0.0 110.825 176.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 87.7 t -120.21 90.39 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 N-CA-C 104.269 -2.493 . . . . 0.0 104.269 179.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 11.7 pt -110.91 159.17 11.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 106.566 -1.642 . . . . 0.0 106.566 -171.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 3.3 mt -103.44 114.24 28.37 Favored 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 -174.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.11 145.69 12.86 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 169.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.4 pp -53.71 -37.75 63.59 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 114.182 1.178 . . . . 0.0 114.182 -168.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 31.2 tp10 -66.78 -37.65 85.0 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 121.647 -0.658 . . . . 0.0 110.146 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -71.51 -49.25 42.82 Favored 'General case' 0 C--O 1.224 -0.246 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 -178.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -63.03 -28.37 71.97 Favored Glycine 0 C--N 1.34 0.765 0 CA-C-O 119.178 -0.79 . . . . 0.0 111.99 -178.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -59.84 -43.19 94.73 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 118.832 1.316 . . . . 0.0 111.615 173.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 20.3 mtt-85 -63.56 -16.92 62.15 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.546 0.572 . . . . 0.0 112.546 177.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 9.0 mp -93.99 -29.69 15.1 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 124.288 1.035 . . . . 0.0 110.708 171.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 67.5 ttp85 -57.58 -38.86 75.55 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.578 1.151 . . . . 0.0 111.642 -175.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -58.32 -21.6 49.99 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 118.144 -0.931 . . . . 0.0 113.15 178.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -115.16 -45.98 2.92 Favored 'General case' 0 C--N 1.346 0.43 0 CA-C-N 119.905 1.23 . . . . 0.0 112.243 178.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 9.2 m-30 -92.55 -8.68 43.73 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 124.482 1.113 . . . . 0.0 112.777 -169.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -53.14 131.34 41.59 Favored Glycine 0 CA--C 1.527 0.827 0 C-N-CA 125.791 1.662 . . . . 0.0 110.881 175.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.342 0.244 0 CA-C-N 118.497 1.148 . . . . 0.0 109.288 173.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 89.5 m-85 . . . . . 0 N--CA 1.466 0.364 0 N-CA-C 113.596 0.961 . . . . 0.0 113.596 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 5.2 t -57.51 113.29 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 C-N-CA 125.457 1.503 . . . . 0.0 108.656 -174.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 117.83 -23.36 9.47 Favored Glycine 0 CA--C 1.533 1.194 0 C-N-CA 125.671 1.605 . . . . 0.0 112.536 178.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 8.8 mp -75.24 139.61 42.68 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 118.904 1.352 . . . . 0.0 111.329 -172.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 49.8 mtp180 -79.52 127.03 31.64 Favored 'General case' 0 CA--C 1.529 0.148 0 N-CA-C 105.166 -2.161 . . . . 0.0 105.166 167.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 18.5 m -143.44 -178.29 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 C-N-CA 125.778 1.631 . . . . 0.0 107.181 -174.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 5.0 t -115.52 143.67 24.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 104.945 -2.243 . . . . 0.0 104.945 169.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -146.47 153.15 40.1 Favored 'General case' 0 CA--C 1.516 -0.328 0 C-N-CA 123.815 0.846 . . . . 0.0 108.935 -169.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 84.1 tttt -80.74 133.84 35.73 Favored 'General case' 0 CA--C 1.509 -0.601 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 178.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 13.6 t-105 . . . . . 0 N--CA 1.447 -0.601 0 N-CA-C 105.258 -2.127 . . . . 0.0 105.258 169.478 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 3.5 m-30 . . . . . 0 N--CA 1.474 0.743 0 CA-C-O 121.198 0.523 . . . . 0.0 110.633 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -111.51 119.77 39.88 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 -169.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -116.39 154.09 30.88 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 125.029 1.331 . . . . 0.0 108.549 -172.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 5.3 m -65.17 144.19 57.37 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 123.055 0.542 . . . . 0.0 110.742 173.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -169.29 178.97 42.18 Favored Glycine 0 N--CA 1.451 -0.344 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 178.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -125.34 128.36 48.08 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 125.67 1.588 . . . . 0.0 106.729 -173.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 20.4 mt -73.03 128.94 36.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 106.762 -1.57 . . . . 0.0 106.762 -178.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 69.5 p -104.6 -36.11 7.6 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 123.027 0.531 . . . . 0.0 110.178 -170.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -167.33 141.67 3.76 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.987 0.915 . . . . 0.0 111.535 176.599 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 7.2 t0 -70.06 103.68 2.35 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 125.06 1.344 . . . . 0.0 107.601 168.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.6 t -65.63 -50.47 71.36 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 C-N-CA 123.631 0.772 . . . . 0.0 109.311 -176.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 149.2 162.94 10.66 Favored Glycine 0 C--N 1.337 0.639 0 N-CA-C 109.65 -1.38 . . . . 0.0 109.65 177.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.61 11.2 0.82 Allowed 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 115.11 1.522 . . . . 0.0 115.11 177.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 102.32 -4.94 51.83 Favored Glycine 0 CA--C 1.524 0.632 0 C-N-CA 124.891 1.234 . . . . 0.0 111.545 -176.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 11.5 mtpp -75.44 133.99 40.98 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 120.606 2.203 . . . . 0.0 106.49 169.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -124.98 138.76 54.22 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 105.659 -1.978 . . . . 0.0 105.659 169.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -84.37 138.35 32.91 Favored 'General case' 0 CA--C 1.512 -0.506 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 176.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.2 mm? -125.65 118.47 25.73 Favored 'General case' 0 CA--C 1.512 -0.494 0 C-N-CA 125.018 1.327 . . . . 0.0 108.945 -169.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 41.1 tp -84.1 93.62 8.16 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 105.108 -2.182 . . . . 0.0 105.108 169.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -57.52 151.3 17.07 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 123.065 0.546 . . . . 0.0 109.567 174.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -69.32 -19.77 63.87 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.555 -171.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 38.1 p30 -80.49 2.49 25.08 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.026 1.331 . . . . 0.0 112.493 170.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 102.02 -3.79 52.13 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 125.502 1.525 . . . . 0.0 114.59 169.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -82.07 158.6 23.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 118.641 1.22 . . . . 0.0 110.476 -174.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -141.04 117.71 10.96 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 -176.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 99.5 m -144.68 167.97 21.3 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 126.257 1.823 . . . . 0.0 107.952 174.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -97.86 144.17 27.72 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 123.779 0.832 . . . . 0.0 109.931 177.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 86.1 t -144.41 136.16 21.76 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.367 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -170.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.9 mt -72.99 151.59 41.72 Favored 'General case' 0 CA--C 1.511 -0.53 0 C-N-CA 122.941 0.497 . . . . 0.0 111.528 178.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -56.67 -33.58 63.1 Favored Glycine 0 CA--C 1.526 0.752 0 C-N-CA 124.013 0.816 . . . . 0.0 112.896 178.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.16 -12.97 14.53 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.746 0.819 . . . . 0.0 112.781 174.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -120.77 22.61 11.08 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 126.233 1.813 . . . . 0.0 110.595 -173.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -133.1 137.7 53.04 Favored 'Isoleucine or valine' 0 C--N 1.346 0.427 0 N-CA-C 106.86 -1.533 . . . . 0.0 106.86 179.125 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 72.6 mt -119.25 114.09 21.87 Favored 'General case' 0 CA--C 1.52 -0.207 0 N-CA-C 104.481 -2.414 . . . . 0.0 104.481 -176.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.06 -3.73 17.17 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 116.586 2.069 . . . . 0.0 116.586 -168.754 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 17.2 p -132.21 49.06 2.35 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 106.793 -1.558 . . . . 0.0 106.793 -177.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 50.7 t0 -115.76 65.14 2.43 Favored Pre-proline 0 C--O 1.238 0.462 0 N-CA-C 116.351 1.982 . . . . 0.0 116.351 -168.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -73.37 123.41 8.68 Favored 'Trans proline' 0 CA--C 1.544 0.981 1 N-CA-C 100.073 -4.626 . . . . 0.0 100.073 165.314 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 5.2 mm -59.54 121.0 53.84 Favored Pre-proline 0 CA--C 1.541 0.597 0 CA-C-N 119.506 1.048 . . . . 0.0 109.307 -167.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -62.35 145.93 95.81 Favored 'Trans proline' 0 N--CA 1.451 -0.978 0 C-N-CA 121.776 1.651 . . . . 0.0 110.461 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 4.2 mp -60.52 148.45 37.81 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 169.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 25.3 t70 73.28 -4.83 2.1 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 127.16 2.184 . . . . 0.0 113.712 -175.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 25.0 m -68.72 132.53 46.99 Favored 'General case' 0 C--O 1.238 0.483 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 172.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -75.87 136.91 40.14 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 106.985 -1.487 . . . . 0.0 106.985 169.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 2.6 m -148.55 162.54 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 C-N-CA 124.559 1.144 . . . . 0.0 109.695 -174.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 3.5 m -89.13 130.19 35.61 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 105.821 -1.918 . . . . 0.0 105.821 169.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -97.07 138.64 34.28 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 171.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.4 99.29 3.8 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 123.55 0.74 . . . . 0.0 110.567 -169.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 18.4 m -61.93 122.93 16.67 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 104.258 -2.497 . . . . 0.0 104.258 169.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -51.63 -23.24 4.09 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 116.19 1.922 . . . . 0.0 116.19 -168.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 35.5 t70 -65.77 -53.41 40.79 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 119.259 0.936 . . . . 0.0 110.901 174.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -178.8 -20.67 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 169.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -53.2 126.37 20.7 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 119.93 1.241 . . . . 0.0 111.551 -169.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 11.2 t80 -122.45 128.52 50.98 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 124.339 1.056 . . . . 0.0 111.393 -168.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 2.6 p -151.63 176.92 10.88 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.956 1.302 . . . . 0.0 109.208 169.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -131.18 153.6 49.26 Favored 'General case' 0 CA--C 1.529 0.172 0 O-C-N 121.194 -0.941 . . . . 0.0 110.484 170.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -168.49 -159.65 14.6 Favored Glycine 0 CA--C 1.525 0.678 0 C-N-CA 126.414 1.959 . . . . 0.0 108.38 -169.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.3 t -132.67 142.02 43.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 CA-C-N 118.831 1.315 . . . . 0.0 110.109 -173.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 63.8 t -65.54 128.37 28.26 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.145 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 171.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 81.4 mttt -130.68 16.51 5.32 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.256 0.935 . . . . 0.0 111.941 169.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 179.77 179.74 48.79 Favored Glycine 0 C--N 1.335 0.513 0 O-C-N 121.458 -0.776 . . . . 0.0 111.942 172.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 9.0 m80 -141.97 155.65 45.45 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 126.378 1.871 . . . . 0.0 110.948 -173.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 56.9 ttt180 . . . . . 0 CA--C 1.526 0.035 0 C-N-CA 125.673 1.589 . . . . 0.0 107.595 170.372 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 37.8 tp . . . . . 0 N--CA 1.444 -0.771 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -124.27 155.76 38.07 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 125.234 1.414 . . . . 0.0 108.903 -173.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -140.13 127.43 21.23 Favored 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 106.119 -1.808 . . . . 0.0 106.119 -173.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.1 p -85.2 96.77 9.59 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 104.688 -2.338 . . . . 0.0 104.688 169.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 40.9 mm -77.41 133.55 30.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 105.865 -1.902 . . . . 0.0 105.865 176.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -96.45 129.34 43.83 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 105.227 -2.138 . . . . 0.0 105.227 168.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 25.4 ttpt -144.7 141.17 29.1 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 105.642 -1.984 . . . . 0.0 105.642 178.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 52.45 25.31 3.46 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 119.466 1.03 . . . . 0.0 113.106 -177.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 71.2 22.79 78.53 Favored Glycine 0 CA--C 1.531 1.091 0 O-C-N 121.436 -0.79 . . . . 0.0 113.142 -179.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -129.33 147.39 51.16 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 173.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 82.3 mtm-85 -98.71 136.16 39.17 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 -178.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -140.14 130.43 25.21 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 106.342 -1.725 . . . . 0.0 106.342 -169.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 88.5 m95 -80.49 130.72 35.32 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 178.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -132.74 161.57 33.68 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.869 1.268 . . . . 0.0 107.756 169.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -105.57 165.85 10.86 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.918 1.287 . . . . 0.0 109.736 -177.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 46.0 ttt180 -49.89 -49.33 50.01 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-N 120.327 1.422 . . . . 0.0 112.896 -173.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 3.1 ppp? -70.29 -14.86 62.78 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 120.414 1.461 . . . . 0.0 114.135 -179.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -93.79 -2.86 53.05 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 126.227 1.811 . . . . 0.0 110.825 172.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 60.7 t -119.79 91.38 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.621 0 N-CA-C 105.796 -1.928 . . . . 0.0 105.796 177.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 8.2 pt -112.84 168.13 5.53 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 -172.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 5.1 mt -121.07 124.5 44.94 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 -171.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 5.0 m -61.38 148.12 42.61 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 106.507 -1.664 . . . . 0.0 106.507 169.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.7 pp -55.79 -37.61 68.81 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.467 -0.771 . . . . 0.0 112.702 -169.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -77.41 -23.52 50.62 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 121.633 -0.667 . . . . 0.0 110.745 -175.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -71.65 -49.29 41.25 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 107.159 -1.423 . . . . 0.0 107.159 170.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -63.22 -29.25 73.89 Favored Glycine 0 C--N 1.339 0.744 0 C-N-CA 123.789 0.709 . . . . 0.0 112.681 -177.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -58.03 -41.44 83.18 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 118.691 1.245 . . . . 0.0 111.39 175.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -58.61 -26.15 63.38 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 118.952 0.796 . . . . 0.0 112.022 177.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 7.5 mp -91.43 -28.32 17.72 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 124.405 1.082 . . . . 0.0 110.535 178.014 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -56.6 -41.35 76.86 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.954 1.302 . . . . 0.0 110.488 -175.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -59.47 -18.29 38.53 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.939 1.088 . . . . 0.0 113.939 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -115.16 -48.61 2.81 Favored 'General case' 0 C--N 1.345 0.412 0 CA-C-N 120.272 1.396 . . . . 0.0 112.177 176.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -92.39 -10.94 36.3 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 124.593 1.157 . . . . 0.0 112.176 -170.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -54.17 131.07 45.05 Favored Glycine 0 CA--C 1.522 0.491 0 C-N-CA 125.444 1.497 . . . . 0.0 110.105 177.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.233 0.194 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 171.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 93.4 m-85 . . . . . 0 N--CA 1.466 0.359 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 5.2 t -57.36 114.71 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 C-N-CA 125.272 1.429 . . . . 0.0 108.988 -175.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 113.86 -18.26 19.51 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 125.315 1.436 . . . . 0.0 112.845 178.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 10.1 mp -77.31 138.79 39.57 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 118.831 1.316 . . . . 0.0 110.792 -173.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 57.0 mtm180 -78.65 126.64 31.02 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 105.482 -2.044 . . . . 0.0 105.482 168.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 17.1 m -145.55 -176.74 0.64 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.397 0 C-N-CA 125.091 1.356 . . . . 0.0 107.465 -173.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 3.4 t -118.4 144.71 25.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 105.419 -2.067 . . . . 0.0 105.419 169.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -146.5 152.16 38.55 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.178 0.991 . . . . 0.0 109.142 -169.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 79.7 tttt -82.21 131.07 35.23 Favored 'General case' 0 CA--C 1.513 -0.453 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 178.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 26.5 t-105 . . . . . 0 N--CA 1.45 -0.431 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 169.318 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A 1500 ' ' TYR . . . . . 0.43 ' CG ' ' HA ' ' A' 1589 ' ' SER . 13.4 m-30 . . . . . 0 C--O 1.234 0.269 0 CA-C-O 121.502 0.668 . . . . 0.0 110.597 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 2.8 m-30 -92.84 108.9 20.35 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.447 -1.686 . . . . 0.0 106.447 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -101.65 155.92 17.81 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.892 1.277 . . . . 0.0 107.729 -178.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 6.0 m -71.33 148.96 46.56 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 121.55 -0.719 . . . . 0.0 111.334 176.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -165.39 -179.45 39.19 Favored Glycine 0 C--N 1.333 0.397 0 N-CA-C 112.164 -0.375 . . . . 0.0 112.164 174.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.97 135.89 53.55 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 106.2 -1.778 . . . . 0.0 106.2 175.073 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 17.8 mt -72.87 132.08 33.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 175.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 72.6 p -107.46 -36.79 6.39 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 123.106 0.562 . . . . 0.0 110.637 -171.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -165.45 141.07 5.19 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 123.894 0.878 . . . . 0.0 111.265 175.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 7.0 t0 -69.36 103.91 2.12 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 125.014 1.326 . . . . 0.0 107.802 168.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.4 t -66.4 -50.28 68.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 -176.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 146.32 164.47 10.97 Favored Glycine 0 C--N 1.34 0.798 0 N-CA-C 109.714 -1.354 . . . . 0.0 109.714 178.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 59.1 7.15 0.79 Allowed 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 177.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 105.27 -6.86 42.95 Favored Glycine 0 C--N 1.338 0.646 0 C-N-CA 124.412 1.006 . . . . 0.0 111.205 -173.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 42.3 mtmt -75.69 136.69 40.37 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 120.468 2.134 . . . . 0.0 107.41 169.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -127.33 137.26 52.76 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 105.099 -2.186 . . . . 0.0 105.099 169.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -82.93 139.25 33.48 Favored 'General case' 0 CA--C 1.51 -0.565 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 176.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 2.9 mm? -125.12 119.85 29.76 Favored 'General case' 0 CA--C 1.51 -0.585 0 C-N-CA 124.961 1.304 . . . . 0.0 108.659 -169.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 32.1 tp -84.38 95.88 8.89 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 103.835 -2.654 . . . . 0.0 103.835 169.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -58.9 144.47 44.53 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 171.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -65.86 -19.16 65.78 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -170.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -79.33 -0.1 31.15 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.974 1.309 . . . . 0.0 113.649 173.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 108.99 -3.69 31.76 Favored Glycine 0 CA--C 1.531 1.064 0 C-N-CA 125.495 1.521 . . . . 0.0 114.2 169.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -85.65 157.74 20.26 Favored 'General case' 0 CA--C 1.528 0.106 0 CA-C-N 118.165 0.982 . . . . 0.0 110.112 -173.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -141.37 121.62 13.91 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 -178.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 57.4 m -147.86 167.81 23.82 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.501 1.521 . . . . 0.0 107.986 171.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -85.87 143.12 28.41 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 175.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 91.2 t -141.14 137.83 33.8 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 N-CA-C 107.613 -1.254 . . . . 0.0 107.613 -179.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 7.0 mt -77.55 152.65 33.93 Favored 'General case' 0 CA--C 1.512 -0.509 0 C-N-CA 123.31 0.644 . . . . 0.0 111.889 179.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -56.72 -37.13 75.18 Favored Glycine 0 CA--C 1.522 0.52 0 C-N-CA 123.918 0.771 . . . . 0.0 113.171 -178.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -8.0 18.12 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 175.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -116.22 22.29 13.0 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.658 1.583 . . . . 0.0 111.725 -179.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -133.82 139.43 48.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 179.357 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 72.7 mt -120.32 115.36 23.4 Favored 'General case' 0 CA--C 1.52 -0.196 0 N-CA-C 104.756 -2.313 . . . . 0.0 104.756 -177.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.16 -3.14 17.53 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 116.633 2.086 . . . . 0.0 116.633 -168.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 23.9 p -135.63 50.07 2.13 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 106.195 -1.779 . . . . 0.0 106.195 -177.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 48.5 t0 -114.54 57.59 0.92 Allowed Pre-proline 0 CA--C 1.541 0.599 0 N-CA-C 115.81 1.781 . . . . 0.0 115.81 -168.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -68.1 121.57 8.58 Favored 'Trans proline' 0 CA--C 1.543 0.93 1 N-CA-C 100.626 -4.413 . . . . 0.0 100.626 166.347 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 5.0 mm -59.56 122.64 66.1 Favored Pre-proline 0 CA--C 1.54 0.558 0 CA-C-N 118.886 0.766 . . . . 0.0 109.091 -167.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -61.43 144.8 98.4 Favored 'Trans proline' 0 N--CA 1.452 -0.939 0 C-N-CA 121.801 1.667 . . . . 0.0 110.637 177.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 3.9 mp -59.89 148.58 34.39 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 169.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 22.2 t70 74.91 -5.31 2.18 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.878 2.071 . . . . 0.0 113.638 -175.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 22.0 m -70.17 134.61 48.28 Favored 'General case' 0 C--O 1.238 0.455 0 O-C-N 120.87 -1.144 . . . . 0.0 108.199 170.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -76.15 138.3 40.63 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 170.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 1.2 m -147.61 160.06 8.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 124.768 1.227 . . . . 0.0 109.898 -175.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 3.1 m -89.34 131.02 35.62 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 105.505 -2.035 . . . . 0.0 105.505 169.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -97.22 140.4 31.76 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 171.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.31 98.76 3.68 Favored 'General case' 0 CA--C 1.519 -0.238 0 C-N-CA 123.697 0.799 . . . . 0.0 109.601 -170.198 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 11.1 m -61.47 121.94 13.95 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 105.094 -2.187 . . . . 0.0 105.094 169.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -45.77 -33.49 3.1 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 126.139 1.775 . . . . 0.0 114.954 -168.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 38.9 t70 -64.09 -47.46 79.98 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 118.268 -0.872 . . . . 0.0 111.316 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 177.68 -24.27 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.429 1.492 . . . . 0.0 114.879 170.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -53.71 127.57 26.19 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 119.337 0.972 . . . . 0.0 111.996 -168.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 9.3 t80 -120.94 127.95 52.3 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 124.922 1.289 . . . . 0.0 110.604 -168.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 1.6 p -152.27 177.38 10.62 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.543 1.537 . . . . 0.0 109.058 173.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -136.58 159.23 42.44 Favored 'General case' 0 N--CA 1.468 0.454 0 O-C-N 120.474 -1.391 . . . . 0.0 111.321 173.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -171.51 -159.02 16.74 Favored Glycine 0 CA--C 1.528 0.866 0 C-N-CA 126.075 1.797 . . . . 0.0 108.688 -172.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.2 t -131.59 143.27 40.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-N 118.577 1.189 . . . . 0.0 109.277 -175.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 84.6 t -65.44 126.12 23.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 N-CA-C 108.515 -0.921 . . . . 0.0 108.515 173.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 82.5 mttt -132.05 21.18 4.5 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 119.368 0.985 . . . . 0.0 112.098 170.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 179.2 176.97 47.35 Favored Glycine 0 C--N 1.336 0.576 0 O-C-N 121.519 -0.738 . . . . 0.0 111.432 169.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 9.8 m80 -141.81 154.32 45.12 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 126.669 1.988 . . . . 0.0 110.861 -172.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 54.6 ttt180 . . . . . 0 N--CA 1.461 0.098 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 170.01 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 33.0 tp . . . . . 0 N--CA 1.452 -0.35 0 CA-C-O 121.06 0.457 . . . . 0.0 109.781 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -127.54 157.35 40.39 Favored 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 125.84 1.656 . . . . 0.0 109.139 -174.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -141.61 134.1 28.27 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 106.786 -1.561 . . . . 0.0 106.786 -174.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.44 97.71 11.02 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 104.565 -2.384 . . . . 0.0 104.565 169.569 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 36.5 mm -77.84 129.35 37.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 106.401 -1.703 . . . . 0.0 106.401 178.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -83.58 119.12 24.33 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 103.092 -2.929 . . . . 0.0 103.092 168.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 24.3 ttpt -141.68 135.69 30.13 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 105.011 -2.218 . . . . 0.0 105.011 -172.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 54.58 27.04 7.95 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 123.203 0.601 . . . . 0.0 111.841 -173.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 79.42 14.61 81.22 Favored Glycine 0 CA--C 1.533 1.161 0 CA-C-O 119.128 -0.818 . . . . 0.0 113.444 175.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -142.39 154.45 44.63 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 118.547 1.174 . . . . 0.0 109.594 179.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -81.0 141.27 34.58 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 121.341 -0.85 . . . . 0.0 109.207 -175.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -142.96 129.45 20.12 Favored 'General case' 0 C--O 1.226 -0.142 0 N-CA-C 106.046 -1.835 . . . . 0.0 106.046 -178.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 89.1 m95 -80.59 132.02 35.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 118.936 0.789 . . . . 0.0 109.95 178.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -134.57 166.6 22.53 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.332 1.453 . . . . 0.0 107.852 169.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -109.82 165.16 11.92 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.871 1.268 . . . . 0.0 109.875 -177.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 65.8 ttp85 -42.85 -55.53 3.65 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.642 1.177 . . . . 0.0 113.625 -178.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 2.1 ppp? -71.88 -15.11 62.11 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 120.217 1.371 . . . . 0.0 114.058 -178.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -92.08 -2.14 56.81 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 125.873 1.669 . . . . 0.0 110.9 171.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 89.7 t -120.95 90.15 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.757 0 N-CA-C 105.282 -2.118 . . . . 0.0 105.282 176.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 9.2 pt -107.92 163.61 5.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 -172.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 10.8 mt -115.39 118.82 34.3 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 106.789 -1.56 . . . . 0.0 106.789 -174.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1589 ' ' SER . . . . . 0.43 ' HA ' ' CG ' ' A' 1500 ' ' TYR . 3.4 m -55.96 148.52 17.14 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 169.184 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.3 pp -53.2 -38.32 62.75 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 -168.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 24.3 tp10 -70.29 -40.78 74.08 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 118.993 0.815 . . . . 0.0 109.823 179.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -58.73 -46.31 87.66 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 176.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -66.25 -35.2 90.03 Favored Glycine 0 CA--C 1.525 0.711 0 C-N-CA 123.55 0.595 . . . . 0.0 112.413 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -58.35 -35.53 72.07 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 118.67 1.235 . . . . 0.0 110.431 174.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 -58.76 -17.86 26.79 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 118.715 0.689 . . . . 0.0 112.603 178.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 1.7 mp -110.88 -18.07 13.18 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 124.501 1.12 . . . . 0.0 111.635 178.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -56.17 -38.87 71.5 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.086 0.954 . . . . 0.0 110.272 178.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -56.26 -23.31 35.44 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 117.749 -1.12 . . . . 0.0 113.681 178.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -115.69 -47.26 2.81 Favored 'General case' 0 C--N 1.349 0.548 0 CA-C-N 120.307 1.412 . . . . 0.0 112.484 177.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.0 m-30 -94.02 -7.76 41.8 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 124.348 1.059 . . . . 0.0 112.623 -169.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -54.04 129.97 43.21 Favored Glycine 0 N--CA 1.445 -0.751 0 N-CA-C 109.76 -1.336 . . . . 0.0 109.76 175.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.235 0.319 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 170.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 96.6 m-85 . . . . . 0 N--CA 1.466 0.372 0 N-CA-C 113.99 1.108 . . . . 0.0 113.99 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 21.4 t -58.21 112.28 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 C-N-CA 125.164 1.386 . . . . 0.0 109.307 -175.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 119.53 -24.32 8.11 Favored Glycine 0 CA--C 1.53 0.969 0 C-N-CA 125.1 1.333 . . . . 0.0 112.81 -179.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 10.2 mp -74.62 138.94 43.28 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 118.641 1.221 . . . . 0.0 110.751 -173.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -79.78 126.83 31.47 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 105.318 -2.104 . . . . 0.0 105.318 168.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 17.7 m -143.83 -171.46 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 C-N-CA 125.906 1.683 . . . . 0.0 107.905 -174.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 4.1 t -123.88 146.12 29.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 105.464 -2.05 . . . . 0.0 105.464 169.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -145.14 151.62 38.76 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 124.664 1.185 . . . . 0.0 108.7 -170.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 70.7 tttt -83.26 129.0 34.97 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -178.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 19.6 t-105 . . . . . 0 N--CA 1.445 -0.708 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 168.913 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 12.8 m-30 . . . . . 0 C--O 1.236 0.346 0 CA-C-O 121.266 0.555 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -85.69 111.16 19.84 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 174.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -101.2 149.04 24.4 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.93 1.292 . . . . 0.0 109.037 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 3.8 m -71.95 147.74 46.68 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.289 0.636 . . . . 0.0 109.998 178.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -174.2 -175.68 42.0 Favored Glycine 0 C--N 1.333 0.38 0 O-C-N 121.722 -0.612 . . . . 0.0 111.965 -175.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -128.7 129.93 46.46 Favored 'General case' 0 CA--C 1.511 -0.533 0 C-N-CA 126.082 1.753 . . . . 0.0 106.825 -172.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 11.9 mt -71.47 133.24 32.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 177.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 42.6 p -109.44 -30.28 8.02 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 123.433 0.693 . . . . 0.0 109.648 -173.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 18.3 ttt-85 -167.48 154.16 8.19 Favored 'General case' 0 CA--C 1.517 -0.311 0 C-N-CA 123.199 0.6 . . . . 0.0 112.016 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 9.9 t70 -84.11 109.71 17.91 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 102.094 -3.299 . . . . 0.0 102.094 166.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.8 t -69.12 -50.17 55.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 -178.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 155.63 160.45 9.97 Favored Glycine 0 C--N 1.339 0.748 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 175.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.46 11.24 0.8 Allowed 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 115.788 1.773 . . . . 0.0 115.788 173.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 110.12 -7.83 31.03 Favored Glycine 0 C--N 1.337 0.585 0 C-N-CA 124.68 1.133 . . . . 0.0 111.105 -177.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.57 140.73 44.61 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 119.974 1.887 . . . . 0.0 107.164 169.582 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -129.22 136.53 50.24 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 105.503 -2.036 . . . . 0.0 105.503 169.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 29.7 ttpt -83.77 137.17 33.86 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 175.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 2.8 mm? -124.35 118.53 26.94 Favored 'General case' 0 CA--C 1.512 -0.501 0 C-N-CA 124.812 1.245 . . . . 0.0 108.394 -169.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 36.4 tp -83.91 93.89 8.13 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 104.267 -2.494 . . . . 0.0 104.267 169.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -55.83 148.62 16.39 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 172.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -65.53 -17.98 64.97 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -169.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 32.2 p-10 -84.71 -0.08 52.33 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.597 1.559 . . . . 0.0 113.2 173.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 105.88 -2.48 38.6 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 125.12 1.343 . . . . 0.0 114.227 169.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -81.45 154.71 26.22 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.323 1.062 . . . . 0.0 109.64 -176.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -140.98 118.19 11.32 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 -175.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 60.0 m -144.41 161.45 38.98 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.09 1.356 . . . . 0.0 108.036 176.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -79.7 144.36 33.76 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 171.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 81.6 t -142.24 139.96 29.51 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.242 0 C-N-CA 124.684 1.194 . . . . 0.0 107.875 177.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 5.2 mt -77.66 149.78 34.65 Favored 'General case' 0 CA--C 1.513 -0.459 0 O-C-N 121.535 -0.728 . . . . 0.0 112.437 178.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -55.11 -37.09 62.68 Favored Glycine 0 C--N 1.332 0.321 0 C-N-CA 124.123 0.868 . . . . 0.0 113.826 -177.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.47 -22.29 64.94 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 118.874 1.337 . . . . 0.0 112.846 176.668 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -99.65 18.77 17.23 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.459 1.504 . . . . 0.0 111.964 -175.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 1.2 mt -128.51 136.74 59.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 N-CA-C 107.405 -1.332 . . . . 0.0 107.405 -178.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 65.4 mt -119.43 112.02 18.88 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 104.36 -2.459 . . . . 0.0 104.36 -173.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.74 -3.3 16.84 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 116.799 2.148 . . . . 0.0 116.799 -169.086 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 24.7 p -128.84 56.21 1.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 104.828 -2.286 . . . . 0.0 104.828 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1536 ' ' ASP . . . . . 0.411 ' CG ' HH21 ' A' 1583 ' ' ARG . 5.8 p-10 -98.22 16.71 0.05 OUTLIER Pre-proline 0 CA--C 1.544 0.721 0 N-CA-C 121.301 3.815 . . . . 0.0 121.301 -167.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -56.48 115.62 2.61 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 CA-C-N 125.256 2.913 . . . . 0.0 105.857 168.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 15.7 mm -60.85 123.31 74.38 Favored Pre-proline 0 CA--C 1.534 0.365 0 CA-C-O 118.491 -0.766 . . . . 0.0 109.679 -167.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -64.4 141.69 75.6 Favored 'Trans proline' 0 N--CA 1.454 -0.801 0 C-N-CA 121.764 1.643 . . . . 0.0 109.962 174.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 4.8 mp -58.6 149.03 26.8 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 177.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 4.7 t70 77.0 -5.77 2.13 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 126.896 2.079 . . . . 0.0 113.435 -176.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 28.7 m -67.32 139.67 57.25 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 169.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -87.47 139.08 30.91 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 106.696 -1.594 . . . . 0.0 106.696 174.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 1.6 m -147.48 161.52 7.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 C-N-CA 124.499 1.12 . . . . 0.0 108.518 -170.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 8.5 m -89.59 140.48 29.51 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 105.987 -1.857 . . . . 0.0 105.987 169.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -113.37 141.17 47.37 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 106.738 -1.578 . . . . 0.0 106.738 174.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 3.7 mt -138.7 108.04 6.13 Favored 'General case' 0 CA--C 1.513 -0.443 0 C-N-CA 124.283 1.033 . . . . 0.0 108.524 -174.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 2.4 m -65.97 156.48 33.49 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 106.281 -1.748 . . . . 0.0 106.281 168.299 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -67.09 14.13 0.05 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.896 1.678 . . . . 0.0 114.755 -169.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 22.8 t0 -143.12 54.06 1.36 Allowed 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.583 1.553 . . . . 0.0 109.724 178.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1551 ' ' GLU . . . . . . . . . . . . 0.276 7.5 pt-20 54.94 22.4 4.3 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 117.126 2.269 . . . . 0.0 117.126 174.01 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -76.64 77.63 3.3 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 169.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 8.6 t80 -66.03 131.07 45.34 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 125.387 1.475 . . . . 0.0 110.146 170.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 4.6 p -152.39 177.37 10.67 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.005 1.722 . . . . 0.0 108.551 169.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -139.8 155.7 47.13 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 120.434 1.47 . . . . 0.0 111.152 172.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.43 -162.24 22.41 Favored Glycine 0 CA--C 1.53 0.998 0 C-N-CA 126.22 1.867 . . . . 0.0 108.784 -172.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.3 t -129.69 143.54 40.79 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.364 0 CA-C-N 118.599 1.2 . . . . 0.0 109.207 -173.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 99.1 t -66.33 126.02 24.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 172.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -127.57 13.46 7.0 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 118.902 0.774 . . . . 0.0 111.122 170.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 178.91 -179.91 48.77 Favored Glycine 0 C--N 1.337 0.603 0 CA-C-N 118.762 0.71 . . . . 0.0 112.353 173.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 13.2 m80 -141.44 154.37 45.54 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 126.652 1.981 . . . . 0.0 110.621 -172.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 . . . . . 0 N--CA 1.461 0.081 0 C-N-CA 125.538 1.535 . . . . 0.0 107.521 169.977 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 52.1 tp . . . . . 0 N--CA 1.445 -0.681 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -124.9 156.55 37.75 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 124.909 1.284 . . . . 0.0 108.784 -174.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -138.09 129.6 27.9 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 106.419 -1.697 . . . . 0.0 106.419 -176.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.2 p -85.49 96.66 9.68 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 104.82 -2.289 . . . . 0.0 104.82 169.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 40.8 mm -79.21 127.59 38.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 N-CA-C 106.315 -1.735 . . . . 0.0 106.315 178.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -84.26 120.91 26.79 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 103.64 -2.726 . . . . 0.0 103.64 168.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 24.1 ttpt -143.51 133.28 23.85 Favored 'General case' 0 CA--C 1.509 -0.601 0 N-CA-C 104.396 -2.446 . . . . 0.0 104.396 -170.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 56.73 24.29 8.86 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 118.511 0.596 . . . . 0.0 112.101 -175.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 77.95 17.94 77.68 Favored Glycine 0 C--N 1.345 1.074 0 O-C-N 121.397 -0.814 . . . . 0.0 113.003 176.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -141.62 161.24 38.42 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 125.113 1.365 . . . . 0.0 108.222 177.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -105.02 138.92 40.47 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 119.717 1.144 . . . . 0.0 110.069 -169.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -142.55 132.98 24.98 Favored 'General case' 0 CA--C 1.523 -0.093 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 -169.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 90.0 m95 -81.04 130.49 35.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 118.593 0.633 . . . . 0.0 109.811 177.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -132.19 159.6 38.52 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 169.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -100.78 164.61 11.77 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.575 1.15 . . . . 0.0 110.312 -176.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1583 ' ' ARG . . . . . 0.411 HH21 ' CG ' ' A' 1536 ' ' ASP . 77.5 ttt180 -50.22 -45.13 53.59 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.703 1.138 . . . . 0.0 113.095 -177.423 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -71.08 -23.45 62.12 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 121.215 1.825 . . . . 0.0 112.938 178.26 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -81.65 -15.39 54.73 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 118.569 -0.729 . . . . 0.0 111.027 175.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 84.6 t -111.68 91.95 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 N-CA-C 105.891 -1.892 . . . . 0.0 105.891 -174.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 9.8 pt -107.64 164.89 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 -175.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 3.9 mt -107.69 116.01 31.17 Favored 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 106.399 -1.704 . . . . 0.0 106.399 -178.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.62 148.89 8.87 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 107.246 -1.39 . . . . 0.0 107.246 169.462 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.6 pp -55.43 -35.8 65.81 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 119.424 1.011 . . . . 0.0 113.111 -168.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 30.8 tp10 -66.23 -39.67 89.74 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 121.654 -0.654 . . . . 0.0 110.515 178.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -66.37 -52.05 50.89 Favored 'General case' 0 C--O 1.226 -0.157 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 178.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -61.99 -28.63 70.74 Favored Glycine 0 C--N 1.339 0.735 0 CA-C-O 119.145 -0.808 . . . . 0.0 111.728 -175.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -60.45 -45.36 93.98 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 118.796 1.298 . . . . 0.0 111.486 174.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 22.4 mtt-85 -62.57 -17.83 60.85 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 122.916 0.486 . . . . 0.0 112.159 177.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 10.1 mp -93.68 -29.7 15.29 Favored 'General case' 0 C--O 1.224 -0.283 0 C-N-CA 123.787 0.835 . . . . 0.0 110.975 172.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 64.9 ttp85 -57.72 -38.19 74.86 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 119.935 1.243 . . . . 0.0 111.733 -174.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -57.64 -22.87 48.2 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 118.245 -0.884 . . . . 0.0 112.908 178.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -114.89 -45.68 2.96 Favored 'General case' 0 C--N 1.346 0.444 0 CA-C-N 119.538 1.063 . . . . 0.0 112.634 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 7.3 m-30 -92.71 -8.92 42.54 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 124.239 1.016 . . . . 0.0 112.328 -169.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -56.31 130.27 49.36 Favored Glycine 0 CA--C 1.526 0.745 0 C-N-CA 125.233 1.397 . . . . 0.0 110.805 179.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.468 0.461 0 CA-C-N 118.367 1.083 . . . . 0.0 108.851 174.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 83.4 m-85 . . . . . 0 C--O 1.224 -0.258 0 CA-C-O 120.807 0.337 . . . . 0.0 110.143 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 17.7 t -59.81 115.93 1.43 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 C-N-CA 124.264 1.026 . . . . 0.0 108.654 -174.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 116.84 -24.61 9.41 Favored Glycine 0 CA--C 1.531 1.044 0 C-N-CA 124.832 1.206 . . . . 0.0 112.119 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 9.7 mp -73.35 138.56 45.43 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 118.829 1.315 . . . . 0.0 110.998 -174.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 75.2 mtt85 -80.52 126.32 31.08 Favored 'General case' 0 N--CA 1.462 0.157 0 N-CA-C 105.307 -2.109 . . . . 0.0 105.307 168.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 18.6 m -144.63 -172.19 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 C-N-CA 125.535 1.534 . . . . 0.0 107.739 -172.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.8 t -121.55 147.75 25.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 105.965 -1.865 . . . . 0.0 105.965 170.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -145.59 150.1 35.75 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 124.512 1.125 . . . . 0.0 108.557 -172.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 74.7 tttt -81.99 134.15 35.35 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 107.605 -1.258 . . . . 0.0 107.605 177.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 18.8 t-105 . . . . . 0 N--CA 1.441 -0.907 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 169.148 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A 1500 ' ' TYR . . . . . 0.409 ' CG ' ' HA ' ' A' 1589 ' ' SER . 7.7 m-30 . . . . . 0 C--O 1.234 0.256 0 CA-C-O 121.536 0.684 . . . . 0.0 110.435 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -96.95 108.65 21.41 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 106.198 -1.779 . . . . 0.0 106.198 -178.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -105.43 151.43 24.25 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 125.034 1.334 . . . . 0.0 108.963 -174.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 4.2 m -67.42 145.54 54.92 Favored 'General case' 0 CA--C 1.534 0.365 0 O-C-N 121.788 -0.57 . . . . 0.0 110.501 176.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -167.02 179.04 40.99 Favored Glycine 0 C--O 1.226 -0.358 0 N-CA-C 111.824 -0.511 . . . . 0.0 111.824 177.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -123.08 129.8 51.94 Favored 'General case' 0 CA--C 1.512 -0.508 0 N-CA-C 106.234 -1.765 . . . . 0.0 106.234 -176.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 13.8 mt -71.08 133.03 32.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 179.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 35.7 p -109.21 -28.7 8.88 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 123.512 0.725 . . . . 0.0 109.656 -174.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 20.9 ttt-85 -167.79 154.8 8.18 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.124 178.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 4.0 t70 -85.6 106.04 16.62 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 102.076 -3.305 . . . . 0.0 102.076 167.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.6 t -67.19 -49.11 75.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 -178.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 144.63 169.12 13.05 Favored Glycine 0 C--N 1.335 0.528 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 175.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 57.4 8.94 0.66 Allowed 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 178.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 106.25 -8.38 41.37 Favored Glycine 0 CA--C 1.524 0.598 0 C-N-CA 125.59 1.566 . . . . 0.0 111.231 -176.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 30.3 mtpt -75.23 138.42 41.9 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 119.593 1.696 . . . . 0.0 108.23 172.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -127.39 137.6 52.79 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 105.626 -1.99 . . . . 0.0 105.626 169.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -85.09 137.79 32.82 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 176.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.2 mm? -125.33 119.05 27.29 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 125.007 1.323 . . . . 0.0 108.75 -169.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 40.1 tp -84.04 93.21 8.04 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 104.916 -2.253 . . . . 0.0 104.916 168.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -56.23 148.59 18.01 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 173.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -66.21 -18.86 65.61 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -169.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 26.7 p-10 -84.0 3.65 33.39 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.55 1.14 . . . . 0.0 113.112 172.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 103.09 -1.62 47.53 Favored Glycine 0 CA--C 1.531 1.051 0 C-N-CA 125.158 1.361 . . . . 0.0 114.54 169.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -80.73 157.36 25.87 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 118.283 1.041 . . . . 0.0 109.669 -177.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -140.92 120.56 13.32 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -177.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 89.4 m -147.18 167.22 24.73 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.935 1.694 . . . . 0.0 107.877 172.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -91.07 144.06 26.04 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 124.242 1.017 . . . . 0.0 109.464 175.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 90.1 t -143.37 139.71 26.47 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.23 0 N-CA-C 107.332 -1.358 . . . . 0.0 107.332 -176.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 7.2 mt -78.38 152.26 32.36 Favored 'General case' 0 CA--C 1.513 -0.475 0 O-C-N 121.823 -0.548 . . . . 0.0 112.3 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -52.17 -40.38 51.92 Favored Glycine 0 CA--C 1.523 0.549 0 C-N-CA 124.986 1.279 . . . . 0.0 113.613 -179.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1530 ' ' LYS . . . . . . . . . . . . 0.254 0.0 OUTLIER -64.59 -14.11 56.29 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 118.851 1.325 . . . . 0.0 113.129 178.715 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -110.17 20.28 18.04 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.948 1.699 . . . . 0.0 111.561 -176.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -131.03 132.12 63.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 N-CA-C 106.128 -1.804 . . . . 0.0 106.128 178.694 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 8.1 mp -117.49 118.03 31.06 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 103.979 -2.6 . . . . 0.0 103.979 -174.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.59 -2.38 14.6 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 117.194 2.294 . . . . 0.0 117.194 -168.693 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 25.2 p -130.1 52.69 1.99 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 105.086 -2.19 . . . . 0.0 105.086 -179.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -99.42 16.56 0.05 OUTLIER Pre-proline 0 CA--C 1.544 0.724 0 N-CA-C 121.709 3.966 . . . . 0.0 121.709 -167.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -54.91 118.97 5.74 Favored 'Trans proline' 0 CA--C 1.542 0.88 0 CA-C-N 125.264 2.916 . . . . 0.0 106.067 169.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 7.4 mm -60.55 123.99 76.59 Favored Pre-proline 0 CA--C 1.536 0.44 0 CA-C-O 118.395 -0.812 . . . . 0.0 109.771 -167.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -63.84 139.98 71.19 Favored 'Trans proline' 0 N--CA 1.452 -0.959 0 C-N-CA 121.976 1.784 . . . . 0.0 110.355 172.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 4.0 mp -55.41 148.62 14.82 Favored 'General case' 0 CA--C 1.532 0.281 0 O-C-N 121.786 -0.571 . . . . 0.0 109.771 172.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 6.4 t70 75.22 -4.73 2.31 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 127.229 2.212 . . . . 0.0 113.259 -177.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 28.5 m -69.0 138.35 54.45 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 108.428 -0.952 . . . . 0.0 108.428 170.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -79.01 137.08 37.41 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 171.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 1.9 m -145.15 164.58 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 C-N-CA 124.434 1.094 . . . . 0.0 109.39 -176.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 15.5 m -90.18 139.87 30.22 Favored 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 105.654 -1.98 . . . . 0.0 105.654 169.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -116.23 138.7 51.07 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 107.132 -1.433 . . . . 0.0 107.132 175.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.05 110.96 7.22 Favored 'General case' 0 CA--C 1.514 -0.438 0 C-N-CA 123.293 0.637 . . . . 0.0 111.701 -169.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 7.8 m -66.3 125.36 25.36 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 102.625 -3.102 . . . . 0.0 102.625 167.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -52.19 -22.67 4.55 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 115.992 1.849 . . . . 0.0 115.992 -168.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 37.0 t70 -66.65 -47.19 73.31 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 118.981 0.81 . . . . 0.0 111.423 177.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 175.54 -22.42 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.771 1.628 . . . . 0.0 114.158 173.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -56.8 123.38 14.82 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 119.521 1.055 . . . . 0.0 109.697 -169.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 2.1 t80 -125.09 128.55 48.63 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 125.123 1.369 . . . . 0.0 110.883 -168.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 2.4 p -151.87 178.1 9.75 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.453 1.501 . . . . 0.0 109.232 171.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -131.81 158.24 41.8 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 120.795 -1.19 . . . . 0.0 110.905 174.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.68 -159.8 17.56 Favored Glycine 0 CA--C 1.528 0.905 0 C-N-CA 126.19 1.852 . . . . 0.0 108.898 -170.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.4 t -132.46 143.09 40.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 CA-C-N 118.648 1.224 . . . . 0.0 110.193 -174.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 57.4 t -66.3 128.78 29.92 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 172.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -132.57 13.42 4.49 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.499 1.12 . . . . 0.0 111.489 171.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -177.07 173.2 46.1 Favored Glycine 0 C--N 1.338 0.686 0 CA-C-N 119.012 0.824 . . . . 0.0 112.487 173.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 9.2 m80 -136.35 154.33 50.87 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 125.902 1.681 . . . . 0.0 109.954 -177.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 49.2 ttt180 . . . . . 0 C--O 1.232 0.143 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 171.956 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 48.8 tp . . . . . 0 N--CA 1.448 -0.548 0 N-CA-C 108.453 -0.944 . . . . 0.0 108.453 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -121.3 156.25 32.94 Favored 'General case' 0 CA--C 1.513 -0.467 0 C-N-CA 124.63 1.172 . . . . 0.0 109.332 -175.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -137.34 132.21 33.27 Favored 'General case' 0 N--CA 1.442 -0.833 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 -175.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 46.8 t -83.89 104.1 13.7 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 102.209 -3.256 . . . . 0.0 102.209 168.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 28.2 mm -85.29 122.44 38.29 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 N-CA-C 105.352 -2.092 . . . . 0.0 105.352 171.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -83.19 120.44 25.8 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 102.579 -3.119 . . . . 0.0 102.579 168.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 22.7 ttpp -141.89 135.13 29.18 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 105.106 -2.183 . . . . 0.0 105.106 -173.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 55.72 27.62 10.97 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.527 0.731 . . . . 0.0 111.351 -176.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 81.05 14.52 79.14 Favored Glycine 0 CA--C 1.53 1.005 0 CA-C-O 118.943 -0.92 . . . . 0.0 113.355 175.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -142.56 154.59 44.59 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 118.661 1.23 . . . . 0.0 110.695 -179.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 88.4 mtm-85 -80.89 138.23 36.16 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.136 0.975 . . . . 0.0 109.37 -175.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -144.48 127.96 16.97 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 107.026 -1.472 . . . . 0.0 107.026 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 92.2 m95 -81.06 126.95 32.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 118.518 0.599 . . . . 0.0 110.338 177.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -128.7 166.67 18.5 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 107.122 -1.436 . . . . 0.0 107.122 169.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 55.8 pttt -115.98 166.39 12.04 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.79 1.236 . . . . 0.0 110.075 -176.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -48.31 -52.03 23.34 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 117.423 -1.275 . . . . 0.0 114.249 -169.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -69.79 -19.47 63.5 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 121.503 1.956 . . . . 0.0 113.394 179.338 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -87.26 -4.92 59.1 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 125.085 1.354 . . . . 0.0 111.167 172.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 91.2 t -119.63 90.63 1.62 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.643 0 N-CA-C 105.667 -1.975 . . . . 0.0 105.667 177.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 11.8 pt -108.21 174.78 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 -175.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 4.4 mt -122.03 134.69 54.79 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 106.826 -1.546 . . . . 0.0 106.826 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1589 ' ' SER . . . . . 0.409 ' HA ' ' CG ' ' A' 1500 ' ' TYR . 12.6 p -63.6 167.33 5.81 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 106.3 -1.741 . . . . 0.0 106.3 168.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.1 pp -57.87 -37.59 74.2 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 121.11 -0.994 . . . . 0.0 111.826 173.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -72.28 -42.0 66.05 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 121.283 -0.885 . . . . 0.0 108.741 -174.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -67.09 -49.95 63.28 Favored 'General case' 0 C--O 1.227 -0.123 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 179.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -63.24 -29.89 75.85 Favored Glycine 0 C--N 1.338 0.677 0 CA-C-O 118.737 -1.035 . . . . 0.0 111.552 -176.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -53.68 -38.79 64.54 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 119.327 1.563 . . . . 0.0 112.512 174.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -61.25 -17.37 53.04 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 118.64 0.655 . . . . 0.0 112.546 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -115.11 -15.96 11.65 Favored 'General case' 0 C--N 1.342 0.244 0 C-N-CA 124.556 1.142 . . . . 0.0 110.919 176.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 8.4 tmm_? -62.25 -38.48 89.42 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 120.4 1.455 . . . . 0.0 110.082 179.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -59.06 -22.03 60.09 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.788 0.835 . . . . 0.0 112.989 179.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -113.97 -44.01 3.2 Favored 'General case' 0 C--N 1.346 0.427 0 CA-C-N 119.162 0.892 . . . . 0.0 111.668 -176.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 8.9 m-30 -94.28 -16.14 23.85 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.07 0.948 . . . . 0.0 111.969 -170.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -42.2 129.42 4.6 Favored Glycine 0 CA--C 1.53 0.973 0 C-N-CA 126.406 1.955 . . . . 0.0 111.907 170.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.234 0.254 0 CA-C-N 118.185 0.992 . . . . 0.0 109.238 174.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 88.1 m-85 . . . . . 0 N--CA 1.467 0.38 0 N-CA-C 114.342 1.238 . . . . 0.0 114.342 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 6.4 t -58.67 115.12 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 C-N-CA 125.673 1.589 . . . . 0.0 108.662 -173.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 114.12 -22.81 13.5 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 125.145 1.355 . . . . 0.0 112.388 179.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 8.9 mp -75.2 138.76 42.18 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 118.955 1.378 . . . . 0.0 111.105 -173.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 54.3 mtp180 -78.23 128.26 33.47 Favored 'General case' 0 C--O 1.23 0.056 0 N-CA-C 105.523 -2.028 . . . . 0.0 105.523 168.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 19.0 m -145.81 -172.18 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 C-N-CA 125.751 1.62 . . . . 0.0 107.838 -175.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 5.1 t -122.73 147.63 26.85 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.114 0 N-CA-C 105.689 -1.967 . . . . 0.0 105.689 169.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -145.22 152.03 39.34 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 124.362 1.065 . . . . 0.0 108.318 -169.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 82.1 tttt -82.59 134.56 35.18 Favored 'General case' 0 CA--C 1.507 -0.674 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 178.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 27.8 t-105 . . . . . 0 N--CA 1.44 -0.974 0 N-CA-C 105.12 -2.178 . . . . 0.0 105.12 169.061 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 4.5 m-30 . . . . . 0 N--CA 1.471 0.587 0 CA-C-O 120.84 0.352 . . . . 0.0 111.887 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 2.2 m-30 -110.93 112.99 25.21 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 -169.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -108.59 151.8 25.63 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 125.698 1.599 . . . . 0.0 108.65 -172.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 3.9 m -74.07 150.42 40.6 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 123.077 0.551 . . . . 0.0 110.299 178.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -173.58 -175.22 41.14 Favored Glycine 0 C--N 1.332 0.344 0 O-C-N 121.551 -0.718 . . . . 0.0 111.94 -175.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -128.35 129.53 46.39 Favored 'General case' 0 CA--C 1.516 -0.351 0 C-N-CA 125.98 1.712 . . . . 0.0 106.817 -173.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 16.6 mt -72.47 130.87 35.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 106.905 -1.517 . . . . 0.0 106.905 179.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 65.6 p -105.81 -36.83 6.9 Favored 'General case' 0 CA--C 1.519 -0.24 0 C-N-CA 123.109 0.563 . . . . 0.0 110.513 -171.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.81 142.21 3.59 Favored 'General case' 0 C--N 1.344 0.343 0 C-N-CA 123.934 0.894 . . . . 0.0 111.21 177.202 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 7.4 t0 -69.49 102.92 1.91 Allowed 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 125.143 1.377 . . . . 0.0 107.748 168.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.5 t -64.9 -50.23 76.08 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 -175.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 146.66 165.41 11.61 Favored Glycine 0 C--N 1.337 0.612 0 N-CA-C 109.763 -1.335 . . . . 0.0 109.763 177.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 59.71 4.74 0.59 Allowed 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 115.262 1.579 . . . . 0.0 115.262 178.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 107.93 -7.27 35.59 Favored Glycine 0 CA--C 1.525 0.7 0 C-N-CA 124.749 1.166 . . . . 0.0 111.075 -173.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -74.61 138.03 42.7 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 120.462 2.131 . . . . 0.0 108.159 169.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -127.26 136.96 52.72 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 104.902 -2.258 . . . . 0.0 104.902 169.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -83.81 137.72 33.58 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 176.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.0 mm? -124.63 119.13 28.13 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 125.1 1.36 . . . . 0.0 108.144 -169.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 32.8 tp -83.75 94.31 8.13 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 103.929 -2.619 . . . . 0.0 103.929 169.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -55.85 148.47 16.82 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 172.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -65.6 -14.49 61.26 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.2 0.6 . . . . 0.0 112.351 -169.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 18.5 p-10 -90.34 0.78 57.1 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.686 1.594 . . . . 0.0 113.495 174.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 110.06 -6.0 30.63 Favored Glycine 0 CA--C 1.532 1.139 0 C-N-CA 124.926 1.25 . . . . 0.0 114.755 168.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -79.47 154.58 28.79 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 118.226 1.013 . . . . 0.0 109.415 -175.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -139.35 118.07 12.32 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 -175.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 10.7 m -145.93 158.14 43.87 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.819 1.248 . . . . 0.0 107.896 -178.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -80.75 143.0 33.25 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 171.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 88.9 t -141.88 139.65 30.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 N-CA-C 107.0 -1.482 . . . . 0.0 107.0 177.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.0 mt -77.68 150.82 34.47 Favored 'General case' 0 C--O 1.22 -0.491 0 O-C-N 121.819 -0.551 . . . . 0.0 111.022 179.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -54.89 -35.06 57.99 Favored Glycine 0 CA--C 1.523 0.589 0 C-N-CA 124.744 1.164 . . . . 0.0 112.743 -178.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.81 -33.14 64.16 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 117.711 0.756 . . . . 0.0 110.415 176.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -100.49 23.15 10.68 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 125.93 1.692 . . . . 0.0 111.992 -170.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -131.22 136.82 56.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 N-CA-C 106.652 -1.61 . . . . 0.0 106.652 179.33 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 62.5 mt -118.36 113.71 21.82 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 127.592 2.357 . . . . 0.0 104.813 -174.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.36 -2.4 16.68 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 116.535 2.05 . . . . 0.0 116.535 -169.126 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 23.5 p -130.45 57.54 1.71 Allowed 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 104.076 -2.565 . . . . 0.0 104.076 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1536 ' ' ASP . . . . . 0.409 ' CG ' HH21 ' A' 1583 ' ' ARG . 6.2 p-10 -98.63 19.23 0.04 OUTLIER Pre-proline 0 CA--C 1.543 0.709 0 N-CA-C 120.858 3.651 . . . . 0.0 120.858 -168.061 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -57.63 113.13 1.37 Allowed 'Trans proline' 0 CA--C 1.541 0.844 0 CA-C-N 125.005 2.823 . . . . 0.0 105.492 168.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 15.8 mm -60.94 124.32 79.33 Favored Pre-proline 0 CA--C 1.537 0.467 0 CA-C-O 118.376 -0.821 . . . . 0.0 109.559 -167.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -62.07 141.23 88.05 Favored 'Trans proline' 0 N--CA 1.451 -1.009 0 C-N-CA 121.724 1.616 . . . . 0.0 110.056 174.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 4.1 mp -56.7 144.26 33.18 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 169.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 21.3 t70 82.24 -7.74 1.31 Allowed 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 127.442 2.297 . . . . 0.0 113.512 -176.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 18.3 m -68.77 136.47 52.84 Favored 'General case' 0 C--O 1.239 0.513 0 O-C-N 120.972 -1.08 . . . . 0.0 108.497 170.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -79.27 137.07 37.23 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 171.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 1.8 m -145.56 160.27 12.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 124.359 1.063 . . . . 0.0 109.172 -176.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 35.2 m -89.73 139.26 30.74 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 105.617 -1.994 . . . . 0.0 105.617 169.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -113.36 144.97 41.86 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 125.187 1.395 . . . . 0.0 107.782 176.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -139.06 114.09 9.41 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 123.897 0.879 . . . . 0.0 109.775 -169.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 18.9 m -62.14 150.17 39.37 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 105.768 -1.938 . . . . 0.0 105.768 167.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -61.82 -17.6 56.89 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 115.137 1.532 . . . . 0.0 115.137 -168.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 20.2 t0 -86.04 -62.51 1.5 Allowed 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 119.552 1.069 . . . . 0.0 111.157 178.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -167.83 -13.48 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 173.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -59.3 122.67 14.47 Favored 'General case' 0 C--N 1.341 0.229 0 CA-C-N 119.953 1.252 . . . . 0.0 110.108 -170.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -115.94 133.0 56.48 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 125.412 1.485 . . . . 0.0 110.57 -168.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 1.1 p -152.36 178.14 9.84 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.669 1.588 . . . . 0.0 108.876 173.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -136.17 158.93 43.24 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 119.967 1.258 . . . . 0.0 111.31 174.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -171.48 -160.69 20.62 Favored Glycine 0 CA--C 1.528 0.849 0 N-CA-C 108.776 -1.73 . . . . 0.0 108.776 -172.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.8 t -131.32 143.54 40.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-N 118.279 1.04 . . . . 0.0 109.024 -174.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 80.3 t -66.49 125.14 23.14 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 173.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 86.4 mttt -134.27 22.45 3.76 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 118.999 0.818 . . . . 0.0 112.039 171.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -179.44 171.36 43.14 Favored Glycine 0 C--N 1.34 0.805 0 O-C-N 121.322 -0.861 . . . . 0.0 111.528 169.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 8.3 m80 -137.17 154.72 50.16 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.793 1.637 . . . . 0.0 110.555 -177.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 47.8 ttt180 . . . . . 0 N--CA 1.461 0.094 0 C-N-CA 125.198 1.399 . . . . 0.0 107.264 170.908 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 55.8 tp . . . . . 0 N--CA 1.446 -0.665 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -124.33 155.02 39.45 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 125.141 1.376 . . . . 0.0 108.966 -172.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -137.45 131.92 32.62 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 106.85 -1.537 . . . . 0.0 106.85 -174.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.9 t -85.96 98.82 11.03 Favored 'General case' 0 CA--C 1.514 -0.432 0 N-CA-C 102.773 -3.047 . . . . 0.0 102.773 169.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 31.2 mm -80.09 125.8 39.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 105.255 -2.128 . . . . 0.0 105.255 173.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -82.87 115.92 21.96 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 102.552 -3.129 . . . . 0.0 102.552 168.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 19.7 ttpt -141.37 135.83 30.85 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 104.668 -2.345 . . . . 0.0 104.668 -170.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 54.69 25.94 7.0 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 122.96 0.504 . . . . 0.0 111.705 -172.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 78.56 15.19 81.22 Favored Glycine 0 CA--C 1.53 1.016 0 CA-C-O 118.834 -0.981 . . . . 0.0 113.53 177.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -142.62 156.01 45.02 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 118.742 1.271 . . . . 0.0 110.509 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 69.6 mtp180 -79.1 135.57 36.89 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 124.023 0.929 . . . . 0.0 109.393 -174.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -142.49 129.6 20.86 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 106.384 -1.71 . . . . 0.0 106.384 -179.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 90.6 m95 -80.99 126.4 31.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 118.551 0.614 . . . . 0.0 109.88 178.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -128.89 161.8 29.01 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 106.792 -1.558 . . . . 0.0 106.792 169.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -107.69 165.87 11.11 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.658 1.183 . . . . 0.0 110.113 -175.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1583 ' ' ARG . . . . . 0.409 HH21 ' CG ' ' A' 1536 ' ' ASP . 76.1 ttt180 -51.37 -44.2 62.04 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 120.152 1.342 . . . . 0.0 113.296 -175.33 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -68.63 -26.62 65.43 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 121.209 1.822 . . . . 0.0 112.471 177.667 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -87.56 -3.83 58.98 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.767 1.227 . . . . 0.0 111.346 179.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 88.2 t -118.36 93.01 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 N-CA-C 105.11 -2.182 . . . . 0.0 105.11 -179.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 7.8 pt -108.73 167.7 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 N-CA-C 107.343 -1.354 . . . . 0.0 107.343 -174.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 5.6 mt -113.35 124.72 53.12 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 -176.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.62 144.3 56.36 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 105.418 -2.068 . . . . 0.0 105.418 168.511 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.3 pp -52.59 -36.78 56.79 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 -168.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -65.42 -37.75 87.88 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -177.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -79.37 -43.3 23.74 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 -177.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -55.09 -33.73 57.79 Favored Glycine 0 CA--C 1.526 0.754 0 C-N-CA 123.377 0.513 . . . . 0.0 111.979 174.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -62.88 -44.3 96.47 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 118.339 1.069 . . . . 0.0 111.432 176.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 40.7 mtt180 -61.63 -16.67 50.5 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 112.557 0.576 . . . . 0.0 112.557 176.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.9 mp -95.83 -30.16 13.83 Favored 'General case' 0 C--N 1.342 0.279 0 C-N-CA 123.5 0.72 . . . . 0.0 110.588 171.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 68.0 ttp85 -56.63 -38.51 72.2 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.148 1.379 . . . . 0.0 111.785 -176.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -58.0 -22.62 50.43 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 118.545 -0.741 . . . . 0.0 112.962 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -115.28 -45.58 2.93 Favored 'General case' 0 C--N 1.348 0.521 0 CA-C-N 119.611 1.096 . . . . 0.0 112.382 178.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 8.0 m-30 -92.13 -8.04 46.82 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 123.977 0.911 . . . . 0.0 112.625 -169.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -56.8 131.92 51.9 Favored Glycine 0 CA--C 1.525 0.682 0 C-N-CA 125.335 1.445 . . . . 0.0 110.875 179.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.235 0.29 0 CA-C-N 118.55 1.175 . . . . 0.0 109.037 174.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 89.5 m-85 . . . . . 0 N--CA 1.469 0.486 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 3.1 t -64.69 125.45 21.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -170.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 101.59 -23.76 33.91 Favored Glycine 0 CA--C 1.529 0.954 0 C-N-CA 125.499 1.523 . . . . 0.0 113.177 -178.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 49.1 mt -69.73 135.43 49.77 Favored 'General case' 0 C--N 1.342 0.275 0 CA-C-N 119.217 1.509 . . . . 0.0 111.58 -173.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 58.2 mtm180 -77.62 127.16 32.01 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 105.897 -1.89 . . . . 0.0 105.897 168.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 20.3 m -146.86 -174.48 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 C-N-CA 125.506 1.522 . . . . 0.0 107.13 -173.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 1.9 t -120.51 148.07 23.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 106.114 -1.81 . . . . 0.0 106.114 171.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -148.33 150.25 33.27 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 123.892 0.877 . . . . 0.0 109.259 -170.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 78.1 tttt -82.94 132.65 35.14 Favored 'General case' 0 CA--C 1.513 -0.465 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 178.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 23.6 t-105 . . . . . 0 N--CA 1.446 -0.628 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 169.554 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 11.1 m-30 . . . . . 0 C--O 1.234 0.254 0 CA-C-O 121.727 0.775 . . . . 0.0 110.248 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -93.34 107.52 19.33 Favored 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 105.264 -2.125 . . . . 0.0 105.264 -178.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -99.0 152.55 19.69 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.279 1.032 . . . . 0.0 108.274 -176.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 5.2 m -75.14 148.54 39.55 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.432 0.693 . . . . 0.0 110.21 178.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -171.26 179.99 42.73 Favored Glycine 0 CA--C 1.523 0.558 0 O-C-N 121.766 -0.584 . . . . 0.0 111.717 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.54 134.86 54.71 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 106.373 -1.714 . . . . 0.0 106.373 177.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 7.7 mt -70.49 134.25 30.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 171.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 70.0 p -109.12 -35.06 6.41 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 123.087 0.555 . . . . 0.0 110.455 -171.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.63 143.69 3.38 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.314 1.046 . . . . 0.0 111.558 175.54 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 7.2 t0 -69.82 102.9 2.04 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.249 1.42 . . . . 0.0 108.647 169.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.3 t -65.22 -49.97 76.17 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -176.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 145.62 164.8 10.98 Favored Glycine 0 C--N 1.338 0.653 0 N-CA-C 109.911 -1.276 . . . . 0.0 109.911 178.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 60.04 4.93 0.68 Allowed 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 115.151 1.537 . . . . 0.0 115.151 177.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 108.41 -7.8 34.73 Favored Glycine 0 C--N 1.337 0.626 0 C-N-CA 124.903 1.24 . . . . 0.0 110.938 -173.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -75.4 138.03 41.43 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 120.09 1.945 . . . . 0.0 108.506 169.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -128.11 137.4 52.1 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 105.197 -2.149 . . . . 0.0 105.197 169.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 29.7 ttpt -83.84 139.56 32.58 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 177.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 2.8 mm? -124.99 118.31 25.95 Favored 'General case' 0 CA--C 1.51 -0.595 0 C-N-CA 125.104 1.361 . . . . 0.0 108.614 -169.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 40.7 tp -83.39 93.94 7.87 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 104.3 -2.481 . . . . 0.0 104.3 168.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -56.36 146.35 24.39 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 170.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -64.41 -20.86 66.42 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -170.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -81.69 3.46 25.41 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.381 1.472 . . . . 0.0 113.204 174.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 103.88 -4.01 45.59 Favored Glycine 0 CA--C 1.528 0.869 0 C-N-CA 125.243 1.402 . . . . 0.0 114.8 169.189 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -80.91 153.88 27.33 Favored 'General case' 0 C--O 1.231 0.089 0 CA-C-N 118.189 0.994 . . . . 0.0 109.267 -175.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -141.43 117.63 10.69 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 -176.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 85.5 m -144.76 162.72 36.05 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 125.231 1.413 . . . . 0.0 107.936 174.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -75.72 145.32 40.96 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 170.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 93.8 t -140.79 139.81 34.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 106.885 -1.524 . . . . 0.0 106.885 173.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.8 mt -77.38 150.67 35.07 Favored 'General case' 0 CA--C 1.51 -0.571 0 C-N-CA 122.941 0.497 . . . . 0.0 111.227 178.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -53.45 -35.57 51.36 Favored Glycine 0 CA--C 1.523 0.56 0 C-N-CA 124.952 1.263 . . . . 0.0 113.27 -179.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.97 -29.4 63.21 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 117.528 0.664 . . . . 0.0 110.891 177.361 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -106.14 21.83 16.7 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 126.03 1.732 . . . . 0.0 111.845 -170.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -131.63 132.61 62.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 N-CA-C 105.86 -1.904 . . . . 0.0 105.86 178.27 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 9.9 mp -117.82 119.87 36.21 Favored 'General case' 0 CA--C 1.516 -0.332 0 N-CA-C 104.521 -2.4 . . . . 0.0 104.521 -174.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.3 -2.81 13.93 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 116.971 2.211 . . . . 0.0 116.971 -168.155 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 24.3 p -132.01 50.39 2.24 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 106.163 -1.792 . . . . 0.0 106.163 -177.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 54.5 t0 -116.87 60.49 2.36 Favored Pre-proline 0 CA--C 1.539 0.554 0 N-CA-C 116.28 1.956 . . . . 0.0 116.28 -168.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -71.73 122.4 8.5 Favored 'Trans proline' 0 CA--C 1.544 1.013 1 N-CA-C 100.743 -4.368 . . . . 0.0 100.743 165.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 7.0 mm -59.9 124.05 74.89 Favored Pre-proline 0 CA--C 1.542 0.643 0 CA-C-N 119.13 0.877 . . . . 0.0 108.974 -168.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -62.92 142.71 89.36 Favored 'Trans proline' 0 N--CA 1.453 -0.909 0 C-N-CA 121.992 1.794 . . . . 0.0 110.265 176.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 3.9 mp -57.47 147.46 26.45 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 169.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 21.2 t70 75.86 -5.78 2.11 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 127.169 2.188 . . . . 0.0 113.681 -176.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 24.0 m -70.11 134.06 47.79 Favored 'General case' 0 C--O 1.239 0.524 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 170.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -76.73 137.67 39.48 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 170.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 2.6 m -146.54 162.56 9.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 124.699 1.2 . . . . 0.0 109.297 -176.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 7.7 m -89.07 143.04 27.13 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 105.725 -1.954 . . . . 0.0 105.725 169.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -120.03 136.72 54.46 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 125.661 1.585 . . . . 0.0 107.254 177.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.69 113.69 9.3 Favored 'General case' 0 CA--C 1.515 -0.4 0 C-N-CA 123.646 0.779 . . . . 0.0 110.354 -170.042 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 11.8 m -64.13 138.33 58.4 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 105.226 -2.139 . . . . 0.0 105.226 168.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -62.15 13.62 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 117.468 2.396 . . . . 0.0 117.468 -169.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 32.9 t70 -109.22 -57.28 2.18 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 119.426 1.012 . . . . 0.0 110.527 171.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -170.1 -19.1 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 174.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -58.77 121.41 11.01 Favored 'General case' 0 C--N 1.344 0.351 0 CA-C-N 119.147 0.885 . . . . 0.0 109.317 -171.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 1.7 t80 -121.46 133.81 55.06 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 125.08 1.352 . . . . 0.0 110.389 -168.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 2.5 p -152.25 178.44 9.5 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.73 1.612 . . . . 0.0 109.37 171.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -135.05 157.35 47.15 Favored 'General case' 0 CA--C 1.534 0.335 0 O-C-N 120.798 -1.189 . . . . 0.0 111.051 172.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.29 -161.57 21.07 Favored Glycine 0 CA--C 1.527 0.825 0 C-N-CA 126.334 1.921 . . . . 0.0 109.194 -171.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.5 t -130.33 143.72 40.13 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-N 118.824 1.312 . . . . 0.0 109.539 -173.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 85.0 t -66.89 128.69 30.52 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 173.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -133.36 14.67 4.14 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.59 1.156 . . . . 0.0 111.764 171.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -176.67 173.61 46.41 Favored Glycine 0 C--N 1.339 0.719 0 CA-C-N 119.242 0.928 . . . . 0.0 111.921 171.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 8.4 m80 -138.04 153.45 49.36 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 126.304 1.842 . . . . 0.0 110.3 -175.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 29.7 ttt85 . . . . . 0 CA--C 1.531 0.213 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 170.031 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 32.1 tp . . . . . 0 N--CA 1.449 -0.518 0 CA-C-O 120.966 0.412 . . . . 0.0 110.102 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -133.44 158.16 43.78 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 126.007 1.723 . . . . 0.0 108.58 -174.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -140.91 135.15 30.99 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 -174.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 48.5 t -86.61 103.65 15.3 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 102.342 -3.207 . . . . 0.0 102.342 168.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 29.3 mm -83.86 123.47 38.89 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.564 0 N-CA-C 105.5 -2.037 . . . . 0.0 105.5 172.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -83.0 121.67 27.3 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 103.112 -2.922 . . . . 0.0 103.112 168.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -143.14 135.07 26.86 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 104.956 -2.238 . . . . 0.0 104.956 -171.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 54.49 26.41 7.15 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.326 0.65 . . . . 0.0 111.965 -173.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 77.43 17.54 79.08 Favored Glycine 0 CA--C 1.53 0.977 0 CA-C-O 118.795 -1.003 . . . . 0.0 113.268 177.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -141.45 155.43 45.86 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 118.615 1.208 . . . . 0.0 110.414 178.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -80.47 139.35 36.46 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.898 0.879 . . . . 0.0 109.642 -174.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -144.75 127.07 15.81 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 106.45 -1.685 . . . . 0.0 106.45 178.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 93.0 m95 -80.87 131.48 35.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 118.848 0.749 . . . . 0.0 110.181 177.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -132.48 162.65 30.66 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.076 1.35 . . . . 0.0 108.305 169.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -102.74 164.66 11.5 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.349 1.46 . . . . 0.0 110.101 -175.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 21.9 ttp180 -51.71 -43.26 62.74 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 120.297 1.408 . . . . 0.0 114.179 -177.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.03 -21.28 62.29 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 121.463 1.938 . . . . 0.0 112.884 177.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -86.95 -8.31 57.34 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 124.566 1.147 . . . . 0.0 111.197 178.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 71.8 t -118.93 92.21 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 N-CA-C 105.297 -2.112 . . . . 0.0 105.297 -176.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 14.7 pt -110.81 160.03 10.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 -172.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 6.1 mt -103.63 118.23 36.23 Favored 'General case' 0 CA--C 1.511 -0.54 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 -176.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.06 137.44 51.19 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 105.513 -2.032 . . . . 0.0 105.513 169.336 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.6 pp -50.47 -38.55 44.43 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -168.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -69.94 -35.39 74.47 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.125 0.875 . . . . 0.0 110.033 -177.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -69.69 -47.42 63.26 Favored 'General case' 0 C--O 1.227 -0.08 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 176.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -62.31 -31.56 79.68 Favored Glycine 0 C--N 1.338 0.679 0 CA-C-O 119.647 -0.53 . . . . 0.0 112.104 -179.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -58.62 -41.61 86.31 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 118.976 1.388 . . . . 0.0 111.704 177.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 29.3 mtp85 -61.36 -16.23 44.13 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.032 0.533 . . . . 0.0 112.337 178.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 7.4 mp -103.75 -26.74 12.62 Favored 'General case' 0 C--N 1.341 0.221 0 C-N-CA 124.82 1.248 . . . . 0.0 110.241 175.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 9.0 tmm_? -59.51 -37.9 79.51 Favored 'General case' 0 C--O 1.224 -0.264 0 C-N-CA 124.356 1.062 . . . . 0.0 110.395 -176.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -57.59 -20.63 33.81 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.843 0.857 . . . . 0.0 113.233 178.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -114.18 -47.25 2.95 Favored 'General case' 0 C--N 1.345 0.39 0 CA-C-N 119.658 1.117 . . . . 0.0 111.61 179.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 11.7 m-30 -90.08 -17.67 27.31 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 124.183 0.993 . . . . 0.0 112.467 -169.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -43.9 130.5 6.62 Favored Glycine 0 CA--C 1.529 0.916 0 C-N-CA 126.224 1.868 . . . . 0.0 111.784 170.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.342 0.248 0 CA-C-N 118.126 0.963 . . . . 0.0 109.252 174.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.672 0 N-CA-C 112.239 -0.344 . . . . 0.0 112.239 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -151.64 -47.0 0.11 Allowed 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.838 -0.801 . . . . 0.0 110.855 178.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 14.7 tpt -149.87 152.83 35.72 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.099 1.359 . . . . 0.0 108.035 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 55.4 t30 -149.92 156.99 42.71 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 124.469 1.107 . . . . 0.0 108.445 174.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 16.7 m -66.2 92.35 0.18 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.288 1.035 . . . . 0.0 110.061 175.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 89.1 m-85 69.37 -64.71 0.33 Allowed 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 127.533 2.333 . . . . 0.0 114.028 169.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 6.0 t -57.65 115.49 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 C-N-CA 125.689 1.596 . . . . 0.0 108.509 -174.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 113.59 -22.21 15.4 Favored Glycine 0 CA--C 1.532 1.121 0 C-N-CA 125.431 1.491 . . . . 0.0 112.475 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 9.8 mp -74.07 139.33 44.58 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.897 1.349 . . . . 0.0 110.91 -173.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -78.81 126.79 31.18 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 105.865 -1.902 . . . . 0.0 105.865 168.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 16.1 m -146.1 -175.62 0.53 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 C-N-CA 125.271 1.429 . . . . 0.0 107.944 -173.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 9.6 t -120.08 147.72 23.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 105.218 -2.142 . . . . 0.0 105.218 169.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -148.18 152.06 36.6 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.363 1.065 . . . . 0.0 108.786 -169.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 76.5 tttt -83.38 131.1 35.07 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 14.0 t-105 -84.02 146.63 27.86 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 107.429 -1.323 . . . . 0.0 107.429 169.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 1.5 m -65.31 -175.02 0.2 Allowed 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.851 1.66 . . . . 0.0 113.35 -172.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 14.5 m 55.56 42.18 29.92 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.078 -1.014 . . . . 0.0 111.127 -175.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 66.5 t30 48.4 50.57 16.5 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.798 2.039 . . . . 0.0 113.235 -175.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -86.48 178.22 48.89 Favored Glycine 0 CA--C 1.527 0.793 0 CA-C-O 122.443 1.024 . . . . 0.0 113.568 -178.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1500 ' ' TYR . . . . . 0.401 ' CG ' ' HA ' ' A' 1589 ' ' SER . 11.7 m-30 -74.14 169.31 17.82 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 126.623 1.969 . . . . 0.0 110.705 174.032 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -94.63 110.05 21.91 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 106.149 -1.797 . . . . 0.0 106.149 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -103.83 153.39 20.8 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 124.7 1.2 . . . . 0.0 108.544 -176.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 2.6 m -70.34 147.12 49.97 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 123.79 0.836 . . . . 0.0 110.788 177.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -170.38 -175.97 39.54 Favored Glycine 0 C--O 1.225 -0.419 0 O-C-N 121.608 -0.683 . . . . 0.0 112.313 -178.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 34.1 mtmt -132.8 128.79 37.52 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 -173.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 22.3 mt -72.69 130.99 35.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 106.86 -1.533 . . . . 0.0 106.86 -178.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 71.6 p -106.59 -36.98 6.59 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 123.158 0.583 . . . . 0.0 110.483 -170.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.48 143.41 4.11 Favored 'General case' 0 C--N 1.344 0.345 0 C-N-CA 124.026 0.931 . . . . 0.0 110.93 176.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 7.4 t70 -71.0 103.03 2.56 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 168.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.5 t -64.3 -49.53 80.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 -176.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 148.65 166.2 12.76 Favored Glycine 0 C--N 1.34 0.756 0 N-CA-C 109.582 -1.407 . . . . 0.0 109.582 172.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.88 9.29 0.59 Allowed 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 177.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 107.97 -7.66 35.76 Favored Glycine 0 C--N 1.339 0.729 0 C-N-CA 125.133 1.349 . . . . 0.0 111.225 -177.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 12.1 mtpp -74.95 134.37 41.54 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-N 119.818 1.809 . . . . 0.0 106.863 170.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -125.64 138.07 53.9 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 105.508 -2.034 . . . . 0.0 105.508 169.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 29.2 ttpt -84.9 139.16 32.06 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 176.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.2 mm? -125.96 119.21 27.12 Favored 'General case' 0 CA--C 1.513 -0.473 0 C-N-CA 124.744 1.218 . . . . 0.0 108.6 -169.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 40.1 tp -83.88 94.74 8.29 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 104.341 -2.466 . . . . 0.0 104.341 169.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -57.08 150.12 17.87 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 173.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -61.98 -25.43 67.62 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 121.914 -0.491 . . . . 0.0 111.781 -172.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 30.0 p-10 -78.51 0.34 26.46 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.735 1.214 . . . . 0.0 113.244 175.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 103.12 -4.09 48.47 Favored Glycine 0 CA--C 1.532 1.13 0 C-N-CA 125.331 1.443 . . . . 0.0 113.321 169.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -79.23 156.17 28.25 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.181 0.991 . . . . 0.0 109.878 -176.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -141.49 117.37 10.48 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 123.757 0.823 . . . . 0.0 108.916 -175.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 87.5 m -144.71 168.35 20.4 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.898 1.679 . . . . 0.0 107.752 174.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -98.19 145.59 26.46 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 123.795 0.838 . . . . 0.0 110.142 178.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 96.1 t -144.04 138.82 24.76 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.442 0 N-CA-C 107.805 -1.184 . . . . 0.0 107.805 -172.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 7.3 mt -76.66 150.57 36.36 Favored 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 122.526 0.331 . . . . 0.0 110.603 178.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -53.78 -34.75 51.38 Favored Glycine 0 CA--C 1.523 0.54 0 C-N-CA 124.407 1.003 . . . . 0.0 113.268 -179.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.53 -32.69 63.14 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 122.104 -0.645 . . . . 0.0 110.673 177.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -101.74 22.88 12.14 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 126.27 1.828 . . . . 0.0 112.226 -170.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -130.23 135.88 59.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 179.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 42.0 mt -115.84 110.99 19.81 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 104.883 -2.266 . . . . 0.0 104.883 -175.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.69 -2.9 22.77 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 116.761 2.134 . . . . 0.0 116.761 -169.275 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 21.8 p -134.27 49.43 2.25 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 107.006 -1.479 . . . . 0.0 107.006 -176.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 50.0 t0 -115.48 55.47 1.04 Allowed Pre-proline 0 CA--C 1.541 0.611 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 -168.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -67.21 122.75 10.07 Favored 'Trans proline' 0 CA--C 1.542 0.906 1 N-CA-C 101.158 -4.208 . . . . 0.0 101.158 166.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 9.5 mm -58.61 117.49 21.05 Favored Pre-proline 0 CA--C 1.538 0.499 0 CA-C-N 119.052 0.842 . . . . 0.0 108.885 -168.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -63.02 143.21 90.41 Favored 'Trans proline' 0 N--CA 1.451 -1.023 0 C-N-CA 121.804 1.669 . . . . 0.0 110.049 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 3.7 mp -58.41 147.64 30.7 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 169.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 20.3 t70 74.64 -3.6 2.54 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 127.306 2.242 . . . . 0.0 113.707 -175.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 30.1 m -70.91 134.65 47.43 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 170.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -77.14 137.1 38.69 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 170.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -147.53 161.2 7.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 C-N-CA 124.543 1.137 . . . . 0.0 109.667 -174.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 2.2 m -89.44 130.23 35.82 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 106.166 -1.791 . . . . 0.0 106.166 169.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -93.41 137.75 32.4 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 170.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.25 99.1 3.77 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.482 0.713 . . . . 0.0 110.323 -171.146 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 4.7 m -62.34 123.39 18.1 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 104.363 -2.458 . . . . 0.0 104.363 168.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -54.21 -21.52 9.16 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 115.727 1.751 . . . . 0.0 115.727 -168.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 37.7 t70 -67.62 -32.23 72.8 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 118.342 -0.837 . . . . 0.0 112.125 175.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 155.55 -20.03 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 129.003 2.921 . . . . 0.0 114.804 169.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -53.89 124.86 16.61 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 119.511 1.05 . . . . 0.0 110.399 -169.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 8.7 t80 -117.25 127.0 53.65 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 124.371 1.069 . . . . 0.0 111.015 -169.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 5.1 p -151.65 177.37 10.43 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.684 1.193 . . . . 0.0 109.634 170.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -134.69 159.09 42.37 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 119.773 1.17 . . . . 0.0 111.239 174.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -171.76 -160.01 19.32 Favored Glycine 0 CA--C 1.528 0.851 0 C-N-CA 126.267 1.889 . . . . 0.0 109.106 -171.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.7 t -133.0 142.35 42.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 CA-C-N 118.562 1.181 . . . . 0.0 109.49 -174.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 63.1 t -65.86 126.37 24.95 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 171.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 85.4 mttt -132.74 18.88 4.22 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.865 0.866 . . . . 0.0 111.453 170.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -176.97 173.38 46.26 Favored Glycine 0 C--N 1.34 0.754 0 O-C-N 121.338 -0.851 . . . . 0.0 111.953 170.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 8.9 m80 -137.11 154.15 50.35 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 126.524 1.93 . . . . 0.0 110.14 -178.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 -150.38 158.72 44.46 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 172.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.8 mmtp -126.31 125.71 42.74 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 105.742 -1.948 . . . . 0.0 105.742 170.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -150.01 140.68 22.61 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 -174.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 19.4 m 51.21 29.3 4.76 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.957 0.903 . . . . 0.0 112.728 -174.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 64.78 33.19 86.58 Favored Glycine 0 CA--C 1.53 0.982 0 CA-C-O 119.366 -0.686 . . . . 0.0 112.183 -176.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -140.16 155.92 46.75 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 124.718 1.207 . . . . 0.0 108.098 -176.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 24.8 tp -95.71 135.6 37.2 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 123.804 0.842 . . . . 0.0 112.577 -169.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -131.96 159.12 39.63 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 126.019 1.728 . . . . 0.0 110.286 -174.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -141.32 132.58 26.53 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 -173.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 39.1 t -83.46 107.07 15.71 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 102.412 -3.181 . . . . 0.0 102.412 169.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 27.9 mm -88.88 126.03 41.96 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 N-CA-C 105.215 -2.143 . . . . 0.0 105.215 171.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -83.36 113.53 20.79 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 102.472 -3.158 . . . . 0.0 102.472 168.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -140.1 127.9 21.9 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 -168.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 48.68 39.95 14.72 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.413 1.085 . . . . 0.0 111.633 -172.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 67.3 28.91 73.77 Favored Glycine 0 CA--C 1.53 1.008 0 CA-C-O 119.075 -0.847 . . . . 0.0 112.893 175.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -136.17 149.81 48.78 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 174.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -91.3 117.3 29.53 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 106.851 -1.537 . . . . 0.0 106.851 175.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -129.79 129.8 44.53 Favored 'General case' 0 CA--C 1.522 -0.13 0 N-CA-C 107.326 -1.361 . . . . 0.0 107.326 -169.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 91.3 m95 -80.83 123.83 28.58 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -126.46 157.92 37.41 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 169.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 57.5 pttt -99.59 166.38 11.17 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.81 1.244 . . . . 0.0 110.008 -178.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 20.6 ttp-105 -43.59 -54.79 4.7 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-N 120.243 1.383 . . . . 0.0 112.76 -177.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 1.8 ppp? -72.45 -13.25 61.4 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 -174.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -94.43 -1.81 52.99 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 126.243 1.817 . . . . 0.0 110.465 171.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 57.8 t -120.46 89.97 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.593 0 N-CA-C 105.839 -1.911 . . . . 0.0 105.839 175.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 10.6 pt -111.57 165.55 6.59 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 -171.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 11.3 mt -113.29 114.93 27.38 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 -175.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1589 ' ' SER . . . . . 0.401 ' HA ' ' CG ' ' A' 1500 ' ' TYR . 5.0 m -57.81 146.03 32.96 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 106.273 -1.751 . . . . 0.0 106.273 169.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.8 pp -54.21 -36.78 63.85 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.569 1.077 . . . . 0.0 112.769 -169.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -64.86 -40.27 94.88 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.765 0.826 . . . . 0.0 109.795 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -68.04 -49.64 60.18 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.557 1.143 . . . . 0.0 108.143 176.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -61.29 -30.86 75.16 Favored Glycine 0 C--N 1.337 0.608 0 C-N-CA 124.241 0.924 . . . . 0.0 112.183 -176.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -53.41 -42.58 67.16 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 118.39 1.095 . . . . 0.0 111.721 174.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -61.14 -14.69 26.55 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.632 0.773 . . . . 0.0 112.568 -179.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 2.0 mp -109.53 -23.42 11.5 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 124.106 0.963 . . . . 0.0 110.822 176.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 2.4 ttp85 -59.1 -36.51 75.28 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 119.802 1.183 . . . . 0.0 111.612 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -57.63 -23.21 49.91 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 118.197 -0.906 . . . . 0.0 113.355 177.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -114.67 -46.77 2.93 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-N 119.765 1.166 . . . . 0.0 112.008 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 9.8 m-30 -91.85 -8.51 46.33 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 124.591 1.156 . . . . 0.0 112.72 -169.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -53.23 128.48 38.28 Favored Glycine 0 CA--C 1.527 0.834 0 C-N-CA 125.4 1.476 . . . . 0.0 110.282 175.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.75 -44.62 89.49 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 118.707 1.254 . . . . 0.0 108.957 174.337 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.326 0 N-CA-C 108.677 -1.769 . . . . 0.0 108.677 -176.77 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 363' ' ' ARG . . . . . . . . . . . . . 44.7 ttm180 . . . . . 0 N--CA 1.493 1.684 0 N-CA-C 110.267 -0.272 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -136.4 174.32 10.74 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.444 1.498 . . . . 0.0 108.587 171.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 365' ' ' HIS . . . . . . . . . . . . . 4.8 p-80 -61.42 173.24 0.95 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.619 1.168 . . . . 0.0 111.567 170.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 366' ' ' SER . . . . . . . . . . . . . 5.0 m -60.01 177.3 0.25 Allowed 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 127.802 2.441 . . . . 0.0 114.257 -176.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 4.1 m -60.84 -6.58 1.85 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.432 1.893 . . . . 0.0 115.794 -174.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 368' ' ' HIS . . . . . . . . . . . . . 45.4 t60 49.19 -129.07 2.04 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 -168.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 9.5 tp -121.84 137.57 54.73 Favored 'General case' 0 N--CA 1.44 -0.941 0 N-CA-C 105.71 -1.959 . . . . 0.0 105.71 174.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 370' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.495 0 N-CA-C 105.443 -2.058 . . . . 0.0 105.443 169.823 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 371' ' ' SER . . . . . . . . . . . . . 2.2 p -54.01 -13.1 0.7 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 129.182 2.993 . . . . 0.0 114.943 -171.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 372' ' ' LYS . . . . . . . . . . . . . 65.7 pttt -56.34 -24.99 47.47 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.677 0.791 . . . . 0.0 112.905 175.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 373' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -139.72 160.05 40.77 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 125.396 1.478 . . . . 0.0 107.875 172.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 374' ' ' GLY . . . . . . . . . . . . . . . -72.72 160.03 53.88 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 173.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -132.78 11.0 4.34 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.788 1.235 . . . . 0.0 111.876 -178.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 15.9 m 34.63 69.54 0.15 Allowed 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 127.467 2.307 . . . . 0.0 114.781 169.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 4.5 m . . . . . 0 C--O 1.255 1.35 0 C-N-CA 124.261 1.024 . . . . 0.0 109.839 170.069 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.52 0 N-CA-C 111.507 -0.637 . . . . 0.0 111.507 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 74.8 m80 -70.87 -19.86 62.59 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.865 0.866 . . . . 0.0 112.613 -177.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 8.7 ttt -148.71 168.82 21.88 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.656 1.582 . . . . 0.0 107.994 -178.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 52.2 t30 -137.0 153.36 50.68 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 124.092 0.957 . . . . 0.0 109.89 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 20.0 m -64.35 99.55 0.3 Allowed 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.63 1.172 . . . . 0.0 110.12 176.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 86.6 m-85 66.91 -66.08 0.2 Allowed 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 127.628 2.371 . . . . 0.0 114.361 169.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 4.1 t -57.27 114.73 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 C-N-CA 125.825 1.65 . . . . 0.0 108.772 -175.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 114.55 -22.85 12.75 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 125.376 1.465 . . . . 0.0 112.353 179.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 8.4 mp -74.54 140.64 44.6 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 118.912 1.356 . . . . 0.0 110.994 -173.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 79.2 mtt85 -81.18 127.69 32.94 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 105.639 -1.985 . . . . 0.0 105.639 168.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 17.4 m -145.85 -177.44 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 125.237 1.415 . . . . 0.0 107.72 -173.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 15.7 t -116.72 143.26 27.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 105.197 -2.149 . . . . 0.0 105.197 169.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -145.34 152.78 40.43 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.613 1.165 . . . . 0.0 108.886 -169.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -82.56 129.48 34.94 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 178.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 30.7 t-105 -66.22 125.95 27.18 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 169.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -55.58 -27.82 51.47 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 116.735 2.124 . . . . 0.0 116.735 -168.155 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 75.5 m -80.48 59.98 3.7 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 120.009 1.277 . . . . 0.0 110.571 175.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 67.0 t30 42.4 46.24 3.99 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 127.204 2.201 . . . . 0.0 113.056 -178.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -97.21 -174.28 34.38 Favored Glycine 0 C--N 1.339 0.718 0 CA-C-O 122.401 1.001 . . . . 0.0 113.75 -170.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 11.0 m-30 -72.27 168.94 17.27 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 126.453 1.901 . . . . 0.0 110.221 169.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -96.54 111.12 23.36 Favored 'General case' 0 N--CA 1.446 -0.635 0 N-CA-C 106.275 -1.75 . . . . 0.0 106.275 -176.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -105.55 160.13 15.41 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 125.092 1.357 . . . . 0.0 108.788 -175.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 57.6 m -72.67 145.43 47.23 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 118.717 0.69 . . . . 0.0 110.353 173.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -166.99 179.47 40.71 Favored Glycine 0 C--N 1.333 0.385 0 N-CA-C 111.494 -0.643 . . . . 0.0 111.494 178.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 33.5 mtmt -127.94 128.26 44.77 Favored 'General case' 0 CA--C 1.514 -0.442 0 N-CA-C 106.224 -1.769 . . . . 0.0 106.224 -171.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 23.8 mt -73.59 128.14 35.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 106.849 -1.537 . . . . 0.0 106.849 -177.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 62.7 p -103.74 -37.66 7.38 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 123.231 0.612 . . . . 0.0 110.098 -170.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -166.86 142.41 4.3 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 124.074 0.949 . . . . 0.0 111.551 176.107 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 6.6 t0 -69.01 102.54 1.63 Allowed 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 125.333 1.453 . . . . 0.0 107.792 168.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.5 t -65.05 -50.34 75.07 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 -175.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 145.95 165.81 11.64 Favored Glycine 0 C--N 1.339 0.735 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 57.25 9.3 0.68 Allowed 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 114.904 1.446 . . . . 0.0 114.904 177.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 103.93 -6.45 47.69 Favored Glycine 0 CA--C 1.525 0.696 0 C-N-CA 125.322 1.439 . . . . 0.0 111.163 -176.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 30.5 mtpt -75.09 138.22 41.95 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 119.724 1.762 . . . . 0.0 107.732 171.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -127.52 137.26 52.59 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 105.159 -2.163 . . . . 0.0 105.159 169.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 29.1 ttpt -84.26 138.89 32.7 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 177.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.1 mm? -125.55 118.78 26.49 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 124.758 1.223 . . . . 0.0 108.654 -169.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 43.6 tp -83.73 94.51 8.17 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 105.16 -2.163 . . . . 0.0 105.16 169.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -59.27 151.64 22.73 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 172.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -69.77 -19.21 63.52 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -170.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 44.3 p-10 -76.59 -3.22 36.51 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.821 1.249 . . . . 0.0 112.485 170.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 102.55 -2.53 49.62 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 125.941 1.734 . . . . 0.0 113.088 170.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -77.11 157.6 30.93 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 117.896 0.848 . . . . 0.0 109.622 -177.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -142.14 120.45 12.31 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 -176.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 64.3 m -146.93 168.07 22.38 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 125.325 1.45 . . . . 0.0 107.815 171.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -88.0 142.55 27.7 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 124.148 0.979 . . . . 0.0 109.251 176.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 90.5 t -141.59 137.17 32.09 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.253 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 -177.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.7 mt -75.57 151.14 37.92 Favored 'General case' 0 CA--C 1.513 -0.471 0 C-N-CA 122.945 0.498 . . . . 0.0 112.284 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -55.03 -39.34 68.77 Favored Glycine 0 CA--C 1.521 0.412 0 C-N-CA 124.326 0.965 . . . . 0.0 113.16 -177.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.29 -21.76 64.25 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.387 1.094 . . . . 0.0 112.466 177.32 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -100.64 21.05 14.0 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.744 1.617 . . . . 0.0 111.697 -175.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -132.53 137.02 55.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 -179.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 63.1 mt -117.88 114.36 23.12 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 127.682 2.393 . . . . 0.0 104.946 -176.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -107.43 -2.06 20.88 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 116.637 2.088 . . . . 0.0 116.637 -169.387 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 24.5 p -135.11 54.07 1.95 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 106.488 -1.671 . . . . 0.0 106.488 -177.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 51.4 t0 -118.51 63.09 5.29 Favored Pre-proline 0 CA--C 1.54 0.567 0 N-CA-C 117.192 2.293 . . . . 0.0 117.192 -168.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -72.29 122.7 8.57 Favored 'Trans proline' 0 CA--C 1.546 1.102 1 N-CA-C 100.821 -4.338 . . . . 0.0 100.821 165.694 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 5.4 mm -60.18 122.1 64.17 Favored Pre-proline 0 CA--C 1.539 0.555 0 CA-C-N 119.509 1.049 . . . . 0.0 109.19 -168.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -63.53 143.83 88.72 Favored 'Trans proline' 0 N--CA 1.452 -0.956 0 C-N-CA 121.952 1.768 . . . . 0.0 110.625 178.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 3.4 mp -58.02 149.06 24.21 Favored 'General case' 0 C--O 1.233 0.211 0 O-C-N 121.638 -0.664 . . . . 0.0 109.544 169.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 4.9 t70 72.36 -2.93 2.44 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.944 2.098 . . . . 0.0 113.538 -176.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 25.0 m -69.48 134.93 49.5 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 169.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -75.48 137.31 40.83 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 107.332 -1.359 . . . . 0.0 107.332 170.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -146.14 158.89 11.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 124.475 1.11 . . . . 0.0 109.709 -176.449 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 2.8 m -90.23 131.29 36.13 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 105.559 -2.015 . . . . 0.0 105.559 169.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -97.38 140.16 32.25 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 172.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.21 99.23 3.81 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.315 1.046 . . . . 0.0 109.889 -169.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 5.3 m -64.19 135.41 56.28 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 105.015 -2.217 . . . . 0.0 105.015 168.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -52.62 -36.66 56.9 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.174 0.59 . . . . 0.0 111.557 -169.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 26.6 t0 -79.95 60.75 3.63 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.232 1.413 . . . . 0.0 110.668 174.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 55.15 -14.48 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 120.084 3.365 . . . . 0.0 120.084 172.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -58.52 129.42 41.99 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 122.229 2.286 . . . . 0.0 110.144 -176.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 6.5 t80 -125.63 126.07 44.13 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 124.539 1.136 . . . . 0.0 109.783 -169.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 4.0 p -151.62 176.99 10.8 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.651 1.18 . . . . 0.0 109.22 169.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -133.84 158.16 44.1 Favored 'General case' 0 C--O 1.233 0.213 0 O-C-N 120.75 -1.219 . . . . 0.0 111.017 174.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -171.75 -158.23 15.37 Favored Glycine 0 CA--C 1.523 0.588 0 C-N-CA 125.998 1.761 . . . . 0.0 108.701 -171.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.1 t -133.82 143.8 37.55 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-N 118.562 1.181 . . . . 0.0 109.716 -174.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 64.0 t -65.74 127.78 27.49 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.284 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 171.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -131.76 12.89 4.87 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.083 0.953 . . . . 0.0 111.737 171.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -176.51 173.57 46.38 Favored Glycine 0 C--N 1.341 0.839 0 O-C-N 121.291 -0.88 . . . . 0.0 112.076 173.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 8.6 m80 -136.7 154.69 50.54 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 126.335 1.854 . . . . 0.0 110.26 -177.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 -149.97 159.83 44.08 Favored 'General case' 0 N--CA 1.461 0.086 0 N-CA-C 107.37 -1.344 . . . . 0.0 107.37 171.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -129.39 125.47 36.64 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 106.322 -1.733 . . . . 0.0 106.322 169.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -150.23 140.21 21.96 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 -174.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 30.2 m 50.08 30.12 3.97 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.368 1.067 . . . . 0.0 113.594 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 65.94 33.26 85.11 Favored Glycine 0 CA--C 1.533 1.193 0 CA-C-O 119.345 -0.697 . . . . 0.0 112.399 -177.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -138.72 150.75 46.49 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 106.943 -1.503 . . . . 0.0 106.943 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 38.3 tp -94.54 130.91 40.77 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 124.458 1.103 . . . . 0.0 108.925 -171.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -122.42 156.37 34.17 Favored 'General case' 0 CA--C 1.515 -0.378 0 C-N-CA 125.371 1.468 . . . . 0.0 109.274 -175.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -139.61 131.72 28.03 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 106.857 -1.535 . . . . 0.0 106.857 -174.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 43.9 t -84.36 103.79 13.83 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 102.798 -3.038 . . . . 0.0 102.798 168.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 26.9 mm -85.37 126.55 40.41 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 N-CA-C 105.471 -2.048 . . . . 0.0 105.471 172.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -83.05 115.5 21.89 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 102.568 -3.123 . . . . 0.0 102.568 168.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -142.84 135.51 27.82 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 105.406 -2.072 . . . . 0.0 105.406 -169.386 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 52.19 33.25 12.03 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.639 0.775 . . . . 0.0 111.321 -169.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 73.76 15.44 79.47 Favored Glycine 0 CA--C 1.53 0.97 0 CA-C-O 118.933 -0.926 . . . . 0.0 114.195 175.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -144.38 157.58 44.19 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 118.707 1.254 . . . . 0.0 110.277 -177.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -80.06 135.29 36.32 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.47 0.708 . . . . 0.0 109.463 -173.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -143.1 128.25 18.64 Favored 'General case' 0 N--CA 1.461 0.107 0 N-CA-C 106.872 -1.529 . . . . 0.0 106.872 -178.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 92.2 m95 -81.0 128.24 33.48 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.778 -0.576 . . . . 0.0 110.13 177.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -131.27 163.81 26.97 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.489 1.516 . . . . 0.0 107.005 169.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 62.9 pttt -111.52 166.87 10.77 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.274 1.03 . . . . 0.0 110.266 -177.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 23.7 ttp180 -41.69 -55.85 2.83 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 114.66 1.356 . . . . 0.0 114.66 -176.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 2.2 ppp? -71.7 -15.54 62.21 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 121.116 1.78 . . . . 0.0 113.847 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -93.15 -1.94 55.85 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.34 1.856 . . . . 0.0 111.068 172.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 75.7 t -120.09 91.02 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 N-CA-C 105.769 -1.938 . . . . 0.0 105.769 176.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 8.1 pt -107.93 165.68 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 -173.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 8.1 mt -115.2 118.48 33.43 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 106.69 -1.596 . . . . 0.0 106.69 -176.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 3.3 m -58.17 145.27 37.67 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 106.416 -1.698 . . . . 0.0 106.416 169.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.6 pp -53.48 -35.36 60.49 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -169.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -68.1 -36.43 79.77 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.855 0.862 . . . . 0.0 110.582 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -70.78 -48.8 52.41 Favored 'General case' 0 C--O 1.224 -0.272 0 C-N-CA 124.859 1.264 . . . . 0.0 108.016 176.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -62.77 -29.27 73.44 Favored Glycine 0 C--N 1.339 0.696 0 C-N-CA 124.218 0.913 . . . . 0.0 112.364 -177.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -56.87 -39.22 73.93 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 118.608 1.204 . . . . 0.0 112.279 174.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -60.93 -20.54 62.33 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 118.484 0.584 . . . . 0.0 111.656 178.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 7.0 mp -98.34 -26.25 14.56 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.623 1.169 . . . . 0.0 110.809 177.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 66.4 ttp85 -56.72 -39.6 74.2 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 119.573 1.079 . . . . 0.0 111.3 -176.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -60.04 -19.71 54.17 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 118.074 -0.965 . . . . 0.0 113.318 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -114.86 -48.47 2.84 Favored 'General case' 0 C--N 1.347 0.487 0 CA-C-N 119.925 1.238 . . . . 0.0 112.428 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 9.4 m-30 -91.51 -9.36 44.71 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.34 1.056 . . . . 0.0 112.283 -170.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -55.97 130.81 49.51 Favored Glycine 0 CA--C 1.526 0.726 0 C-N-CA 125.421 1.486 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.7 -45.73 77.84 Favored 'General case' 0 C--N 1.342 0.248 0 CA-C-N 118.264 1.032 . . . . 0.0 109.227 174.004 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.119 0 N-CA-C 109.041 -1.624 . . . . 0.0 109.041 -176.131 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 363' ' ' ARG . . . . . . . . . . . . . 58.9 ttm-85 . . . . . 0 N--CA 1.492 1.652 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -119.1 -178.46 3.58 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.285 1.434 . . . . 0.0 107.693 169.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 365' ' ' HIS . . . . . . . . . . . . . 31.5 t60 -56.68 152.45 12.16 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 122.753 0.421 . . . . 0.0 110.184 174.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 366' ' ' SER . . . . . . . . . . . . . 12.6 m -73.8 46.09 0.21 Allowed 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 127.15 2.18 . . . . 0.0 113.667 -172.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 12.0 m 69.81 -28.02 0.16 Allowed 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 128.024 2.529 . . . . 0.0 114.325 179.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 368' ' ' HIS . . . . . . . . . . . . . 2.2 t60 48.7 -154.64 0.09 Allowed 'General case' 0 C--O 1.237 0.396 0 C-N-CA 124.18 0.992 . . . . 0.0 110.264 -170.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.32 129.32 53.69 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 104.011 -2.588 . . . . 0.0 104.011 169.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 370' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 104.03 -2.582 . . . . 0.0 104.03 172.351 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 371' ' ' SER . . . . . . . . . . . . . 1.7 p -63.75 -4.74 3.34 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.312 1.445 . . . . 0.0 113.962 -169.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 372' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -54.32 -45.37 72.61 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.3 1.04 . . . . 0.0 110.284 169.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 373' ' ' LYS . . . . . . . . . . . . . 32.8 mmmt -136.12 18.33 3.21 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.602 1.561 . . . . 0.0 111.019 179.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 374' ' ' GLY . . . . . . . . . . . . . . . 66.46 -71.58 0.15 Allowed Glycine 0 CA--C 1.531 1.09 0 C-N-CA 125.941 1.734 . . . . 0.0 111.599 -170.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -152.45 -7.8 0.2 Allowed 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.233 1.413 . . . . 0.0 111.956 174.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 17.3 m -69.85 161.34 30.09 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 119.279 0.945 . . . . 0.0 111.533 -174.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 26.3 m . . . . . 0 C--O 1.255 1.345 0 N-CA-C 106.077 -1.823 . . . . 0.0 106.077 175.676 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.575 0 CA-C-O 121.417 0.454 . . . . 0.0 112.322 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -151.63 170.53 19.47 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.083 1.353 . . . . 0.0 108.75 177.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 77.6 mtm -60.05 153.95 20.38 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.277 0.631 . . . . 0.0 109.678 169.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 59.7 t30 -65.19 149.29 50.17 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 176.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 20.1 m -63.29 99.9 0.21 Allowed 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 124.223 1.009 . . . . 0.0 109.987 174.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 84.6 m-85 67.04 -64.24 0.25 Allowed 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 127.676 2.39 . . . . 0.0 114.452 169.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 6.6 t -59.51 115.8 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 C-N-CA 125.496 1.518 . . . . 0.0 108.613 -173.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 114.55 -23.73 11.88 Favored Glycine 0 CA--C 1.529 0.936 0 C-N-CA 125.372 1.463 . . . . 0.0 112.219 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 8.6 mp -74.58 137.86 42.63 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 118.747 1.274 . . . . 0.0 110.972 -172.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 43.2 mtp180 -77.17 128.86 35.15 Favored 'General case' 0 N--CA 1.463 0.205 0 N-CA-C 105.955 -1.868 . . . . 0.0 105.955 168.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 22.2 m -146.31 -175.41 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 C-N-CA 125.786 1.635 . . . . 0.0 107.463 -174.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 3.9 t -120.68 143.7 31.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 104.648 -2.353 . . . . 0.0 104.648 169.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -144.39 153.26 41.75 Favored 'General case' 0 CA--C 1.513 -0.453 0 O-C-N 121.189 -0.945 . . . . 0.0 108.803 -170.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 72.1 tttt -81.8 127.66 33.2 Favored 'General case' 0 CA--C 1.507 -0.673 0 N-CA-C 106.419 -1.697 . . . . 0.0 106.419 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 27.4 t-105 -64.69 123.5 19.47 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 106.792 -1.559 . . . . 0.0 106.792 169.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.47 -29.68 26.01 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 126.825 2.05 . . . . 0.0 116.06 -168.1 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 12.6 m -81.46 55.46 2.62 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 119.27 0.941 . . . . 0.0 110.853 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 63.8 t30 44.45 45.43 7.57 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 127.872 2.469 . . . . 0.0 113.546 -176.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -96.86 -171.11 34.11 Favored Glycine 0 C--N 1.338 0.674 0 CA-C-O 121.983 0.768 . . . . 0.0 113.888 -174.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 13.3 m-30 -71.94 169.31 16.14 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 126.01 1.724 . . . . 0.0 110.816 171.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -85.85 108.43 18.13 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 173.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -99.46 150.96 21.65 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.796 1.238 . . . . 0.0 107.711 178.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 7.8 m -72.02 147.19 47.1 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.354 0.661 . . . . 0.0 110.273 177.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -171.82 -174.46 39.37 Favored Glycine 0 C--N 1.336 0.546 0 O-C-N 121.687 -0.633 . . . . 0.0 112.23 -176.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 41.1 mtmt -130.84 130.83 44.12 Favored 'General case' 0 CA--C 1.516 -0.341 0 C-N-CA 126.129 1.772 . . . . 0.0 106.947 -173.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 18.8 mt -73.34 130.62 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 66.3 p -104.8 -37.19 7.13 Favored 'General case' 0 CA--C 1.517 -0.289 0 C-N-CA 122.995 0.518 . . . . 0.0 111.036 -171.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -169.0 141.07 2.59 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 123.949 0.9 . . . . 0.0 111.431 177.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 8.1 t70 -68.26 102.82 1.45 Allowed 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.041 1.336 . . . . 0.0 107.887 168.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.5 t -64.66 -50.1 77.26 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 C-N-CA 123.619 0.768 . . . . 0.0 108.935 -177.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 146.62 163.89 10.69 Favored Glycine 0 C--N 1.338 0.667 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 58.87 8.79 1.02 Allowed 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 177.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 103.09 -7.37 52.22 Favored Glycine 0 CA--C 1.525 0.675 0 C-N-CA 124.716 1.151 . . . . 0.0 111.471 -173.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -74.66 137.69 42.36 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-N 120.576 2.188 . . . . 0.0 107.674 169.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -126.42 139.05 53.56 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 104.805 -2.294 . . . . 0.0 104.805 169.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -84.24 140.46 31.66 Favored 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 107.559 -1.274 . . . . 0.0 107.559 175.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.0 mm? -125.72 119.38 27.83 Favored 'General case' 0 CA--C 1.51 -0.587 0 N-CA-C 107.956 -1.128 . . . . 0.0 107.956 -169.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 42.8 tp -83.74 94.23 8.11 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 104.538 -2.393 . . . . 0.0 104.538 169.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -56.73 150.17 16.54 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 172.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -67.01 -16.84 64.62 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -170.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 24.6 p-10 -85.55 2.93 42.83 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.733 1.613 . . . . 0.0 112.721 172.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 101.57 -3.61 53.66 Favored Glycine 0 CA--C 1.53 1.0 0 C-N-CA 125.183 1.373 . . . . 0.0 114.217 169.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -79.68 155.41 28.05 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 118.347 1.074 . . . . 0.0 109.413 -176.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -141.44 117.47 10.57 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 -175.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 83.2 m -143.69 164.79 29.46 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.411 1.484 . . . . 0.0 108.058 175.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -83.45 142.08 31.22 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 123.87 0.868 . . . . 0.0 108.783 174.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 88.5 t -141.06 134.72 31.91 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.311 0 N-CA-C 107.113 -1.44 . . . . 0.0 107.113 178.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.5 mt -70.54 148.0 48.69 Favored 'General case' 0 C--O 1.22 -0.461 0 O-C-N 121.782 -0.574 . . . . 0.0 110.619 176.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -54.19 -33.85 52.51 Favored Glycine 0 C--N 1.335 0.51 0 C-N-CA 124.189 0.899 . . . . 0.0 112.992 176.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.76 -24.59 23.19 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.082 0.553 . . . . 0.0 112.142 173.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -113.97 22.31 14.04 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.21 1.804 . . . . 0.0 111.242 -170.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 1.7 mt -127.01 133.91 67.33 Favored 'Isoleucine or valine' 0 C--N 1.343 0.294 0 N-CA-C 106.693 -1.595 . . . . 0.0 106.693 177.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 58.7 mt -112.69 110.45 20.6 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 128.682 2.793 . . . . 0.0 104.69 -176.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.0 -4.3 17.97 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 116.392 1.997 . . . . 0.0 116.392 -169.045 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 19.7 p -131.01 53.16 2.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 105.59 -2.004 . . . . 0.0 105.59 -177.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 53.7 t0 -118.55 62.78 5.22 Favored Pre-proline 0 C--O 1.237 0.406 0 N-CA-C 116.848 2.166 . . . . 0.0 116.848 -168.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -74.38 122.86 7.77 Favored 'Trans proline' 0 CA--C 1.55 1.282 1 N-CA-C 100.346 -4.521 . . . . 0.0 100.346 165.525 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 8.6 mm -60.42 122.86 70.54 Favored Pre-proline 0 CA--C 1.543 0.683 0 CA-C-N 119.863 1.211 . . . . 0.0 109.595 -168.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -62.55 143.76 93.38 Favored 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 121.942 1.761 . . . . 0.0 110.438 177.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 3.8 mp -58.1 148.9 25.04 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 170.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 4.9 t70 71.65 -2.14 2.56 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.848 2.059 . . . . 0.0 113.892 -175.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 25.7 m -69.48 135.96 50.85 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 169.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -82.14 136.77 35.1 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 171.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 1.6 m -146.55 162.36 9.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 C-N-CA 125.102 1.361 . . . . 0.0 109.094 -170.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 9.0 m -90.1 137.83 32.02 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 104.973 -2.232 . . . . 0.0 104.973 169.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -116.56 142.23 47.16 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 125.558 1.543 . . . . 0.0 107.881 177.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -139.26 128.57 24.11 Favored 'General case' 0 CA--C 1.511 -0.523 0 C-N-CA 124.166 0.986 . . . . 0.0 109.541 -169.339 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1548 ' ' SER . . . . . 0.472 ' C ' ' H ' ' A' 1550 ' ' ASP . 52.7 m -68.4 169.42 10.75 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 106.774 -1.565 . . . . 0.0 106.774 167.703 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -71.58 12.73 0.32 Allowed 'General case' 0 CA--C 1.552 1.034 0 O-C-N 120.336 -1.477 . . . . 0.0 112.27 176.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1550 ' ' ASP . . . . . 0.472 ' H ' ' C ' ' A' 1548 ' ' SER . 29.1 t0 -144.09 167.53 22.17 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 128.573 2.749 . . . . 0.0 105.747 169.56 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -52.48 8.44 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 121.06 3.726 . . . . 0.0 121.06 -168.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -67.89 120.4 14.12 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 106.726 -1.583 . . . . 0.0 106.726 169.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -136.08 132.31 35.96 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 124.721 1.208 . . . . 0.0 109.026 -169.58 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 7.2 p -151.88 178.47 9.37 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.325 1.45 . . . . 0.0 109.911 174.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -128.87 155.34 45.39 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 119.465 1.03 . . . . 0.0 110.532 170.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.92 -162.92 24.1 Favored Glycine 0 CA--C 1.53 0.988 0 C-N-CA 126.605 2.05 . . . . 0.0 108.707 -170.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.4 t -129.92 142.63 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 CA-C-N 119.235 1.517 . . . . 0.0 110.099 -172.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 82.1 t -65.08 127.3 25.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 171.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 68.1 mmtt -128.67 11.92 6.27 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 119.149 0.886 . . . . 0.0 111.634 170.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -178.62 179.71 48.66 Favored Glycine 0 CA--C 1.523 0.572 0 CA-C-N 118.798 0.726 . . . . 0.0 112.188 173.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 9.3 m80 -140.83 154.28 46.14 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 126.889 2.076 . . . . 0.0 110.86 -173.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 -150.14 162.11 41.07 Favored 'General case' 0 N--CA 1.462 0.128 0 C-N-CA 125.438 1.495 . . . . 0.0 107.48 170.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 11.0 mmtp -129.0 125.79 38.15 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 105.885 -1.894 . . . . 0.0 105.885 169.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -151.18 140.75 21.64 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 -175.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 35.6 m 50.45 29.77 4.17 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.525 1.13 . . . . 0.0 113.759 177.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 66.16 34.65 88.84 Favored Glycine 0 CA--C 1.533 1.204 0 CA-C-O 119.441 -0.644 . . . . 0.0 112.157 -177.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -138.51 152.43 48.24 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 105.961 -1.866 . . . . 0.0 105.961 176.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 38.0 tp -94.19 134.05 37.06 Favored 'General case' 0 N--CA 1.446 -0.671 0 C-N-CA 125.594 1.558 . . . . 0.0 108.114 -176.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -124.48 155.58 38.69 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 125.171 1.388 . . . . 0.0 108.662 -174.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -138.81 127.35 23.19 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 106.013 -1.847 . . . . 0.0 106.013 -175.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.1 p -84.18 96.19 8.88 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 104.694 -2.335 . . . . 0.0 104.694 169.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 38.4 mm -78.05 134.51 28.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 105.951 -1.87 . . . . 0.0 105.951 177.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -93.88 120.01 33.57 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 105.116 -2.179 . . . . 0.0 105.116 169.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -145.23 135.89 24.4 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 105.175 -2.157 . . . . 0.0 105.175 -170.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 51.74 33.57 11.36 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.89 0.876 . . . . 0.0 111.963 -170.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 70.42 18.85 75.66 Favored Glycine 0 CA--C 1.532 1.106 0 O-C-N 121.581 -0.699 . . . . 0.0 113.82 175.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -142.27 158.01 44.19 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.764 1.225 . . . . 0.0 108.597 179.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 85.4 mtm-85 -101.04 142.33 32.66 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 118.814 0.734 . . . . 0.0 110.124 -169.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -146.25 132.52 19.5 Favored 'General case' 0 N--CA 1.461 0.076 0 N-CA-C 106.732 -1.581 . . . . 0.0 106.732 -169.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 89.4 m95 -80.79 130.84 35.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 118.738 0.699 . . . . 0.0 109.919 177.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -131.77 162.5 30.36 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 169.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -106.89 165.56 11.24 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.658 1.183 . . . . 0.0 110.119 -175.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 49.4 ttt180 -53.7 -42.22 67.78 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 120.657 1.572 . . . . 0.0 113.273 -174.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 1.4 ppp? -70.83 -21.27 62.47 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 121.005 1.73 . . . . 0.0 112.778 177.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -88.64 -8.31 54.84 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 124.763 1.225 . . . . 0.0 111.619 176.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 82.2 t -116.39 93.03 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 N-CA-C 105.803 -1.925 . . . . 0.0 105.803 -177.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 10.0 pt -110.9 164.03 7.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 -172.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 5.0 mt -110.29 116.81 32.13 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 -176.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.73 148.24 10.26 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 169.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.5 pp -56.88 -33.64 67.07 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 -168.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -69.71 -36.02 75.55 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.339 -0.851 . . . . 0.0 109.754 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -67.29 -52.62 38.36 Favored 'General case' 0 C--N 1.34 0.187 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 176.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -63.27 -28.08 71.69 Favored Glycine 0 C--N 1.34 0.779 0 CA-C-O 119.409 -0.662 . . . . 0.0 111.943 -174.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -57.38 -43.27 83.46 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 118.882 1.341 . . . . 0.0 111.694 173.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 29.2 mtt85 -61.59 -17.33 54.69 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 178.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.0 mp -99.62 -27.25 13.77 Favored 'General case' 0 C--N 1.34 0.187 0 C-N-CA 124.394 1.078 . . . . 0.0 110.554 176.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 65.9 ttp85 -57.99 -38.31 75.87 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 119.404 1.002 . . . . 0.0 111.349 -177.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -58.26 -22.22 51.58 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 118.055 -0.974 . . . . 0.0 113.196 178.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -115.02 -48.16 2.84 Favored 'General case' 0 C--N 1.347 0.458 0 CA-C-N 120.09 1.314 . . . . 0.0 112.067 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.0 m-30 -91.59 -10.51 40.26 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 124.613 1.165 . . . . 0.0 112.072 -170.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -52.59 130.89 39.21 Favored Glycine 0 CA--C 1.527 0.84 0 C-N-CA 125.394 1.473 . . . . 0.0 110.648 175.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.26 -48.37 67.91 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 118.73 1.265 . . . . 0.0 109.087 174.48 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.184 0 N-CA-C 109.189 -1.565 . . . . 0.0 109.189 -175.961 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 363' ' ' ARG . . . . . . . . . . . . . 33.4 tpt85 . . . . . 0 N--CA 1.497 1.877 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -81.32 -174.22 4.79 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 107.049 -1.463 . . . . 0.0 107.049 168.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 365' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -154.95 173.95 15.83 Favored 'General case' 0 C--O 1.238 0.492 0 O-C-N 121.249 -0.907 . . . . 0.0 109.821 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 366' ' ' SER . . . . . . . . . . . . . 15.1 m -59.26 173.82 0.46 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.748 1.219 . . . . 0.0 110.653 169.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 5.7 m -53.97 -28.26 36.51 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.513 1.125 . . . . 0.0 113.221 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 368' ' ' HIS . . . . . . . . . . . . . 2.7 t60 48.53 -92.88 0.02 OUTLIER 'General case' 0 C--N 1.342 0.245 0 C-N-CA 127.362 2.265 . . . . 0.0 110.9 -171.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 28.4 tp -167.64 134.29 2.17 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 105.422 -2.066 . . . . 0.0 105.422 -170.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 370' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.365 0 N-CA-C 103.542 -2.762 . . . . 0.0 103.542 169.738 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 371' ' ' SER . . . . . . . . . . . . . 2.1 p -52.19 -13.19 0.3 Allowed 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 129.043 2.937 . . . . 0.0 115.861 -169.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 372' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -128.97 -62.59 1.0 Allowed 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.254 1.022 . . . . 0.0 109.765 169.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 373' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -60.09 -23.77 64.07 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 114.058 1.132 . . . . 0.0 114.058 -171.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 374' ' ' GLY . . . . . . . . . . . . . . . -125.48 29.61 4.71 Favored Glycine 0 CA--C 1.53 0.972 0 C-N-CA 124.922 1.249 . . . . 0.0 111.124 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -140.85 -43.8 0.39 Allowed 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.028 0.931 . . . . 0.0 110.369 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 15.2 m -70.18 -15.36 62.93 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.753 0.821 . . . . 0.0 112.004 172.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 18.5 m . . . . . 0 C--O 1.255 1.349 0 C-N-CA 126.649 1.979 . . . . 0.0 105.763 -176.135 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.78 0 N-CA-C 111.953 -0.459 . . . . 0.0 111.953 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -149.83 168.75 22.84 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 124.893 1.277 . . . . 0.0 109.184 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 47.2 tpp -57.45 146.35 29.86 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.15 0.98 . . . . 0.0 110.173 171.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 55.0 t30 -153.46 163.01 40.69 Favored 'General case' 0 N--CA 1.461 0.106 0 C-N-CA 124.868 1.267 . . . . 0.0 108.933 178.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 16.7 m -65.54 86.91 0.08 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.819 1.248 . . . . 0.0 110.275 173.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 94.4 m-85 69.29 -65.03 0.31 Allowed 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 127.687 2.395 . . . . 0.0 113.876 171.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 4.0 t -57.27 114.91 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 C-N-CA 125.154 1.382 . . . . 0.0 108.969 -175.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 114.04 -20.48 16.84 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 125.18 1.372 . . . . 0.0 112.486 178.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 9.4 mp -74.4 137.84 42.96 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 118.845 1.323 . . . . 0.0 110.376 -174.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 91.4 mtm-85 -76.52 126.8 31.62 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 106.457 -1.682 . . . . 0.0 106.457 168.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 17.1 m -146.67 -177.72 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 -173.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 7.6 t -117.89 151.64 19.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 105.25 -2.13 . . . . 0.0 105.25 169.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -150.39 152.78 34.87 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 121.188 -0.945 . . . . 0.0 109.35 -172.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 77.1 tttt -83.11 127.52 33.67 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 178.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 10.9 t-105 -79.76 146.78 32.15 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 169.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 1.5 m -65.74 -172.26 0.12 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.913 1.685 . . . . 0.0 113.031 -173.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 13.0 m 55.18 39.7 31.51 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 120.727 -1.233 . . . . 0.0 110.821 -175.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 65.8 t30 48.69 48.1 20.23 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.796 2.038 . . . . 0.0 113.435 -174.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -84.73 178.03 51.26 Favored Glycine 0 CA--C 1.528 0.851 0 CA-C-O 122.476 1.042 . . . . 0.0 113.868 -177.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 10.1 m-30 -73.03 169.76 16.29 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 126.582 1.953 . . . . 0.0 110.101 173.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 1.8 m-30 -99.0 110.55 23.15 Favored 'General case' 0 N--CA 1.443 -0.784 0 N-CA-C 105.659 -1.978 . . . . 0.0 105.659 -175.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -104.7 155.36 18.94 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.09 1.356 . . . . 0.0 108.063 -174.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 5.1 m -70.13 150.15 46.83 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.708 0.803 . . . . 0.0 110.598 176.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -168.7 -174.47 37.38 Favored Glycine 0 C--N 1.336 0.55 0 N-CA-C 111.343 -0.703 . . . . 0.0 111.343 173.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.36 142.75 51.32 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 171.485 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 16.4 mt -73.54 132.2 33.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 106.217 -1.772 . . . . 0.0 106.217 179.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 79.0 p -107.71 -36.88 6.3 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 117.99 0.359 . . . . 0.0 110.607 -169.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -165.92 142.02 5.07 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.947 0.899 . . . . 0.0 110.997 175.153 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 6.9 t70 -69.04 102.17 1.56 Allowed 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 125.571 1.549 . . . . 0.0 107.579 169.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.4 t -64.63 -49.81 78.65 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 -176.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 144.39 168.48 12.57 Favored Glycine 0 C--N 1.334 0.469 0 N-CA-C 109.587 -1.405 . . . . 0.0 109.587 173.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 60.76 4.83 0.82 Allowed 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 114.787 1.402 . . . . 0.0 114.787 178.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 109.16 -9.33 33.53 Favored Glycine 0 CA--C 1.526 0.73 0 C-N-CA 124.762 1.172 . . . . 0.0 111.109 -173.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -74.93 137.99 42.04 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 120.276 2.038 . . . . 0.0 108.336 170.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -128.98 136.68 50.67 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 104.784 -2.302 . . . . 0.0 104.784 169.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 29.6 ttpt -83.75 141.56 31.34 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 177.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.1 mm? -125.21 119.83 29.6 Favored 'General case' 0 CA--C 1.508 -0.646 0 C-N-CA 124.641 1.176 . . . . 0.0 108.336 -170.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 29.3 tp -83.66 94.96 8.22 Favored 'General case' 0 CA--C 1.51 -0.58 0 N-CA-C 104.185 -2.524 . . . . 0.0 104.185 169.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -58.17 142.92 45.88 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 171.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -62.25 -23.01 66.43 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 122.661 0.384 . . . . 0.0 111.231 178.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 29.8 t70 -61.79 -20.2 63.34 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.365 1.466 . . . . 0.0 112.72 173.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 116.65 -2.01 20.06 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 126.167 1.841 . . . . 0.0 112.966 170.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -92.28 159.82 15.43 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 124.871 1.268 . . . . 0.0 110.167 -171.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -139.65 117.11 11.37 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 -177.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 51.0 m -144.6 159.24 43.12 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 124.721 1.208 . . . . 0.0 108.45 177.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -73.76 143.92 45.86 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 171.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 98.8 t -139.92 141.03 34.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 N-CA-C 106.494 -1.669 . . . . 0.0 106.494 171.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 5.4 mt -77.65 149.81 34.65 Favored 'General case' 0 CA--C 1.51 -0.596 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.811 177.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -52.45 -40.29 53.91 Favored Glycine 0 C--N 1.335 0.508 0 C-N-CA 124.814 1.197 . . . . 0.0 112.686 -176.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.67 -31.01 64.01 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 117.801 0.8 . . . . 0.0 112.001 177.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -100.45 23.82 9.74 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.525 1.53 . . . . 0.0 112.841 -172.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -126.5 131.05 71.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 104.809 -2.293 . . . . 0.0 104.809 177.461 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 52.3 mt -112.95 110.76 21.05 Favored 'General case' 0 CA--C 1.522 -0.116 0 N-CA-C 104.696 -2.335 . . . . 0.0 104.696 -174.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.71 -3.18 20.82 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -168.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 23.3 p -131.83 53.33 2.0 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 105.818 -1.919 . . . . 0.0 105.818 -177.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 50.9 t0 -118.45 57.58 3.04 Favored Pre-proline 0 CA--C 1.542 0.649 0 N-CA-C 117.032 2.234 . . . . 0.0 117.032 -168.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -70.34 121.97 8.51 Favored 'Trans proline' 0 CA--C 1.544 0.98 1 N-CA-C 99.939 -4.677 . . . . 0.0 99.939 165.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 5.1 mm -59.34 121.26 55.05 Favored Pre-proline 0 N--CA 1.468 0.429 0 CA-C-N 119.523 1.056 . . . . 0.0 109.031 -168.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -61.84 144.78 97.13 Favored 'Trans proline' 0 N--CA 1.452 -0.953 0 C-N-CA 121.948 1.766 . . . . 0.0 110.592 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 4.0 mp -59.89 147.84 37.04 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 169.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 23.2 t70 74.2 -4.6 2.26 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 127.002 2.121 . . . . 0.0 113.551 -175.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 20.2 m -68.23 135.07 51.42 Favored 'General case' 0 C--O 1.239 0.526 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 169.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -83.14 135.48 34.79 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 171.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 2.4 m -147.67 163.59 6.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 C-N-CA 124.506 1.122 . . . . 0.0 109.207 -171.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 7.8 m -87.84 139.94 30.01 Favored 'General case' 0 N--CA 1.442 -0.847 0 N-CA-C 105.406 -2.072 . . . . 0.0 105.406 169.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -108.05 136.79 47.15 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 106.486 -1.672 . . . . 0.0 106.486 171.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -137.45 100.36 4.21 Favored 'General case' 0 CA--C 1.516 -0.346 0 C-N-CA 123.455 0.702 . . . . 0.0 109.824 -169.479 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 13.5 m -61.18 121.95 13.82 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 104.248 -2.501 . . . . 0.0 104.248 168.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -44.68 -30.2 0.89 Allowed 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 126.09 1.756 . . . . 0.0 115.546 -168.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 28.4 t70 -68.63 -48.13 64.87 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 118.592 0.633 . . . . 0.0 111.569 -179.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -179.92 -25.82 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 173.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -54.93 121.26 8.27 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 119.168 0.894 . . . . 0.0 111.426 -168.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 10.6 t80 -116.25 129.34 56.23 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 124.828 1.251 . . . . 0.0 110.956 -168.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 2.8 p -151.97 177.62 10.27 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.191 1.396 . . . . 0.0 109.747 170.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -135.76 157.03 47.87 Favored 'General case' 0 N--CA 1.466 0.347 0 O-C-N 120.838 -1.164 . . . . 0.0 111.048 172.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.65 -160.95 20.38 Favored Glycine 0 CA--C 1.528 0.885 0 C-N-CA 126.628 2.061 . . . . 0.0 108.773 -171.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.9 t -130.12 142.04 44.81 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-N 118.633 1.217 . . . . 0.0 109.591 -173.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 90.4 t -65.85 126.12 24.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 171.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 82.3 mttt -130.44 18.87 5.29 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.458 1.026 . . . . 0.0 111.628 169.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 178.39 179.38 48.29 Favored Glycine 0 C--N 1.337 0.628 0 O-C-N 121.774 -0.579 . . . . 0.0 111.978 171.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 9.9 m80 -142.84 155.96 44.87 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 126.181 1.792 . . . . 0.0 110.992 -171.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 50.3 ttt180 -151.26 160.42 43.83 Favored 'General case' 0 N--CA 1.462 0.127 0 C-N-CA 125.309 1.444 . . . . 0.0 107.41 170.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -129.45 126.08 37.91 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 106.372 -1.714 . . . . 0.0 106.372 169.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -150.57 139.11 20.55 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 -174.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 27.8 m 50.26 30.81 4.65 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.343 1.057 . . . . 0.0 113.755 179.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 66.69 33.15 83.46 Favored Glycine 0 CA--C 1.531 1.09 0 O-C-N 121.637 -0.665 . . . . 0.0 112.41 -178.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -139.38 149.93 44.72 Favored 'General case' 0 C--O 1.237 0.412 0 N-CA-C 106.498 -1.667 . . . . 0.0 106.498 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 44.7 tp -97.06 134.71 40.06 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 124.322 1.049 . . . . 0.0 108.783 -171.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -127.69 158.07 38.59 Favored 'General case' 0 CA--C 1.516 -0.362 0 C-N-CA 125.247 1.419 . . . . 0.0 109.587 -173.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -141.78 129.09 21.12 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 106.63 -1.618 . . . . 0.0 106.63 -172.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.2 p -86.6 98.27 11.0 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 104.921 -2.252 . . . . 0.0 104.921 169.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 41.6 mm -79.98 127.99 38.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 N-CA-C 106.46 -1.681 . . . . 0.0 106.46 178.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -84.85 125.13 32.35 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 104.055 -2.572 . . . . 0.0 104.055 168.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 30.8 ttpt -144.74 135.07 24.3 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 105.015 -2.217 . . . . 0.0 105.015 -173.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 53.7 27.26 6.68 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.528 0.731 . . . . 0.0 112.467 -175.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 76.26 17.77 79.75 Favored Glycine 0 CA--C 1.532 1.108 0 O-C-N 121.603 -0.685 . . . . 0.0 113.42 176.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -140.71 162.23 35.89 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 124.755 1.222 . . . . 0.0 108.339 176.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -101.78 143.57 31.53 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 119.363 0.983 . . . . 0.0 109.917 -170.246 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -144.45 131.7 20.69 Favored 'General case' 0 C--N 1.334 -0.069 0 N-CA-C 106.244 -1.762 . . . . 0.0 106.244 -173.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 90.6 m95 -80.8 130.56 35.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 118.81 0.732 . . . . 0.0 109.91 176.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -133.1 159.5 39.92 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.743 1.217 . . . . 0.0 107.905 169.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 17.0 ptmt -101.36 164.41 11.79 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.647 1.179 . . . . 0.0 109.859 -176.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 61.3 ttp85 -42.3 -55.46 3.34 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.651 1.18 . . . . 0.0 113.632 179.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -71.1 -12.13 61.33 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 121.095 1.771 . . . . 0.0 114.374 -178.4 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -90.25 -16.29 29.65 Favored 'General case' 0 C--O 1.223 -0.292 0 C-N-CA 124.567 1.147 . . . . 0.0 110.757 171.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 62.0 t -109.15 91.04 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.656 0 N-CA-C 104.658 -2.349 . . . . 0.0 104.658 -176.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 6.5 pt -118.06 156.49 19.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 114.484 -1.235 . . . . 0.0 107.757 -169.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 3.4 mt -105.57 118.19 35.94 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 -170.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.33 145.61 21.6 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 106.33 -1.73 . . . . 0.0 106.33 169.533 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.7 pp -54.33 -35.39 62.64 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.568 1.076 . . . . 0.0 113.352 -169.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 30.3 tp10 -67.73 -39.23 84.28 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 121.682 -0.636 . . . . 0.0 110.183 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -63.19 -51.98 64.13 Favored 'General case' 0 C--O 1.225 -0.236 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 174.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -59.39 -33.43 76.03 Favored Glycine 0 C--N 1.338 0.675 0 C-N-CA 124.185 0.898 . . . . 0.0 112.243 -175.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -57.72 -45.52 85.65 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 118.436 1.118 . . . . 0.0 111.196 176.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 18.7 mtt-85 -62.36 -19.39 63.32 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.065 0.546 . . . . 0.0 112.324 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.1 mp -94.26 -29.66 14.95 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.04 0.936 . . . . 0.0 110.398 173.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -56.4 -38.77 71.96 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.713 1.205 . . . . 0.0 112.049 -175.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -59.23 -21.18 59.15 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 118.189 -0.91 . . . . 0.0 113.382 177.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -114.36 -48.03 2.9 Favored 'General case' 0 C--N 1.347 0.491 0 CA-C-N 119.987 1.267 . . . . 0.0 112.046 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 9.1 m-30 -90.78 -11.07 40.58 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 124.421 1.088 . . . . 0.0 112.358 -170.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -53.57 131.51 43.13 Favored Glycine 0 CA--C 1.529 0.933 0 C-N-CA 125.396 1.474 . . . . 0.0 110.378 176.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.08 -42.47 94.07 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 118.187 0.993 . . . . 0.0 109.679 174.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.373 0 N-CA-C 109.291 -1.524 . . . . 0.0 109.291 -173.646 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 363' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 120.778 0.323 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -131.58 142.89 50.0 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 105.523 -2.029 . . . . 0.0 105.523 168.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 365' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -69.81 170.71 10.5 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.54 0.736 . . . . 0.0 110.52 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 366' ' ' SER . . . . . . . . . . . . . 20.2 m -54.72 168.56 0.27 Allowed 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.53 1.132 . . . . 0.0 112.09 170.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 6.0 m -56.94 -27.61 61.28 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 -174.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 368' ' ' HIS . . . . . . . . . . . . . 71.2 t60 45.9 -111.35 0.29 Allowed 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.182 1.393 . . . . 0.0 109.671 -174.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 16.4 tp -145.6 139.0 26.36 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 106.646 -1.613 . . . . 0.0 106.646 -178.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 370' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.303 0 C-N-CA 126.979 2.112 . . . . 0.0 105.483 175.555 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 371' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -24.71 -55.13 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 130.551 3.54 . . . . 0.0 115.911 -169.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 372' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -132.55 8.66 4.25 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.401 0.68 . . . . 0.0 112.823 -178.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 373' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -65.74 -43.39 89.15 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 121.487 -0.758 . . . . 0.0 109.593 174.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 374' ' ' GLY . . . . . . . . . . . . . . . -170.91 31.93 0.14 Allowed Glycine 0 CA--C 1.529 0.923 0 CA-C-O 119.403 -0.665 . . . . 0.0 112.601 -178.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -133.74 19.25 3.86 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.66 1.184 . . . . 0.0 110.885 -177.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 4.6 m -66.51 -18.16 65.21 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.552 1.141 . . . . 0.0 113.118 -174.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 15.1 m . . . . . 0 C--O 1.253 1.252 0 C-N-CA 125.879 1.671 . . . . 0.0 106.508 -175.151 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.522 0 N-CA-C 112.095 -0.402 . . . . 0.0 112.095 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 12.7 t60 -151.41 167.43 27.98 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.879 1.272 . . . . 0.0 108.972 177.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 97.3 mmm -63.31 159.85 17.14 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.773 0.829 . . . . 0.0 110.51 172.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 50.0 t30 -149.28 158.81 44.49 Favored 'General case' 0 N--CA 1.462 0.149 0 C-N-CA 125.324 1.449 . . . . 0.0 108.595 176.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 18.5 m -64.59 95.42 0.14 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.252 1.021 . . . . 0.0 109.989 176.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 95.0 m-85 67.0 -65.1 0.23 Allowed 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 127.772 2.429 . . . . 0.0 114.074 172.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 6.4 t -57.04 114.51 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.556 0 C-N-CA 125.679 1.592 . . . . 0.0 108.806 -176.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 115.18 -22.5 12.2 Favored Glycine 0 CA--C 1.531 1.092 0 C-N-CA 125.127 1.346 . . . . 0.0 112.826 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 9.1 mp -74.23 140.48 45.08 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.749 1.274 . . . . 0.0 111.022 -174.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 54.4 mtp180 -81.65 126.71 32.09 Favored 'General case' 0 C--O 1.23 0.048 0 N-CA-C 105.801 -1.926 . . . . 0.0 105.801 168.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 15.9 m -143.77 -175.18 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 C-N-CA 125.139 1.376 . . . . 0.0 107.96 -173.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.7 t -121.41 145.75 27.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 105.661 -1.977 . . . . 0.0 105.661 170.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -147.4 152.42 38.13 Favored 'General case' 0 CA--C 1.519 -0.247 0 C-N-CA 124.18 0.992 . . . . 0.0 109.692 -169.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 78.0 tttt -83.81 130.38 34.93 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 107.618 -1.252 . . . . 0.0 107.618 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 20.8 t-105 -75.18 138.15 41.79 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 169.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 1.3 m -61.45 -23.48 65.88 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 118.061 2.615 . . . . 0.0 118.061 -168.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 7.0 m -76.76 45.26 0.41 Allowed 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 121.121 1.782 . . . . 0.0 111.77 179.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 66.9 t30 46.77 43.56 13.18 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.033 1.733 . . . . 0.0 110.96 -169.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -89.19 -178.77 45.7 Favored Glycine 0 C--N 1.337 0.609 0 CA-C-O 122.353 0.974 . . . . 0.0 113.363 -169.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 10.1 m-30 -69.38 167.94 15.46 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 126.254 1.822 . . . . 0.0 109.923 170.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -94.49 107.98 19.94 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 105.225 -2.139 . . . . 0.0 105.225 -177.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -97.65 149.23 22.49 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -176.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 4.3 m -69.85 148.55 48.93 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.441 0.696 . . . . 0.0 109.772 175.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -173.16 -174.64 40.38 Favored Glycine 0 C--N 1.334 0.441 0 O-C-N 121.477 -0.764 . . . . 0.0 112.165 -177.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -129.92 129.22 43.59 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 125.919 1.687 . . . . 0.0 107.085 -172.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 23.3 mt -73.21 130.81 35.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 106.795 -1.558 . . . . 0.0 106.795 179.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 58.6 p -107.43 -35.78 6.67 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 123.231 0.613 . . . . 0.0 110.727 -170.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -167.81 141.47 3.41 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.744 0.818 . . . . 0.0 111.298 175.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 6.8 t0 -68.93 102.94 1.69 Allowed 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 124.994 1.318 . . . . 0.0 107.712 168.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.6 t -65.59 -50.84 69.24 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 -175.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 149.5 163.19 10.87 Favored Glycine 0 C--N 1.34 0.764 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 178.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.74 10.7 0.77 Allowed 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 115.205 1.558 . . . . 0.0 115.205 177.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 104.06 -5.92 46.6 Favored Glycine 0 C--N 1.337 0.621 0 C-N-CA 124.831 1.205 . . . . 0.0 111.53 -176.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 10.8 mtpp -74.94 135.31 41.41 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 120.36 2.08 . . . . 0.0 106.816 170.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -126.24 136.85 53.3 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 105.09 -2.189 . . . . 0.0 105.09 169.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -83.04 137.93 33.93 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 177.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.2 mm? -124.51 118.41 26.53 Favored 'General case' 0 CA--C 1.511 -0.543 0 C-N-CA 125.167 1.387 . . . . 0.0 108.387 -169.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 31.2 tp -83.79 93.45 7.97 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 104.353 -2.462 . . . . 0.0 104.353 168.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -56.14 146.91 21.72 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 172.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -66.86 -20.75 65.98 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.624 -171.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 36.3 p-10 -78.84 2.74 18.97 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.806 1.243 . . . . 0.0 113.29 171.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 105.34 -5.99 41.88 Favored Glycine 0 CA--C 1.532 1.108 0 C-N-CA 125.442 1.496 . . . . 0.0 114.992 169.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -85.11 157.06 20.79 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 118.326 1.063 . . . . 0.0 110.215 -172.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -139.07 117.66 12.17 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 -174.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 62.1 m -143.6 161.38 38.66 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 125.16 1.384 . . . . 0.0 108.141 176.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -85.0 142.24 29.75 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 171.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 80.4 t -142.19 137.7 29.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 N-CA-C 107.486 -1.301 . . . . 0.0 107.486 -178.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.7 mt -74.25 152.66 39.66 Favored 'General case' 0 C--O 1.22 -0.471 0 C-N-CA 123.16 0.584 . . . . 0.0 111.954 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -57.73 -38.07 86.54 Favored Glycine 0 C--N 1.335 0.501 0 C-N-CA 124.317 0.96 . . . . 0.0 112.629 -176.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -20.12 58.48 Favored 'General case' 0 C--O 1.223 -0.332 0 O-C-N 121.884 -0.774 . . . . 0.0 112.451 175.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -104.9 21.5 16.9 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.411 1.484 . . . . 0.0 111.892 -175.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -132.59 137.24 54.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 N-CA-C 106.308 -1.738 . . . . 0.0 106.308 -179.187 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 54.9 mt -117.2 114.99 24.45 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 127.313 2.245 . . . . 0.0 105.154 -176.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.55 -4.64 15.38 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 116.475 2.028 . . . . 0.0 116.475 -169.101 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 24.5 p -131.57 52.18 2.09 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 106.185 -1.783 . . . . 0.0 106.185 -177.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 52.6 t0 -115.78 65.01 2.42 Favored Pre-proline 0 CA--C 1.537 0.45 0 N-CA-C 116.609 2.077 . . . . 0.0 116.609 -168.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -72.46 119.19 5.97 Favored 'Trans proline' 0 CA--C 1.547 1.146 1 N-CA-C 101.015 -4.263 . . . . 0.0 101.015 166.02 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 9.9 mm -58.62 120.15 42.78 Favored Pre-proline 0 CA--C 1.538 0.491 0 CA-C-O 118.211 -0.899 . . . . 0.0 108.898 -168.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -61.9 144.09 96.25 Favored 'Trans proline' 0 N--CA 1.451 -1.006 0 C-N-CA 121.892 1.728 . . . . 0.0 110.393 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 4.0 mp -59.65 148.15 34.82 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 169.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 18.5 t70 74.14 -3.6 2.49 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.723 2.009 . . . . 0.0 113.686 -175.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 20.5 m -70.79 134.61 47.54 Favored 'General case' 0 C--O 1.239 0.501 0 O-C-N 120.931 -1.106 . . . . 0.0 108.191 170.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -77.15 136.23 38.59 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 169.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 1.6 m -147.79 163.65 6.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 124.551 1.141 . . . . 0.0 109.799 -175.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 8.7 m -88.69 143.88 26.64 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 105.984 -1.858 . . . . 0.0 105.984 169.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -119.08 140.67 49.7 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 125.609 1.563 . . . . 0.0 107.317 175.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -139.0 117.12 11.76 Favored 'General case' 0 CA--C 1.517 -0.326 0 C-N-CA 123.786 0.834 . . . . 0.0 110.098 -169.524 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 20.1 m -65.19 150.92 47.35 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 168.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -67.92 15.32 0.05 OUTLIER 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 126.316 1.847 . . . . 0.0 114.798 -169.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 36.0 t70 -123.49 -57.47 1.66 Allowed 'General case' 0 CA--C 1.532 0.277 0 O-C-N 121.114 -0.991 . . . . 0.0 111.094 178.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -167.17 -21.51 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 114.968 1.47 . . . . 0.0 114.968 169.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -55.84 122.71 12.12 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 118.755 0.707 . . . . 0.0 110.058 -170.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 1.4 t80 -121.14 131.98 54.58 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 125.334 1.454 . . . . 0.0 109.964 -168.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 2.2 p -152.09 177.89 10.03 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.692 1.597 . . . . 0.0 109.026 173.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -134.95 157.15 47.65 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 120.941 -1.099 . . . . 0.0 111.054 173.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.09 -160.11 17.61 Favored Glycine 0 CA--C 1.528 0.886 0 C-N-CA 126.686 2.088 . . . . 0.0 108.925 -172.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.9 t -130.95 143.58 40.42 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-N 118.481 1.14 . . . . 0.0 109.802 -174.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 58.0 t -66.3 127.01 26.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 174.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -132.71 20.43 4.23 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 119.132 0.878 . . . . 0.0 111.79 173.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 172.98 179.58 43.76 Favored Glycine 0 C--N 1.332 0.339 0 N-CA-C 111.044 -0.823 . . . . 0.0 111.044 169.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 9.8 m80 -141.55 155.09 45.8 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 126.262 1.825 . . . . 0.0 111.147 -174.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 46.0 ttt180 -150.31 161.86 41.64 Favored 'General case' 0 N--CA 1.46 0.072 0 C-N-CA 125.7 1.6 . . . . 0.0 107.167 171.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -131.13 124.52 30.89 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 106.271 -1.752 . . . . 0.0 106.271 170.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -150.5 140.23 21.73 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 -173.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 30.5 m 50.48 29.41 3.95 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.551 1.14 . . . . 0.0 113.56 178.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 67.46 34.26 84.08 Favored Glycine 0 CA--C 1.533 1.171 0 O-C-N 121.807 -0.558 . . . . 0.0 112.075 -178.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -140.34 152.01 45.47 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 106.671 -1.603 . . . . 0.0 106.671 177.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 36.6 tp -95.14 135.48 36.65 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 125.024 1.33 . . . . 0.0 108.428 -172.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -127.76 157.42 40.42 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 125.327 1.451 . . . . 0.0 109.386 -173.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -142.57 125.69 16.36 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 105.203 -2.147 . . . . 0.0 105.203 -170.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.1 p -85.88 92.18 8.57 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 105.459 -2.052 . . . . 0.0 105.459 170.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 43.0 mm -74.57 129.14 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -82.85 122.21 27.94 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 103.715 -2.698 . . . . 0.0 103.715 168.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -144.28 137.67 27.4 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 104.864 -2.273 . . . . 0.0 104.864 -176.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 54.18 27.51 7.86 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.556 0.742 . . . . 0.0 112.305 -174.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 81.67 12.24 81.87 Favored Glycine 0 CA--C 1.532 1.122 0 CA-C-O 119.017 -0.88 . . . . 0.0 113.607 175.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -143.35 154.58 43.89 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 118.563 1.181 . . . . 0.0 109.485 -178.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 77.5 mtm180 -84.63 145.17 28.14 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 121.096 -1.002 . . . . 0.0 110.214 -176.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.4 tmtm? -143.57 131.15 21.18 Favored 'General case' 0 C--O 1.227 -0.114 0 C-N-CA 126.441 1.896 . . . . 0.0 106.0 -176.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 90.3 m95 -80.57 131.23 35.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 119.008 0.822 . . . . 0.0 109.936 178.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -133.41 162.88 30.65 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.472 1.509 . . . . 0.0 107.451 169.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -110.05 167.65 10.02 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.781 1.232 . . . . 0.0 110.695 -174.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 21.1 ttp180 -51.69 -45.82 63.64 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 120.796 -1.19 . . . . 0.0 114.076 -174.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 2.0 ppp? -72.02 -19.21 61.89 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 120.633 1.56 . . . . 0.0 113.008 177.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -85.49 -13.25 49.68 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 118.145 -0.931 . . . . 0.0 111.2 175.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 67.2 t -113.29 92.07 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 N-CA-C 105.948 -1.871 . . . . 0.0 105.948 -175.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 12.7 pt -109.93 161.71 8.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 -174.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 4.6 mt -108.32 123.63 49.11 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 -171.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.25 137.52 58.11 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 106.014 -1.847 . . . . 0.0 106.014 168.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 3.1 pp -54.56 -36.14 64.02 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -169.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -62.28 -39.6 93.49 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.617 -0.677 . . . . 0.0 109.801 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 42.9 mm-40 -75.98 -45.64 33.74 Favored 'General case' 0 C--O 1.222 -0.353 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 -178.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -60.33 -29.68 69.49 Favored Glycine 0 CA--C 1.524 0.634 0 C-N-CA 123.724 0.678 . . . . 0.0 111.864 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -58.15 -39.93 80.09 Favored 'General case' 0 N--CA 1.464 0.243 0 O-C-N 121.373 -1.075 . . . . 0.0 112.275 173.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -59.97 -21.81 61.71 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 119.029 0.832 . . . . 0.0 111.725 177.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 7.5 mp -96.25 -26.89 15.25 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 124.568 1.147 . . . . 0.0 110.738 178.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 65.2 ttp85 -56.28 -39.31 72.46 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 119.799 1.181 . . . . 0.0 111.718 -177.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -59.29 -20.32 53.42 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 178.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -114.58 -48.87 2.84 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-N 119.893 1.224 . . . . 0.0 111.893 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.1 m-30 -91.49 -9.56 44.01 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.66 1.184 . . . . 0.0 112.34 -169.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -54.44 131.39 46.12 Favored Glycine 0 CA--C 1.527 0.818 0 C-N-CA 125.402 1.477 . . . . 0.0 111.018 177.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.34 -44.78 82.32 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 118.53 1.165 . . . . 0.0 109.784 174.543 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.272 0 CA-C-O 118.087 -1.396 . . . . 0.0 109.918 -173.583 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 363' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 . . . . . 0 N--CA 1.496 1.858 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -69.64 -45.8 67.63 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.837 -0.539 . . . . 0.0 110.132 178.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 365' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -161.25 168.52 23.93 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.232 1.813 . . . . 0.0 107.731 177.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 366' ' ' SER . . . . . . . . . . . . . 68.5 m -68.68 179.46 1.73 Allowed 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.107 0.563 . . . . 0.0 110.901 169.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 5.4 m -55.52 -25.99 40.44 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.596 1.158 . . . . 0.0 113.604 178.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 368' ' ' HIS . . . . . . . . . . . . . 3.1 t60 49.79 -96.77 0.04 OUTLIER 'General case' 0 C--N 1.342 0.263 0 C-N-CA 126.75 2.02 . . . . 0.0 110.749 -169.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 34.9 tp -160.53 151.36 18.7 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 119.241 0.928 . . . . 0.0 109.246 -170.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 370' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.536 0 N-CA-C 104.643 -2.354 . . . . 0.0 104.643 168.608 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 371' ' ' SER . . . . . . . . . . . . . 2.3 p -103.37 19.94 18.75 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.188 0.995 . . . . 0.0 111.4 -169.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 372' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -59.86 159.45 9.0 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 107.942 -1.132 . . . . 0.0 107.942 169.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 373' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -54.34 -38.84 66.49 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.644 -0.66 . . . . 0.0 112.584 -174.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 374' ' ' GLY . . . . . . . . . . . . . . . -89.5 -7.0 69.85 Favored Glycine 0 CA--C 1.531 1.041 0 CA-C-O 119.487 -0.619 . . . . 0.0 113.881 -178.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 47.76 40.91 13.19 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.925 1.69 . . . . 0.0 111.752 -169.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 29.4 p -149.49 168.21 24.1 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.114 1.366 . . . . 0.0 110.109 -175.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 99.4 m . . . . . 0 C--O 1.255 1.367 0 N-CA-C 105.513 -2.032 . . . . 0.0 105.513 173.833 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.734 0 N-CA-C 111.786 -0.526 . . . . 0.0 111.786 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -150.08 166.89 28.39 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 124.71 1.204 . . . . 0.0 109.028 178.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 97.6 mmm -63.7 152.38 39.3 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.205 1.002 . . . . 0.0 109.962 173.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 63.3 t30 -66.85 159.27 28.54 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.884 -0.143 . . . . 0.0 110.621 172.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 16.5 m -67.73 85.95 0.21 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.035 1.334 . . . . 0.0 110.112 174.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 91.4 m-85 69.45 -62.06 0.42 Allowed 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 127.871 2.468 . . . . 0.0 113.977 170.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 6.7 t -58.36 115.85 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 C-N-CA 125.382 1.473 . . . . 0.0 108.602 -174.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 111.76 -19.87 23.02 Favored Glycine 0 CA--C 1.532 1.11 0 C-N-CA 125.279 1.418 . . . . 0.0 112.807 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 9.7 mp -75.6 137.68 40.94 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 118.932 1.366 . . . . 0.0 110.465 -172.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 54.2 mtm180 -77.25 126.86 31.62 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 106.318 -1.734 . . . . 0.0 106.318 168.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 19.7 m -147.49 -175.81 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 125.627 1.571 . . . . 0.0 107.674 -172.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 3.5 t -122.13 144.22 32.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 106.044 -1.835 . . . . 0.0 106.044 171.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -146.79 152.88 39.48 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 124.46 1.104 . . . . 0.0 109.033 -169.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 77.7 tttt -83.83 129.74 34.93 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 179.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 23.2 t-105 -73.19 137.96 45.38 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 169.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 1.4 m -63.31 -21.15 66.08 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 118.162 2.653 . . . . 0.0 118.162 -168.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 9.2 m -76.97 47.59 0.54 Allowed 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 121.382 1.901 . . . . 0.0 111.678 177.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 66.0 t30 44.78 44.4 7.63 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.223 1.809 . . . . 0.0 111.316 -169.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -89.69 -178.26 45.17 Favored Glycine 0 C--N 1.341 0.812 0 CA-C-O 122.302 0.946 . . . . 0.0 113.679 -169.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 9.7 m-30 -72.57 168.61 18.26 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 125.778 1.631 . . . . 0.0 109.489 169.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 2.2 m-30 -94.16 108.21 20.09 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 105.533 -2.025 . . . . 0.0 105.533 -174.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -98.66 155.5 17.29 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.51 1.124 . . . . 0.0 108.311 -176.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 14.8 m -78.89 148.7 32.65 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.975 -0.453 . . . . 0.0 110.323 178.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -170.97 -179.5 42.2 Favored Glycine 0 CA--C 1.522 0.499 0 O-C-N 122.012 -0.43 . . . . 0.0 112.16 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.57 137.23 52.14 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 106.554 -1.647 . . . . 0.0 106.554 178.005 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 15.1 mt -72.02 135.7 27.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 106.428 -1.693 . . . . 0.0 106.428 173.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 60.7 p -111.24 -37.7 5.23 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 123.061 0.544 . . . . 0.0 110.877 -170.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -165.12 142.0 5.81 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.715 0.806 . . . . 0.0 111.058 174.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 7.3 t70 -69.31 102.27 1.69 Allowed 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.943 1.297 . . . . 0.0 108.086 169.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -65.35 -49.67 77.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 -175.585 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 145.96 164.94 11.15 Favored Glycine 0 C--N 1.34 0.803 0 N-CA-C 109.894 -1.282 . . . . 0.0 109.894 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 59.24 7.22 0.85 Allowed 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 114.951 1.463 . . . . 0.0 114.951 178.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 105.65 -7.53 42.46 Favored Glycine 0 C--O 1.22 -0.726 0 C-N-CA 124.487 1.041 . . . . 0.0 111.443 -173.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -75.45 137.44 40.96 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 120.099 1.949 . . . . 0.0 107.65 169.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -127.66 139.63 52.6 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 104.614 -2.365 . . . . 0.0 104.614 169.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 12.7 ttpp -86.2 141.54 29.25 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 178.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.2 mm? -125.06 118.98 27.38 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -169.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 38.1 tp -82.37 92.67 7.04 Favored 'General case' 0 CA--C 1.511 -0.528 0 N-CA-C 103.868 -2.641 . . . . 0.0 103.868 169.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -56.95 146.11 27.92 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 170.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -65.05 -19.33 65.94 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -169.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 36.6 p-10 -79.24 -0.75 33.42 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.145 1.378 . . . . 0.0 113.283 173.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 108.75 -5.82 32.9 Favored Glycine 0 CA--C 1.532 1.107 0 C-N-CA 125.497 1.522 . . . . 0.0 114.298 169.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -80.2 155.38 27.41 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 118.114 0.957 . . . . 0.0 110.362 -174.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -139.7 122.26 16.25 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 124.599 1.16 . . . . 0.0 109.13 176.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 99.9 m -141.09 162.93 34.32 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 125.595 1.558 . . . . 0.0 107.614 170.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -74.52 142.66 44.77 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 170.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 96.4 t -139.38 135.95 40.84 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.237 0 N-CA-C 106.902 -1.518 . . . . 0.0 106.902 172.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 7.7 mt -72.81 149.78 43.32 Favored 'General case' 0 C--O 1.218 -0.554 0 C-N-CA 123.381 0.672 . . . . 0.0 111.284 178.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -57.99 -34.04 70.97 Favored Glycine 0 CA--C 1.522 0.52 0 CA-C-O 119.434 -0.648 . . . . 0.0 113.621 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1530 ' ' LYS . . . . . . . . . . . . 0.25 0.0 OUTLIER -71.39 8.43 1.05 Allowed 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 118.66 1.23 . . . . 0.0 112.919 172.477 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -129.76 22.85 5.4 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.209 1.803 . . . . 0.0 111.792 175.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 1.9 mt -132.06 140.72 47.25 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 O-C-N 120.625 -1.297 . . . . 0.0 107.881 176.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 73.5 mt -119.96 117.71 28.77 Favored 'General case' 0 C--O 1.227 -0.087 0 C-N-CA 127.783 2.433 . . . . 0.0 104.562 -178.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.15 -4.16 13.83 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 116.712 2.116 . . . . 0.0 116.712 -169.289 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 24.8 p -131.62 51.83 2.11 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 105.72 -1.956 . . . . 0.0 105.72 -178.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 50.2 t0 -117.82 59.87 3.23 Favored Pre-proline 0 CA--C 1.538 0.486 0 N-CA-C 116.326 1.973 . . . . 0.0 116.326 -168.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -70.8 120.82 7.36 Favored 'Trans proline' 0 CA--C 1.543 0.973 1 N-CA-C 100.198 -4.578 . . . . 0.0 100.198 165.656 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 11.5 mm -59.14 123.41 69.42 Favored Pre-proline 0 CA--C 1.537 0.471 0 CA-C-N 119.065 0.848 . . . . 0.0 109.24 -168.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -60.4 143.87 99.49 Favored 'Trans proline' 0 N--CA 1.449 -1.099 0 C-N-CA 121.939 1.76 . . . . 0.0 110.311 177.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 4.1 mp -59.44 147.82 35.09 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 169.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 23.0 t70 75.96 -5.93 2.08 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 127.343 2.257 . . . . 0.0 113.5 -175.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 19.0 m -68.93 135.8 51.57 Favored 'General case' 0 C--N 1.343 0.318 0 O-C-N 120.835 -1.166 . . . . 0.0 108.243 170.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -78.5 138.44 38.43 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 170.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 1.8 m -146.46 160.65 10.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 C-N-CA 124.546 1.138 . . . . 0.0 109.572 -175.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 8.8 m -90.23 132.35 35.55 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 105.563 -2.014 . . . . 0.0 105.563 169.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -100.68 146.26 27.41 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 169.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 3.9 mt -138.45 102.92 4.75 Favored 'General case' 0 CA--C 1.511 -0.539 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 -179.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 1.3 m -61.66 139.19 58.32 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 105.18 -2.156 . . . . 0.0 105.18 168.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -49.7 14.72 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.851 1 C-N-CA 132.118 4.167 . . . . 0.0 119.728 -168.653 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 26.9 t70 -119.93 -70.79 0.77 Allowed 'General case' 0 C--O 1.233 0.23 0 CA-C-N 119.741 1.155 . . . . 0.0 109.285 171.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -162.57 25.55 0.1 Allowed 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 119.205 0.911 . . . . 0.0 113.125 170.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -84.16 73.42 10.42 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 120.743 -1.223 . . . . 0.0 109.783 -174.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 18.4 t80 -60.38 128.89 38.92 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 125.723 1.609 . . . . 0.0 110.328 171.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 2.9 p -152.66 177.63 10.47 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.323 1.849 . . . . 0.0 108.121 169.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -139.84 157.36 45.84 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 120.684 1.584 . . . . 0.0 111.699 173.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -172.84 -160.15 20.86 Favored Glycine 0 CA--C 1.525 0.705 0 C-N-CA 126.402 1.953 . . . . 0.0 108.82 -172.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.0 t -131.1 142.64 43.02 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.378 0 CA-C-N 118.612 1.206 . . . . 0.0 109.085 -173.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 79.3 t -64.69 125.81 22.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 172.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 83.0 mttt -130.56 19.66 5.19 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 119.304 0.956 . . . . 0.0 111.72 170.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 177.11 179.59 47.54 Favored Glycine 0 CA--C 1.525 0.702 0 O-C-N 121.778 -0.576 . . . . 0.0 111.956 170.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 8.5 m80 -142.67 153.56 43.52 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 126.295 1.838 . . . . 0.0 111.221 -171.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -148.64 162.62 39.34 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 125.617 1.567 . . . . 0.0 107.347 170.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -129.88 127.87 41.07 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 106.405 -1.702 . . . . 0.0 106.405 169.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -150.47 141.37 22.88 Favored 'General case' 0 CA--C 1.522 -0.134 0 N-CA-C 107.791 -1.188 . . . . 0.0 107.791 -175.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 24.4 m 50.99 30.35 5.25 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.144 0.978 . . . . 0.0 113.371 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 67.92 32.07 76.64 Favored Glycine 0 CA--C 1.531 1.033 0 CA-C-O 119.436 -0.646 . . . . 0.0 112.182 -178.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -143.95 154.25 43.11 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 118.878 1.339 . . . . 0.0 107.873 -178.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 33.9 tp -93.01 140.27 29.65 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 124.257 1.023 . . . . 0.0 109.807 -169.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -129.97 158.22 40.17 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 125.657 1.583 . . . . 0.0 108.745 -176.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -141.15 130.21 23.31 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 -173.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.55 95.55 10.08 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 104.955 -2.239 . . . . 0.0 104.955 169.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 38.2 mm -78.32 128.05 38.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 N-CA-C 106.405 -1.702 . . . . 0.0 106.405 178.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -84.45 119.8 25.56 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 103.656 -2.72 . . . . 0.0 103.656 168.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 23.9 ttpt -142.2 132.75 25.28 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 105.027 -2.212 . . . . 0.0 105.027 -170.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 51.94 28.05 4.86 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.543 0.737 . . . . 0.0 112.719 -174.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 78.43 18.91 75.11 Favored Glycine 0 CA--C 1.531 1.051 0 CA-C-O 119.263 -0.743 . . . . 0.0 113.116 176.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -135.69 147.68 48.6 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 118.461 1.13 . . . . 0.0 108.745 175.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -82.75 138.35 34.07 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 176.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -142.46 130.71 22.14 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 106.173 -1.788 . . . . 0.0 106.173 -173.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 87.7 m95 -80.41 129.34 34.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 118.507 0.594 . . . . 0.0 109.444 178.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -131.51 161.55 32.32 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.986 1.314 . . . . 0.0 107.972 169.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -104.8 166.69 10.22 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.892 1.277 . . . . 0.0 110.097 -176.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 19.1 ttp180 -50.64 -44.67 57.51 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 -177.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 2.2 ppp? -74.38 -18.15 60.71 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 121.735 2.061 . . . . 0.0 113.173 177.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -86.49 -8.3 57.69 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 118.311 -0.852 . . . . 0.0 111.174 174.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 92.2 t -119.57 97.21 4.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 -177.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 9.6 pt -113.91 164.41 10.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 -173.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 10.1 mt -110.41 124.82 52.44 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 -175.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.44 143.58 39.81 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 169.303 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 3.3 pp -56.88 -34.08 67.51 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.288 0.949 . . . . 0.0 112.3 -169.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -67.07 -36.17 81.42 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.944 -0.472 . . . . 0.0 110.424 179.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -69.27 -50.08 50.15 Favored 'General case' 0 C--O 1.225 -0.229 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 175.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -56.68 -32.99 62.17 Favored Glycine 0 C--N 1.337 0.625 0 C-N-CA 123.725 0.679 . . . . 0.0 112.503 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -59.37 -43.49 92.87 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 118.235 1.017 . . . . 0.0 111.53 175.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 -64.91 -12.18 46.31 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.766 0.827 . . . . 0.0 111.702 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 9.1 mp -103.94 -23.41 13.36 Favored 'General case' 0 C--N 1.343 0.295 0 C-N-CA 124.881 1.272 . . . . 0.0 111.329 176.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 51.2 mtm180 -55.95 -38.63 70.61 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 121.24 1.836 . . . . 0.0 111.067 178.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -57.87 -22.32 47.57 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-O 118.057 -0.973 . . . . 0.0 113.334 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -116.74 -47.68 2.7 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-N 120.013 1.279 . . . . 0.0 112.468 176.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.0 m-30 -93.38 -7.72 43.87 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 124.057 0.943 . . . . 0.0 112.17 -169.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -57.93 131.27 51.97 Favored Glycine 0 CA--C 1.523 0.591 0 C-N-CA 124.938 1.256 . . . . 0.0 110.551 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.05 -48.8 69.87 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 173.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.258 0 CA-C-N 113.737 -1.574 . . . . 0.0 110.264 -169.397 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 363' ' ' ARG . . . . . . . . . . . . . 9.5 ptt-85 . . . . . 0 N--CA 1.495 1.814 0 CA-C-O 120.363 0.125 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -69.24 128.58 37.12 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 169.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 365' ' ' HIS . . . . . . . . . . . . . 19.3 t60 58.18 167.95 0.05 OUTLIER 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 128.031 2.533 . . . . 0.0 115.842 172.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 366' ' ' SER . . . . . . . . . . . . . 68.3 m -73.62 -172.08 1.16 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.385 1.474 . . . . 0.0 110.596 169.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 19.0 m -63.8 -24.26 67.68 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 120.678 -1.264 . . . . 0.0 112.665 171.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 368' ' ' HIS . . . . . . . . . . . . . 10.1 t60 58.59 -72.62 0.02 OUTLIER 'General case' 0 C--O 1.226 -0.149 0 C-N-CA 127.47 2.308 . . . . 0.0 112.026 -169.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 369' ' ' LEU . . . . . 0.422 ' C ' ' H ' ' B' ' 371' ' ' SER . 49.0 tp -165.3 -69.15 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 119.222 0.919 . . . . 0.0 110.804 -170.452 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 370' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.572 0 C-N-CA 128.919 2.888 . . . . 0.0 115.441 -173.849 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 371' ' ' SER . . . . . 0.422 ' H ' ' C ' ' B' ' 369' ' ' LEU . 74.2 m 53.92 13.56 0.56 Allowed 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 128.839 2.856 . . . . 0.0 114.749 175.234 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 372' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -65.79 -28.79 69.28 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 121.669 -0.644 . . . . 0.0 112.295 -177.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 373' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -138.45 23.02 2.73 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.334 1.054 . . . . 0.0 111.912 178.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 374' ' ' GLY . . . . . . . . . . . . . . . 60.59 -152.2 38.92 Favored Glycine 0 CA--C 1.534 1.224 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -172.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -145.2 150.29 36.45 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 125.435 1.494 . . . . 0.0 107.054 173.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 14.4 m -60.99 152.31 28.18 Favored 'General case' 0 C--O 1.241 0.655 0 C-N-CA 124.321 1.048 . . . . 0.0 111.65 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 4.7 m . . . . . 0 C--O 1.253 1.249 0 C-N-CA 124.529 1.131 . . . . 0.0 109.376 172.344 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.514 0 N-CA-C 111.396 -0.682 . . . . 0.0 111.396 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -78.47 -19.84 52.23 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 -176.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 90.7 mmm -62.86 145.46 55.02 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 118.347 0.521 . . . . 0.0 110.214 178.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -152.94 158.86 42.72 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 126.125 1.77 . . . . 0.0 107.618 178.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 16.9 m -55.53 100.78 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.654 1.182 . . . . 0.0 110.766 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 93.8 m-85 66.17 -62.53 0.26 Allowed 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 127.9 2.48 . . . . 0.0 113.663 176.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 3.7 t -56.67 116.0 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 C-N-CA 125.473 1.509 . . . . 0.0 109.026 -175.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 113.09 -22.76 15.29 Favored Glycine 0 CA--C 1.532 1.119 0 C-N-CA 125.398 1.475 . . . . 0.0 113.332 179.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 9.0 mp -74.74 138.5 42.76 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 118.697 1.249 . . . . 0.0 110.938 -172.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 9.9 mtm180 -78.1 127.17 31.9 Favored 'General case' 0 N--CA 1.462 0.157 0 N-CA-C 105.668 -1.975 . . . . 0.0 105.668 168.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 18.7 m -142.91 -174.72 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 C-N-CA 125.417 1.487 . . . . 0.0 107.535 -176.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 3.4 t -120.38 144.87 27.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 104.672 -2.344 . . . . 0.0 104.672 169.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -145.43 151.23 37.9 Favored 'General case' 0 CA--C 1.516 -0.333 0 C-N-CA 124.498 1.119 . . . . 0.0 109.028 -169.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 73.0 tttt -83.08 128.27 34.33 Favored 'General case' 0 CA--C 1.511 -0.557 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 -178.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 24.3 t-105 -71.2 133.39 46.1 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 169.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 1.3 m -61.67 -19.33 62.2 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 118.1 2.63 . . . . 0.0 118.1 -168.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 9.3 m -76.91 46.58 0.47 Allowed 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 121.365 1.893 . . . . 0.0 111.454 176.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 62.9 t30 44.47 44.64 7.17 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.427 1.891 . . . . 0.0 111.55 -169.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -94.32 -172.45 38.41 Favored Glycine 0 C--N 1.339 0.724 0 CA-C-O 121.988 0.771 . . . . 0.0 113.255 -170.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1500 ' ' TYR . . . . . 0.411 ' CG ' ' HA ' ' A' 1589 ' ' SER . 12.8 m-30 -72.61 168.86 17.76 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 125.635 1.574 . . . . 0.0 110.776 174.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -86.6 109.89 19.45 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 173.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -101.05 150.23 23.12 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 124.792 1.237 . . . . 0.0 108.145 179.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 11.2 m -72.92 144.29 47.38 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.381 0.672 . . . . 0.0 109.757 178.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -169.39 -178.09 40.42 Favored Glycine 0 C--N 1.335 0.499 0 O-C-N 121.932 -0.48 . . . . 0.0 111.973 -176.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 38.6 mtmt -127.17 129.45 47.89 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 106.384 -1.71 . . . . 0.0 106.384 -172.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 20.1 mt -73.13 129.4 36.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 59.9 p -104.79 -36.24 7.47 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 123.017 0.527 . . . . 0.0 110.516 -171.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -168.08 141.91 3.34 Favored 'General case' 0 C--N 1.344 0.354 0 C-N-CA 124.113 0.965 . . . . 0.0 111.293 176.065 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 7.6 t70 -69.38 103.63 2.05 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 168.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.5 t -64.95 -50.84 73.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 C-N-CA 123.446 0.698 . . . . 0.0 109.454 -176.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 148.66 163.2 10.71 Favored Glycine 0 C--N 1.341 0.845 0 N-CA-C 109.741 -1.343 . . . . 0.0 109.741 178.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.13 11.06 0.69 Allowed 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 115.229 1.566 . . . . 0.0 115.229 177.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 104.26 -6.21 46.11 Favored Glycine 0 CA--C 1.525 0.691 0 C-N-CA 124.892 1.234 . . . . 0.0 111.585 -176.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 10.9 mtpp -74.94 136.27 41.38 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 120.156 1.978 . . . . 0.0 107.27 170.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -126.06 138.04 53.68 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 105.309 -2.108 . . . . 0.0 105.309 169.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -84.54 137.65 33.2 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 176.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.2 mm? -124.91 118.47 26.37 Favored 'General case' 0 CA--C 1.513 -0.452 0 C-N-CA 124.918 1.287 . . . . 0.0 108.292 -169.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 41.7 tp -84.03 94.47 8.31 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 105.252 -2.129 . . . . 0.0 105.252 169.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -57.69 148.98 22.94 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 172.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -65.19 -21.71 66.8 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -170.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 30.5 p-10 -79.07 -2.02 38.53 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.242 1.417 . . . . 0.0 113.219 173.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 107.01 -3.49 35.58 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 125.402 1.477 . . . . 0.0 113.799 169.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -79.44 154.56 28.85 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 118.3 1.05 . . . . 0.0 109.53 -175.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -140.68 117.52 11.05 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 -176.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 75.9 m -142.73 163.94 31.46 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 125.347 1.459 . . . . 0.0 107.79 173.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -87.25 143.2 27.39 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 173.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 78.2 t -142.05 137.08 30.27 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.264 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 -177.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.5 mt -73.98 151.11 40.39 Favored 'General case' 0 C--O 1.219 -0.55 0 C-N-CA 123.097 0.559 . . . . 0.0 111.943 178.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -58.14 -36.67 83.21 Favored Glycine 0 C--N 1.336 0.553 0 C-N-CA 124.028 0.823 . . . . 0.0 112.759 -176.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.12 -20.8 60.06 Favored 'General case' 0 C--O 1.222 -0.352 0 O-C-N 121.495 -1.003 . . . . 0.0 112.374 175.566 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -103.47 20.21 18.29 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.433 1.493 . . . . 0.0 112.225 -175.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -131.35 136.91 56.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 N-CA-C 106.748 -1.575 . . . . 0.0 106.748 -177.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 63.3 mt -118.09 110.29 17.46 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 128.119 2.568 . . . . 0.0 104.389 -173.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -107.59 -5.74 17.35 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 116.322 1.971 . . . . 0.0 116.322 -169.217 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 21.6 p -129.36 52.34 1.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 105.546 -2.02 . . . . 0.0 105.546 -177.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 56.2 t0 -118.47 61.28 4.5 Favored Pre-proline 0 C--O 1.238 0.482 0 N-CA-C 115.903 1.816 . . . . 0.0 115.903 -168.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -73.27 123.99 9.15 Favored 'Trans proline' 0 CA--C 1.546 1.113 1 N-CA-C 99.959 -4.67 . . . . 0.0 99.959 165.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 5.4 mm -59.84 120.55 50.94 Favored Pre-proline 0 CA--C 1.543 0.69 0 CA-C-N 119.514 1.052 . . . . 0.0 109.491 -168.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -63.31 143.64 89.57 Favored 'Trans proline' 0 N--CA 1.456 -0.684 0 C-N-CA 121.794 1.663 . . . . 0.0 110.442 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 2.9 mp -57.14 146.46 27.77 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 169.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 5.7 t70 74.54 -3.29 2.6 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 126.905 2.082 . . . . 0.0 113.731 -177.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 21.8 m -69.43 136.13 51.18 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 169.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -82.55 135.94 34.97 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 171.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 2.6 m -146.74 162.94 8.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 124.092 0.957 . . . . 0.0 109.507 -172.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 7.0 m -89.49 134.97 33.86 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 105.87 -1.9 . . . . 0.0 105.87 169.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -105.0 140.46 38.15 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 107.096 -1.446 . . . . 0.0 107.096 173.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -137.55 102.43 4.76 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 124.231 1.013 . . . . 0.0 108.958 -169.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 14.7 m -59.97 132.78 55.0 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 105.853 -1.906 . . . . 0.0 105.853 169.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -43.08 -38.13 2.24 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.054 1.742 . . . . 0.0 115.011 -168.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 31.9 t70 -70.97 -52.03 22.14 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.473 0.579 . . . . 0.0 112.324 -177.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -177.33 -19.79 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 115.273 1.583 . . . . 0.0 115.273 175.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -58.35 121.76 11.62 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 119.529 1.058 . . . . 0.0 111.076 -169.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 2.5 t80 -112.15 133.53 54.24 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 125.06 1.344 . . . . 0.0 110.838 -169.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 4.9 p -151.77 177.46 10.38 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.506 1.522 . . . . 0.0 109.913 172.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -135.59 156.02 49.54 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 119.443 1.02 . . . . 0.0 110.363 169.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.76 -160.46 19.3 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 126.418 1.961 . . . . 0.0 108.402 -172.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.1 t -130.32 143.25 41.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 CA-C-N 118.777 1.289 . . . . 0.0 110.175 -173.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 62.5 t -65.5 126.59 24.93 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 172.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -131.49 13.27 5.0 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 119.348 0.976 . . . . 0.0 111.868 171.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -174.48 170.86 44.04 Favored Glycine 0 C--N 1.339 0.726 0 O-C-N 121.186 -0.947 . . . . 0.0 111.527 172.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 11.0 m80 -133.59 155.03 50.39 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 126.134 1.774 . . . . 0.0 109.333 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 37.1 ttt85 -147.91 159.48 43.82 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 170.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.8 mmtp -128.7 128.83 44.86 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 105.669 -1.974 . . . . 0.0 105.669 169.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -146.58 131.32 17.95 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 107.135 -1.431 . . . . 0.0 107.135 -177.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 23.6 m 49.3 33.56 5.41 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.748 1.219 . . . . 0.0 113.484 178.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 68.9 34.15 76.5 Favored Glycine 0 CA--C 1.533 1.177 0 CA-C-O 119.69 -0.506 . . . . 0.0 112.572 -179.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -135.53 151.67 50.56 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 176.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 42.7 tp -101.92 131.47 48.28 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 125.929 1.692 . . . . 0.0 109.929 -169.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -127.74 156.25 42.72 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 125.548 1.539 . . . . 0.0 109.588 -172.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -138.34 130.5 28.63 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 106.417 -1.697 . . . . 0.0 106.417 -175.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.46 101.67 12.82 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 102.82 -3.03 . . . . 0.0 102.82 168.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 32.4 mm -78.94 124.52 37.42 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 N-CA-C 105.107 -2.183 . . . . 0.0 105.107 172.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -82.78 123.22 29.12 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 104.59 -2.374 . . . . 0.0 104.59 169.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -144.81 138.77 27.32 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 105.046 -2.205 . . . . 0.0 105.046 -176.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 51.59 31.93 8.38 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 119.027 0.831 . . . . 0.0 111.901 -172.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 73.04 16.39 78.46 Favored Glycine 0 CA--C 1.533 1.188 0 CA-C-O 118.448 -1.196 . . . . 0.0 114.099 176.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -141.57 154.59 45.54 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 119.069 1.435 . . . . 0.0 110.01 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 42.6 mtm105 -79.64 144.13 34.06 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 -176.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -140.28 129.23 23.38 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 105.346 -2.094 . . . . 0.0 105.346 172.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 83.8 m95 -79.59 130.29 35.24 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 179.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -131.96 166.8 20.85 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.48 1.512 . . . . 0.0 107.394 169.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 59.6 pttt -115.84 167.52 10.87 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.319 1.048 . . . . 0.0 110.292 -176.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 45.7 ttt180 -51.44 -41.63 60.98 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 -169.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 2.3 ppp? -75.38 -17.28 60.25 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-N 121.705 2.048 . . . . 0.0 113.17 178.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -90.94 -5.75 55.02 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 125.569 1.548 . . . . 0.0 110.941 173.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 61.2 t -120.2 92.78 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 N-CA-C 106.179 -1.785 . . . . 0.0 106.179 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 9.9 pt -112.6 163.19 9.96 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 -172.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 2.9 mt -109.86 115.04 29.1 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 -175.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1589 ' ' SER . . . . . 0.411 ' HA ' ' CG ' ' A' 1500 ' ' TYR . 0.1 OUTLIER -53.26 148.59 8.34 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 169.831 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.3 pp -56.27 -35.58 67.63 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 -168.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -67.02 -37.25 83.8 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 121.46 -0.775 . . . . 0.0 110.383 178.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -66.57 -51.53 55.44 Favored 'General case' 0 C--O 1.225 -0.224 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 178.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -66.64 -25.91 72.89 Favored Glycine 0 C--N 1.339 0.727 0 CA-C-O 119.238 -0.756 . . . . 0.0 111.759 -173.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -56.86 -43.96 81.71 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 118.852 1.326 . . . . 0.0 111.838 172.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 3.6 mtt-85 -62.54 -17.23 59.45 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 179.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.6 mp -97.23 -28.64 13.98 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 124.502 1.121 . . . . 0.0 110.42 175.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 64.2 ttp85 -57.27 -38.98 74.73 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 119.327 0.967 . . . . 0.0 111.5 -176.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -58.06 -22.37 49.86 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 118.197 -0.906 . . . . 0.0 113.394 178.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -114.28 -47.08 2.95 Favored 'General case' 0 C--N 1.348 0.527 0 CA-C-N 119.837 1.199 . . . . 0.0 111.864 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 9.7 m-30 -93.0 -9.71 38.89 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 124.403 1.081 . . . . 0.0 112.273 -170.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -52.39 129.37 36.72 Favored Glycine 0 CA--C 1.524 0.652 0 C-N-CA 125.744 1.64 . . . . 0.0 110.523 176.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.47 -44.94 85.6 Favored 'General case' 0 C--N 1.343 0.302 0 CA-C-N 118.484 1.142 . . . . 0.0 109.176 173.039 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.386 0 N-CA-C 109.253 -1.539 . . . . 0.0 109.253 -175.714 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 363' ' ' ARG . . . . . . . . . . . . . 25.6 tpp180 . . . . . 0 N--CA 1.494 1.765 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -66.57 -46.37 76.21 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 118.125 0.421 . . . . 0.0 110.959 -177.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 365' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -158.02 170.67 21.79 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 125.117 1.367 . . . . 0.0 108.658 174.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 366' ' ' SER . . . . . . . . . . . . . 39.9 m -61.75 171.52 1.57 Allowed 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.01 0.924 . . . . 0.0 110.247 168.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 5.7 m -58.76 -20.57 50.74 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -175.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 368' ' ' HIS . . . . . . . . . . . . . 20.7 t60 56.71 -78.62 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 127.443 2.297 . . . . 0.0 110.787 -169.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 25.9 tp -156.59 -74.06 0.1 Allowed 'General case' 0 N--CA 1.457 -0.08 0 CA-C-N 119.785 1.175 . . . . 0.0 110.247 -169.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 370' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.344 0.364 0 C-N-CA 125.299 1.44 . . . . 0.0 110.147 -169.709 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 371' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.37 -24.32 1.87 Allowed 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 128.71 2.804 . . . . 0.0 116.054 -169.52 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 372' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -129.99 22.26 5.34 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.681 0.792 . . . . 0.0 112.752 177.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 373' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -130.35 -32.22 1.78 Allowed 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.012 0.925 . . . . 0.0 112.387 176.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 374' ' ' GLY . . . . . . . . . . . . . . . -149.67 16.89 1.1 Allowed Glycine 0 CA--C 1.533 1.209 0 CA-C-N 119.538 1.063 . . . . 0.0 114.563 -177.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -64.92 -31.67 73.02 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.148 1.474 . . . . 0.0 110.801 173.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 18.9 m -145.4 165.78 27.51 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 125.761 1.624 . . . . 0.0 108.982 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 5.2 m . . . . . 0 C--O 1.254 1.322 0 C-N-CA 124.296 1.038 . . . . 0.0 109.624 174.321 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.706 0 N-CA-C 111.51 -0.636 . . . . 0.0 111.51 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -65.77 -32.02 73.33 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 121.891 -0.77 . . . . 0.0 111.699 179.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 21.5 mmt -135.11 170.92 15.17 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 125.629 1.572 . . . . 0.0 109.144 178.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 47.8 t30 -145.2 162.95 35.88 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 125.89 1.676 . . . . 0.0 108.171 179.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 14.5 m -65.55 85.12 0.07 Allowed 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.939 1.296 . . . . 0.0 110.451 176.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 95.8 m-85 69.48 -60.97 0.45 Allowed 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 128.537 2.735 . . . . 0.0 113.964 172.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 16.4 t -59.02 115.0 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 C-N-CA 124.93 1.292 . . . . 0.0 108.748 -175.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 116.1 -23.08 10.91 Favored Glycine 0 CA--C 1.532 1.114 0 C-N-CA 125.33 1.443 . . . . 0.0 112.749 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 10.3 mp -74.79 139.91 43.64 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 118.777 1.288 . . . . 0.0 110.954 -172.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 55.8 mtm180 -79.08 127.78 32.44 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 105.467 -2.049 . . . . 0.0 105.467 168.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 17.0 m -146.49 -172.77 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 C-N-CA 124.752 1.221 . . . . 0.0 107.74 -173.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.1 t -121.08 147.44 24.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 105.782 -1.932 . . . . 0.0 105.782 170.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -146.63 150.37 35.32 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 124.057 0.943 . . . . 0.0 108.594 -170.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 70.3 tttt -83.06 134.03 35.05 Favored 'General case' 0 CA--C 1.512 -0.506 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 177.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 28.3 t-105 -79.78 138.3 37.23 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 169.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 1.4 m -63.41 -20.0 65.17 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 118.201 2.667 . . . . 0.0 118.201 -168.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 14.6 m -76.27 45.56 0.38 Allowed 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 121.168 1.804 . . . . 0.0 111.579 177.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 64.7 t30 45.97 43.58 10.58 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.18 1.792 . . . . 0.0 110.284 -169.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -87.79 -177.16 48.05 Favored Glycine 0 C--N 1.334 0.471 0 CA-C-O 122.402 1.001 . . . . 0.0 113.808 -169.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1500 ' ' TYR . . . . . 0.413 ' CG ' ' HA ' ' A' 1589 ' ' SER . 12.4 m-30 -73.66 168.09 20.05 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 125.509 1.524 . . . . 0.0 110.356 173.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -85.45 107.75 17.56 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 106.686 -1.598 . . . . 0.0 106.686 173.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -99.3 153.79 18.69 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 178.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 6.1 m -67.97 147.32 52.6 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.427 -0.796 . . . . 0.0 110.705 175.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -165.28 -177.64 37.85 Favored Glycine 0 C--N 1.334 0.432 0 CA-C-O 121.728 0.627 . . . . 0.0 111.659 176.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 40.8 mtmt -132.19 126.91 34.69 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 106.105 -1.813 . . . . 0.0 106.105 -173.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 14.2 mt -72.38 133.49 31.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 -177.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 34.5 p -109.75 -30.35 7.9 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 123.354 0.662 . . . . 0.0 109.392 -172.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 13.6 ttt-85 -168.15 149.7 5.2 Favored 'General case' 0 C--N 1.342 0.279 0 C-N-CA 123.01 0.524 . . . . 0.0 112.144 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 7.5 t70 -79.34 110.59 14.77 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 103.553 -2.758 . . . . 0.0 103.553 167.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.6 t -71.38 -50.45 40.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 147.27 163.92 10.86 Favored Glycine 0 C--N 1.34 0.778 0 N-CA-C 109.755 -1.338 . . . . 0.0 109.755 179.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 59.46 7.12 0.91 Allowed 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 115.261 1.578 . . . . 0.0 115.261 177.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 105.33 -6.98 42.88 Favored Glycine 0 CA--C 1.527 0.837 0 C-N-CA 124.502 1.049 . . . . 0.0 111.181 -173.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -75.0 138.47 42.24 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 120.199 1.999 . . . . 0.0 107.975 169.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -127.76 137.04 52.3 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 105.34 -2.096 . . . . 0.0 105.34 169.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -83.52 137.39 33.89 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 177.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.0 mm? -124.62 119.39 28.9 Favored 'General case' 0 CA--C 1.513 -0.479 0 C-N-CA 125.107 1.363 . . . . 0.0 108.693 -169.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 37.4 tp -83.72 95.46 8.41 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 104.1 -2.556 . . . . 0.0 104.1 169.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -58.68 148.86 27.74 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 172.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -68.33 -19.65 64.68 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 112.076 0.398 . . . . 0.0 112.076 -170.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 39.0 p-10 -77.37 -1.96 32.7 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.679 1.192 . . . . 0.0 113.025 171.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 105.47 -3.81 40.06 Favored Glycine 0 CA--C 1.531 1.047 0 C-N-CA 125.629 1.585 . . . . 0.0 113.586 169.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -78.18 158.17 29.12 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.196 0.998 . . . . 0.0 109.53 -176.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -142.4 121.48 12.92 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 -176.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 61.7 m -147.86 166.51 27.38 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 125.578 1.551 . . . . 0.0 107.653 172.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -79.89 144.6 33.26 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 170.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 92.8 t -140.58 139.34 35.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 107.262 -1.385 . . . . 0.0 107.262 174.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.2 mt -76.08 150.46 37.28 Favored 'General case' 0 CA--C 1.511 -0.521 0 C-N-CA 123.036 0.534 . . . . 0.0 111.997 178.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -57.84 -35.13 73.67 Favored Glycine 0 CA--C 1.522 0.473 0 C-N-CA 123.783 0.706 . . . . 0.0 113.42 -177.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.19 -11.21 28.65 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 121.531 -0.982 . . . . 0.0 113.061 174.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -115.36 20.83 14.56 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.156 1.782 . . . . 0.0 111.79 -177.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 1.1 mt -130.81 132.43 64.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 N-CA-C 106.256 -1.757 . . . . 0.0 106.256 178.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 8.3 mp -117.33 120.25 37.62 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 104.132 -2.544 . . . . 0.0 104.132 -175.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.99 -1.37 13.81 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 116.905 2.187 . . . . 0.0 116.905 -168.627 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 24.3 p -132.7 50.42 2.24 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 106.483 -1.673 . . . . 0.0 106.483 -177.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 55.0 t0 -118.35 61.69 4.51 Favored Pre-proline 0 CA--C 1.54 0.574 0 N-CA-C 116.905 2.187 . . . . 0.0 116.905 -168.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -72.39 123.32 9.04 Favored 'Trans proline' 0 CA--C 1.545 1.046 1 N-CA-C 100.848 -4.328 . . . . 0.0 100.848 166.106 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 8.6 mm -60.61 123.65 75.16 Favored Pre-proline 0 CA--C 1.54 0.566 0 CA-C-N 119.839 1.2 . . . . 0.0 109.052 -168.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -63.0 145.3 94.23 Favored 'Trans proline' 0 N--CA 1.454 -0.848 0 C-N-CA 121.92 1.747 . . . . 0.0 110.495 176.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 3.7 mp -58.86 150.73 23.31 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 170.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 22.5 t70 72.68 -5.74 1.79 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 126.3 1.84 . . . . 0.0 113.495 -176.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 23.1 m -68.08 136.46 53.81 Favored 'General case' 0 C--O 1.238 0.485 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 169.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -84.23 136.14 34.06 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 107.377 -1.342 . . . . 0.0 107.377 172.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -146.07 162.54 10.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 C-N-CA 124.847 1.259 . . . . 0.0 108.881 -170.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 5.2 m -88.73 136.17 33.14 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 105.226 -2.139 . . . . 0.0 105.226 169.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -110.78 138.61 46.95 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 175.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.05 109.92 6.74 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 122.955 0.502 . . . . 0.0 111.025 -169.427 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 9.3 m -65.7 121.86 15.95 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 102.634 -3.099 . . . . 0.0 102.634 167.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 51.4 mp0 -47.47 -28.59 2.25 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 126.776 2.03 . . . . 0.0 115.683 -168.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 38.3 t70 -64.09 -46.33 84.74 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.713 0.688 . . . . 0.0 111.698 178.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 174.52 -21.6 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 126.045 1.738 . . . . 0.0 114.238 173.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -59.41 124.5 20.25 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 119.625 1.102 . . . . 0.0 109.631 -169.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 1.3 t80 -120.69 133.27 55.36 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 124.877 1.271 . . . . 0.0 110.413 -169.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 3.7 p -152.18 178.88 9.02 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.581 1.552 . . . . 0.0 109.43 170.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -132.32 157.34 44.71 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 119.809 1.186 . . . . 0.0 111.017 171.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.76 -163.44 24.8 Favored Glycine 0 CA--C 1.526 0.731 0 C-N-CA 126.358 1.932 . . . . 0.0 109.023 -170.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.9 t -130.19 142.78 42.9 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.335 0 CA-C-N 118.803 1.301 . . . . 0.0 109.666 -173.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 70.9 t -65.08 125.16 21.46 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 172.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -129.71 18.57 5.69 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.829 0.852 . . . . 0.0 111.219 173.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 174.68 178.56 44.65 Favored Glycine 0 CA--C 1.522 0.497 0 O-C-N 121.609 -0.682 . . . . 0.0 111.45 171.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 16.3 m80 -142.01 153.99 44.66 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 126.006 1.723 . . . . 0.0 110.899 -171.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -148.33 157.52 43.54 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 125.43 1.492 . . . . 0.0 107.1 171.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -134.15 124.61 26.36 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 106.19 -1.781 . . . . 0.0 106.19 173.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -150.69 138.02 19.49 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 -173.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 20.1 m 50.66 31.43 5.79 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.342 1.057 . . . . 0.0 113.616 178.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 69.02 29.76 72.31 Favored Glycine 0 CA--C 1.529 0.928 0 C-N-CA 123.509 0.576 . . . . 0.0 112.743 -179.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -138.02 148.65 45.33 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 -177.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 38.2 tp -98.77 134.43 41.67 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 124.417 1.087 . . . . 0.0 109.919 -169.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -126.08 157.76 37.15 Favored 'General case' 0 CA--C 1.515 -0.389 0 C-N-CA 125.804 1.642 . . . . 0.0 109.384 -174.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -142.02 129.84 21.73 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 106.872 -1.529 . . . . 0.0 106.872 -173.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.97 97.62 11.06 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 104.877 -2.268 . . . . 0.0 104.877 169.565 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 39.8 mm -80.76 129.98 36.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 106.401 -1.703 . . . . 0.0 106.401 178.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -84.63 118.21 24.23 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 103.538 -2.764 . . . . 0.0 103.538 168.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -144.17 133.51 23.19 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 105.11 -2.182 . . . . 0.0 105.11 -169.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 52.26 34.29 14.36 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.808 0.843 . . . . 0.0 111.722 -169.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 71.32 18.62 76.94 Favored Glycine 0 CA--C 1.533 1.162 0 CA-C-O 119.029 -0.873 . . . . 0.0 113.898 175.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -144.36 155.12 43.65 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 118.575 1.188 . . . . 0.0 109.672 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 71.4 mtp85 -82.06 141.06 33.5 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 121.437 -0.789 . . . . 0.0 109.392 -174.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -146.17 130.03 17.21 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 106.359 -1.719 . . . . 0.0 106.359 -177.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 90.3 m95 -81.08 131.63 35.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 118.906 0.775 . . . . 0.0 110.053 176.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -134.34 164.6 27.04 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.557 1.543 . . . . 0.0 107.029 169.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 60.8 pttt -112.56 167.94 10.05 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 121.191 -0.943 . . . . 0.0 110.995 -178.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 67.0 ttp85 -41.36 -56.81 2.35 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.674 1.19 . . . . 0.0 114.056 -176.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 1.5 ppp? -71.57 -16.96 62.32 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 120.662 1.574 . . . . 0.0 113.83 -178.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -87.91 -6.47 58.04 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.614 1.165 . . . . 0.0 111.622 172.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 72.1 t -120.54 90.53 1.62 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 N-CA-C 105.972 -1.862 . . . . 0.0 105.972 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 13.9 pt -109.8 163.27 6.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -172.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 8.2 mt -106.29 114.01 27.88 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 106.892 -1.521 . . . . 0.0 106.892 -177.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1589 ' ' SER . . . . . 0.413 ' HA ' ' CG ' ' A' 1500 ' ' TYR . 0.4 OUTLIER -53.28 146.95 11.01 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 106.765 -1.568 . . . . 0.0 106.765 169.657 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.3 pp -53.92 -37.69 64.09 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 -168.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -71.16 -35.11 71.52 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.488 -0.757 . . . . 0.0 109.82 -177.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -63.98 -51.77 62.78 Favored 'General case' 0 C--N 1.342 0.257 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 174.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -67.16 -28.07 73.64 Favored Glycine 0 C--N 1.339 0.748 0 CA-C-O 119.195 -0.781 . . . . 0.0 111.648 -171.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -56.68 -43.41 80.44 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 118.577 1.188 . . . . 0.0 111.404 175.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 9.0 mtt-85 -60.96 -19.31 60.83 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 7.3 mp -99.84 -26.69 13.94 Favored 'General case' 0 CA--C 1.527 0.086 0 C-N-CA 124.183 0.993 . . . . 0.0 110.463 177.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -61.76 -36.0 79.76 Favored 'General case' 0 C--O 1.224 -0.259 0 O-C-N 121.253 -0.904 . . . . 0.0 110.407 -175.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -59.33 -20.93 58.57 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 118.227 -0.892 . . . . 0.0 113.283 177.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -113.62 -46.9 3.02 Favored 'General case' 0 C--N 1.347 0.477 0 CA-C-N 119.787 1.176 . . . . 0.0 111.499 179.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 12.6 m-30 -90.59 -17.45 26.92 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.086 0.954 . . . . 0.0 112.386 -169.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -44.38 129.61 7.18 Favored Glycine 0 CA--C 1.53 0.989 0 C-N-CA 126.368 1.937 . . . . 0.0 111.728 170.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.42 -45.31 84.39 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 118.091 0.946 . . . . 0.0 109.239 174.291 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.173 0 O-C-N 125.375 1.672 . . . . 0.0 110.834 -168.884 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 363' ' ' ARG . . . . . . . . . . . . . 17.9 ptt-85 . . . . . 0 N--CA 1.494 1.769 0 N-CA-C 111.733 0.272 . . . . 0.0 111.733 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -68.27 150.37 48.33 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 169.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 365' ' ' HIS . . . . . 0.598 ' CD2' ' H ' ' B' ' 366' ' ' SER . 24.8 t60 46.14 -147.12 0.15 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.319 1.448 . . . . 0.0 111.627 -177.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 366' ' ' SER . . . . . 0.598 ' H ' ' CD2' ' B' ' 365' ' ' HIS . 31.4 m -143.99 -175.9 4.78 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 127.445 2.298 . . . . 0.0 107.566 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 14.0 m -64.02 -22.17 66.81 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 -172.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 368' ' ' HIS . . . . . . . . . . . . . 6.6 t60 44.9 -114.99 0.45 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.025 1.73 . . . . 0.0 110.987 177.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 6.2 tp -156.86 145.57 19.92 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 127.932 2.493 . . . . 0.0 104.725 -174.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 370' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.35 0 CA-C-N 118.996 0.816 . . . . 0.0 112.236 178.292 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 371' ' ' SER . . . . . . . . . . . . . 4.0 p 47.07 23.43 0.29 Allowed 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 128.938 2.895 . . . . 0.0 115.271 174.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 372' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -67.42 162.45 23.04 Favored 'General case' 0 C--O 1.236 0.39 0 O-C-N 121.596 -0.69 . . . . 0.0 109.889 175.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 373' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -56.42 138.19 51.68 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 170.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 374' ' ' GLY . . . . . . . . . . . . . . . 115.48 -21.91 12.43 Favored Glycine 0 CA--C 1.529 0.928 0 C-N-CA 124.245 0.926 . . . . 0.0 111.723 -176.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.85 -50.44 70.93 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 118.579 1.19 . . . . 0.0 109.184 172.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 10.0 m -64.75 151.72 44.44 Favored 'General case' 0 C--O 1.24 0.597 0 C-N-CA 123.475 0.71 . . . . 0.0 111.371 -178.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 5.0 m . . . . . 0 C--O 1.254 1.305 0 C-N-CA 124.541 1.136 . . . . 0.0 109.4 172.4 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.696 0 N-CA-C 111.632 -0.587 . . . . 0.0 111.632 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -151.52 155.89 39.43 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 124.863 1.265 . . . . 0.0 108.591 179.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 73.6 mtm -145.71 152.66 39.95 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 125.513 1.525 . . . . 0.0 108.399 175.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 60.7 t30 -66.66 154.18 41.24 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 174.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 17.2 m -65.78 94.5 0.21 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.619 1.167 . . . . 0.0 110.217 175.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 96.3 m-85 66.12 -59.91 0.31 Allowed 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 128.527 2.731 . . . . 0.0 114.609 172.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 21.9 t -60.8 113.83 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 C-N-CA 124.824 1.249 . . . . 0.0 108.631 -173.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 116.94 -22.56 10.5 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 125.198 1.38 . . . . 0.0 111.965 179.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 10.7 mp -73.34 135.97 44.39 Favored 'General case' 0 C--N 1.341 0.218 0 CA-C-N 118.868 1.334 . . . . 0.0 110.254 -173.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 54.8 mtm180 -74.32 128.29 35.16 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 105.765 -1.939 . . . . 0.0 105.765 168.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 21.3 m -147.64 -175.07 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 125.028 1.331 . . . . 0.0 107.521 -175.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 5.4 t -120.78 148.37 24.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 104.897 -2.261 . . . . 0.0 104.897 169.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -143.95 152.85 41.62 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 -172.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 75.8 tttt -82.87 138.69 33.81 Favored 'General case' 0 CA--C 1.51 -0.583 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 177.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 31.6 t-105 -83.0 82.27 8.31 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 105.533 -2.025 . . . . 0.0 105.533 169.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 14.6 m -56.98 -24.84 56.23 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 -169.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 6.1 m -66.22 -14.22 61.58 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.249 1.02 . . . . 0.0 113.273 178.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 42.1 t30 -148.64 -46.14 0.15 Allowed 'General case' 0 C--N 1.347 0.49 0 CA-C-N 120.002 1.274 . . . . 0.0 113.778 172.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . 149.49 174.54 21.0 Favored Glycine 0 C--N 1.34 0.76 0 CA-C-N 118.821 0.737 . . . . 0.0 112.354 -179.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 4.3 m-30 72.93 160.65 0.23 Allowed 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 128.783 2.833 . . . . 0.0 111.585 176.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -112.57 118.05 34.03 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 124.803 1.241 . . . . 0.0 107.737 -174.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -114.95 152.69 31.92 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.513 1.125 . . . . 0.0 107.967 -176.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 4.5 m -69.94 148.84 48.44 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 123.378 0.671 . . . . 0.0 110.622 177.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -169.53 -176.44 39.39 Favored Glycine 0 C--N 1.334 0.457 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 175.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.34 141.96 51.44 Favored 'General case' 0 CA--C 1.514 -0.441 0 N-CA-C 106.904 -1.517 . . . . 0.0 106.904 172.578 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 6.6 mt -70.14 135.04 29.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 106.601 -1.629 . . . . 0.0 106.601 175.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 47.6 p -110.89 -29.91 7.75 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 -173.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 13.8 ttt-85 -166.32 151.49 8.21 Favored 'General case' 0 CA--C 1.517 -0.316 0 C-N-CA 123.11 0.564 . . . . 0.0 112.081 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 6.4 t70 -81.05 110.37 16.51 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 103.105 -2.924 . . . . 0.0 103.105 167.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.4 t -70.98 -49.98 45.91 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 147.99 163.99 11.06 Favored Glycine 0 C--N 1.338 0.688 0 N-CA-C 109.901 -1.28 . . . . 0.0 109.901 177.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 60.36 4.31 0.67 Allowed 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 115.597 1.703 . . . . 0.0 115.597 176.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 109.25 -8.04 32.84 Favored Glycine 0 CA--C 1.524 0.632 0 C-N-CA 124.733 1.159 . . . . 0.0 111.164 -172.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -75.1 138.54 42.16 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 120.386 2.093 . . . . 0.0 107.957 169.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -127.87 138.02 52.54 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 105.36 -2.089 . . . . 0.0 105.36 169.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -85.02 138.45 32.44 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 177.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.0 mm? -124.95 119.48 28.87 Favored 'General case' 0 CA--C 1.515 -0.38 0 C-N-CA 124.799 1.24 . . . . 0.0 108.85 -169.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 38.1 tp -84.67 97.47 9.66 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 105.366 -2.087 . . . . 0.0 105.366 169.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -62.81 149.12 44.97 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 172.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -67.54 -21.98 65.44 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -172.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 20.6 p-10 -76.33 -0.08 21.29 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.272 1.029 . . . . 0.0 112.966 171.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 105.53 -5.63 40.98 Favored Glycine 0 CA--C 1.528 0.889 0 C-N-CA 125.999 1.762 . . . . 0.0 114.115 168.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -78.37 156.28 29.59 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 117.985 0.892 . . . . 0.0 109.77 -174.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -140.83 121.14 13.94 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 66.2 m -146.19 166.96 24.67 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 125.491 1.517 . . . . 0.0 108.034 171.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -81.84 143.87 31.43 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 172.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 81.6 t -140.89 139.05 34.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 106.792 -1.558 . . . . 0.0 106.792 176.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.8 mt -75.94 151.84 37.2 Favored 'General case' 0 CA--C 1.51 -0.595 0 O-C-N 121.801 -0.562 . . . . 0.0 110.895 178.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -53.81 -35.14 52.27 Favored Glycine 0 CA--C 1.524 0.605 0 C-N-CA 124.524 1.059 . . . . 0.0 113.287 179.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -23.48 62.69 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 122.161 -0.611 . . . . 0.0 111.293 177.032 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -109.87 20.68 17.75 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 125.725 1.61 . . . . 0.0 111.522 -171.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -129.14 137.79 56.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 N-CA-C 106.076 -1.824 . . . . 0.0 106.076 178.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 51.3 mt -121.74 112.56 18.55 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 104.006 -2.591 . . . . 0.0 104.006 -171.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.94 -1.56 16.36 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 116.535 2.05 . . . . 0.0 116.535 -168.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 25.1 p -130.98 50.99 2.18 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 106.451 -1.685 . . . . 0.0 106.451 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -89.95 10.12 0.04 OUTLIER Pre-proline 0 CA--C 1.542 0.646 2 C-N-CA 133.018 4.527 . . . . 0.0 121.918 -169.336 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -53.49 114.69 1.87 Allowed 'Trans proline' 0 C--N 1.353 0.803 0 CA-C-N 125.715 3.077 . . . . 0.0 107.095 169.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 9.1 mm -61.26 122.13 67.95 Favored Pre-proline 0 CA--C 1.537 0.446 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 -168.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 17.2 Cg_endo -65.6 142.7 72.14 Favored 'Trans proline' 0 N--CA 1.452 -0.917 0 C-N-CA 121.49 1.46 . . . . 0.0 109.844 176.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 4.7 mp -59.35 148.53 32.05 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 177.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 25.8 t70 78.27 -7.74 1.76 Allowed 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 127.59 2.356 . . . . 0.0 113.332 -174.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 28.9 m -69.31 140.25 54.35 Favored 'General case' 0 C--O 1.236 0.359 0 O-C-N 121.048 -1.033 . . . . 0.0 108.896 171.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -81.87 139.74 34.52 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 174.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 1.4 m -146.01 159.45 11.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 124.554 1.142 . . . . 0.0 109.419 -175.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 2.2 m -89.22 133.24 34.51 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 104.725 -2.324 . . . . 0.0 104.725 169.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -105.96 139.38 40.59 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 174.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.72 107.87 5.76 Favored 'General case' 0 CA--C 1.514 -0.433 0 C-N-CA 123.426 0.691 . . . . 0.0 110.614 -169.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 13.7 m -62.19 132.85 54.12 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 104.747 -2.316 . . . . 0.0 104.747 168.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -49.79 -26.14 3.66 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 115.791 1.774 . . . . 0.0 115.791 -168.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 20.7 t70 -75.62 -46.92 28.83 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 119.014 0.825 . . . . 0.0 111.825 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 178.47 -24.01 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 177.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -57.64 120.88 9.11 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 119.14 0.882 . . . . 0.0 109.982 -169.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 2.3 t80 -116.89 130.81 56.94 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 125.456 1.502 . . . . 0.0 110.089 -168.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 1.6 p -152.14 178.52 9.39 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.032 1.733 . . . . 0.0 109.141 174.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -136.99 157.38 46.86 Favored 'General case' 0 N--CA 1.466 0.36 0 O-C-N 120.401 -1.437 . . . . 0.0 111.077 173.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -169.23 -160.98 18.69 Favored Glycine 0 CA--C 1.527 0.818 0 C-N-CA 126.184 1.849 . . . . 0.0 108.953 -171.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.1 t -130.65 143.56 40.56 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.31 0 CA-C-N 118.546 1.173 . . . . 0.0 109.147 -175.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 93.7 t -66.38 125.78 24.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 173.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 85.5 mttt -132.0 22.99 4.54 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.027 0.83 . . . . 0.0 111.904 169.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 176.58 178.78 46.62 Favored Glycine 0 CA--C 1.524 0.654 0 O-C-N 121.578 -0.701 . . . . 0.0 111.685 169.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 10.1 m80 -142.85 152.87 42.61 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 126.456 1.902 . . . . 0.0 111.086 -171.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 45.5 ttt180 -148.21 162.57 39.2 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 125.46 1.504 . . . . 0.0 107.247 170.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 4.0 mmmm -128.92 128.48 43.86 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 169.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -150.59 142.24 23.61 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 -176.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 25.3 m 50.86 30.33 5.08 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.079 0.952 . . . . 0.0 113.174 -178.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 67.6 31.39 76.21 Favored Glycine 0 CA--C 1.528 0.903 0 CA-C-O 119.167 -0.796 . . . . 0.0 112.614 -177.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -143.79 157.21 44.54 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 119.174 1.487 . . . . 0.0 107.824 -178.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 28.9 tp -92.5 139.5 30.52 Favored 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 124.596 1.158 . . . . 0.0 110.433 -169.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -128.99 159.78 34.82 Favored 'General case' 0 CA--C 1.517 -0.291 0 C-N-CA 126.063 1.745 . . . . 0.0 108.534 -178.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -141.88 137.05 31.09 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 107.243 -1.391 . . . . 0.0 107.243 -174.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.25 98.85 11.53 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 104.477 -2.416 . . . . 0.0 104.477 169.177 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 33.1 mm -79.35 128.11 38.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 178.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -84.0 120.78 26.53 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 102.922 -2.992 . . . . 0.0 102.922 168.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 24.2 ttpt -142.41 135.09 28.19 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 104.942 -2.244 . . . . 0.0 104.942 -171.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 54.64 25.62 6.58 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.264 0.625 . . . . 0.0 112.24 -173.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 80.96 14.07 80.11 Favored Glycine 0 C--N 1.343 0.96 0 CA-C-O 119.043 -0.865 . . . . 0.0 113.452 176.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -140.87 155.28 46.35 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 118.645 1.223 . . . . 0.0 110.107 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 58.7 mtp85 -80.51 141.66 34.94 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.725 -0.61 . . . . 0.0 109.716 -175.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -145.57 130.38 18.13 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 88.7 m95 -81.33 132.2 35.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 118.978 0.808 . . . . 0.0 110.284 176.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -134.08 164.24 27.77 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.012 1.325 . . . . 0.0 108.039 169.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -104.47 168.65 8.95 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.089 1.356 . . . . 0.0 110.239 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 14.1 ttp180 -49.28 -53.96 19.23 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 120.094 1.315 . . . . 0.0 113.66 -178.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 1.6 ppp? -70.06 -13.32 62.16 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 121.385 1.902 . . . . 0.0 113.492 -179.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -92.36 -4.75 53.4 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.991 1.317 . . . . 0.0 111.48 172.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 83.2 t -120.99 90.46 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 N-CA-C 106.204 -1.776 . . . . 0.0 106.204 176.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 10.3 pt -106.8 175.65 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.689 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 -176.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 6.5 mt -124.63 121.81 35.77 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -175.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 4.7 m -58.99 158.11 8.96 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 169.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 1.9 pp -54.89 -43.18 72.98 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 121.269 -0.894 . . . . 0.0 113.392 -169.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -67.76 -42.04 82.39 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 121.509 -0.745 . . . . 0.0 109.595 -178.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -60.08 -41.07 91.64 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.122 0.969 . . . . 0.0 109.948 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -70.67 -32.9 67.01 Favored Glycine 0 C--N 1.341 0.831 0 O-C-N 121.981 -0.45 . . . . 0.0 112.451 178.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -64.9 -38.98 92.79 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.936 0.895 . . . . 0.0 111.492 -178.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -54.1 -23.28 13.35 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 118.512 0.596 . . . . 0.0 112.083 174.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 11.8 mt -95.19 -31.31 13.57 Favored 'General case' 0 C--O 1.225 -0.213 0 C-N-CA 125.206 1.402 . . . . 0.0 111.207 -178.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 9.5 ttm-85 -57.56 -37.39 73.04 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.474 -0.766 . . . . 0.0 111.811 -171.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -57.09 -22.1 36.93 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.798 0.839 . . . . 0.0 113.131 177.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -115.4 -44.67 2.97 Favored 'General case' 0 C--N 1.346 0.451 0 CA-C-N 119.659 1.118 . . . . 0.0 112.665 177.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 6.6 m-30 -92.75 -10.47 36.89 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 123.594 0.758 . . . . 0.0 112.768 -169.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -54.84 130.23 46.21 Favored Glycine 0 CA--C 1.528 0.874 0 C-N-CA 125.627 1.584 . . . . 0.0 110.361 177.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.38 -44.19 88.34 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 118.438 1.119 . . . . 0.0 109.218 173.425 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.292 0 N-CA-C 108.814 -1.714 . . . . 0.0 108.814 -176.445 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 363' ' ' ARG . . . . . . . . . . . . . 23.1 tpp85 . . . . . 0 N--CA 1.493 1.696 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -69.75 -35.51 75.02 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.775 0.658 . . . . 0.0 112.775 -172.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 365' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -155.05 166.21 34.28 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 124.906 1.282 . . . . 0.0 108.652 -178.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 366' ' ' SER . . . . . . . . . . . . . 47.4 m -67.06 -179.35 0.93 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.742 0.817 . . . . 0.0 111.573 170.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 12.6 m -59.66 -27.42 66.37 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.795 0.838 . . . . 0.0 112.966 -178.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 368' ' ' HIS . . . . . . . . . . . . . 7.5 t60 43.94 -108.1 0.12 Allowed 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.597 1.559 . . . . 0.0 110.427 -171.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 369' ' ' LEU . . . . . 0.518 ' HG ' ' H ' ' B' ' 371' ' ' SER . 8.0 tp -156.43 142.77 18.33 Favored 'General case' 0 N--CA 1.443 -0.823 0 N-CA-C 104.922 -2.251 . . . . 0.0 104.922 -175.254 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 370' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.418 0 C-N-CA 124.195 0.998 . . . . 0.0 109.101 171.007 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 371' ' ' SER . . . . . 0.518 ' H ' ' HG ' ' B' ' 369' ' ' LEU 0.268 8.4 p 52.07 20.7 1.34 Allowed 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 129.702 3.201 . . . . 0.0 114.87 174.5 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 372' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -64.66 152.96 40.92 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.808 0.843 . . . . 0.0 110.799 -176.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 373' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -67.05 -34.8 78.48 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 122.375 0.27 . . . . 0.0 110.949 172.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 374' ' ' GLY . . . . . . . . . . . . . . . -110.22 50.91 0.74 Allowed Glycine 0 CA--C 1.526 0.743 0 C-N-CA 125.551 1.548 . . . . 0.0 109.645 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 32.4 tp60 -59.79 -29.65 68.36 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.007 0.923 . . . . 0.0 112.847 -174.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 13.1 m -142.39 162.62 35.0 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.549 1.14 . . . . 0.0 109.988 -172.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 5.2 m . . . . . 0 C--O 1.258 1.522 0 C-N-CA 124.892 1.277 . . . . 0.0 109.432 174.083 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.654 0 N-CA-C 111.397 -0.681 . . . . 0.0 111.397 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -68.13 154.87 40.8 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 117.636 0.718 . . . . 0.0 110.626 177.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 44.7 tpp -66.36 149.7 49.98 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 172.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 51.6 t30 -149.9 156.08 41.14 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 123.921 0.889 . . . . 0.0 109.533 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 42.2 m -53.59 107.95 0.3 Allowed 'General case' 0 C--O 1.235 0.3 0 C-N-CA 125.368 1.467 . . . . 0.0 110.472 -178.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 94.0 m-85 63.14 -64.27 0.11 Allowed 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 127.81 2.444 . . . . 0.0 113.766 177.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 4.1 t -56.15 111.98 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 C-N-CA 125.759 1.623 . . . . 0.0 108.942 -177.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 115.43 -21.57 12.78 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 125.301 1.429 . . . . 0.0 112.802 178.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 10.6 mp -72.75 140.09 47.55 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 118.754 1.277 . . . . 0.0 110.357 -175.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 57.1 mtp180 -81.72 126.32 31.66 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 105.558 -2.016 . . . . 0.0 105.558 168.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 14.4 m -143.51 -175.08 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 C-N-CA 124.852 1.261 . . . . 0.0 107.975 -173.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.8 t -121.93 144.4 31.27 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 N-CA-C 105.565 -2.013 . . . . 0.0 105.565 170.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -147.3 152.64 38.6 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.396 1.078 . . . . 0.0 109.046 -169.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 76.6 tttt -83.4 132.73 34.97 Favored 'General case' 0 CA--C 1.514 -0.442 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 16.3 t-105 -79.23 138.9 37.99 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 169.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 1.2 m -60.66 -23.34 64.72 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 117.952 2.575 . . . . 0.0 117.952 -168.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 15.3 m -73.99 45.11 0.2 Allowed 'General case' 0 N--CA 1.482 1.158 0 CA-C-N 121.104 1.775 . . . . 0.0 112.365 177.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 64.7 t30 46.95 37.17 4.64 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.621 1.968 . . . . 0.0 111.55 -169.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -84.91 -178.66 51.09 Favored Glycine 0 C--N 1.339 0.75 0 CA-C-O 122.626 1.126 . . . . 0.0 113.583 -169.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1500 ' ' TYR . . . . . 0.414 ' CG ' ' HA ' ' A' 1589 ' ' SER . 11.3 m-30 -66.65 168.68 8.95 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 126.27 1.828 . . . . 0.0 110.412 169.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -94.94 108.51 20.56 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 105.368 -2.086 . . . . 0.0 105.368 -178.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -98.17 151.96 19.87 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 125.055 1.342 . . . . 0.0 108.112 -175.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 3.8 m -69.12 148.74 49.52 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 123.325 0.65 . . . . 0.0 110.262 175.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -172.37 -177.5 41.87 Favored Glycine 0 C--N 1.331 0.289 0 O-C-N 121.641 -0.662 . . . . 0.0 112.378 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -126.19 129.39 48.9 Favored 'General case' 0 CA--C 1.513 -0.466 0 C-N-CA 125.913 1.685 . . . . 0.0 106.593 -174.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 20.2 mt -72.28 128.32 35.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 106.872 -1.529 . . . . 0.0 106.872 179.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 73.2 p -102.94 -36.01 8.36 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 123.365 0.666 . . . . 0.0 110.519 -171.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -167.73 142.35 3.67 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 124.141 0.976 . . . . 0.0 111.087 176.591 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 6.1 t0 -70.77 103.5 2.61 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 168.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.5 t -64.78 -50.7 74.12 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 -176.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 148.67 163.73 11.04 Favored Glycine 0 C--N 1.338 0.656 0 N-CA-C 109.679 -1.368 . . . . 0.0 109.679 178.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 57.22 9.43 0.69 Allowed 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 115.016 1.487 . . . . 0.0 115.016 177.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 105.17 -5.69 42.13 Favored Glycine 0 C--O 1.222 -0.642 0 C-N-CA 125.099 1.333 . . . . 0.0 111.328 -176.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 11.9 mtpp -75.03 135.49 41.26 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 120.021 1.911 . . . . 0.0 106.983 169.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -126.0 137.41 53.66 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 105.494 -2.039 . . . . 0.0 105.494 169.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 28.8 ttpt -84.33 138.49 32.86 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 176.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.4 mm? -125.17 118.29 25.74 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 125.001 1.32 . . . . 0.0 108.349 -169.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 32.0 tp -84.02 93.85 8.17 Favored 'General case' 0 CA--C 1.511 -0.539 0 N-CA-C 103.697 -2.705 . . . . 0.0 103.697 168.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -55.81 147.39 19.15 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 172.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -68.03 -17.01 64.28 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.086 -169.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 55.9 p-10 -84.39 5.08 28.49 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.485 1.514 . . . . 0.0 112.603 171.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 102.2 -4.56 51.97 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 125.304 1.431 . . . . 0.0 114.536 169.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -82.3 157.06 23.98 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 118.523 1.161 . . . . 0.0 110.042 -174.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -140.84 117.98 11.27 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 123.683 0.793 . . . . 0.0 108.874 -175.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 97.3 m -144.66 166.46 25.14 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 125.941 1.696 . . . . 0.0 107.799 174.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -94.16 145.23 24.84 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 123.552 0.741 . . . . 0.0 109.706 175.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 84.1 t -144.23 137.48 23.43 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 -174.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 7.7 mt -74.73 150.49 39.43 Favored 'General case' 0 CA--C 1.514 -0.427 0 C-N-CA 122.916 0.487 . . . . 0.0 111.053 178.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -55.44 -33.74 59.03 Favored Glycine 0 C--N 1.333 0.411 0 C-N-CA 124.402 1.001 . . . . 0.0 113.451 -178.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.85 -32.96 64.1 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 117.548 0.674 . . . . 0.0 110.413 176.514 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -99.72 22.47 10.94 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.579 1.551 . . . . 0.0 112.098 -170.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -132.08 136.29 56.89 Favored 'Isoleucine or valine' 0 C--N 1.347 0.467 0 N-CA-C 107.135 -1.432 . . . . 0.0 107.135 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 62.9 mt -116.25 115.21 25.55 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 127.368 2.267 . . . . 0.0 104.957 -176.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.7 -3.35 15.86 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 116.165 1.913 . . . . 0.0 116.165 -169.286 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 22.9 p -132.91 52.73 2.06 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 106.395 -1.706 . . . . 0.0 106.395 -177.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 51.3 t0 -115.44 62.65 1.78 Allowed Pre-proline 0 CA--C 1.541 0.62 0 N-CA-C 117.439 2.385 . . . . 0.0 117.439 -168.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -72.49 119.54 6.18 Favored 'Trans proline' 0 CA--C 1.545 1.071 1 N-CA-C 101.129 -4.22 . . . . 0.0 101.129 166.08 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 9.7 mm -59.85 122.79 68.18 Favored Pre-proline 0 CA--C 1.538 0.506 0 CA-C-N 119.5 1.045 . . . . 0.0 109.496 -168.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -65.73 142.74 71.44 Favored 'Trans proline' 0 N--CA 1.452 -0.942 0 C-N-CA 121.453 1.436 . . . . 0.0 110.139 176.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 4.4 mp -56.75 146.92 24.39 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 174.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 4.5 t70 77.18 -3.88 2.41 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 127.455 2.302 . . . . 0.0 113.57 -177.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 21.6 m -69.72 136.35 50.9 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 171.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -75.01 136.5 41.24 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 170.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 2.3 m -145.3 160.06 13.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 124.765 1.226 . . . . 0.0 109.183 -177.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 4.4 m -90.68 141.97 28.24 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 106.23 -1.767 . . . . 0.0 106.23 169.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -118.37 141.77 48.2 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 126.161 1.784 . . . . 0.0 107.866 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -138.75 122.08 17.1 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 123.98 0.912 . . . . 0.0 110.94 -169.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 15.5 m -73.41 162.12 29.66 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 107.061 -1.459 . . . . 0.0 107.061 168.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -74.23 13.14 0.61 Allowed 'General case' 0 CA--C 1.55 0.952 0 O-C-N 120.872 -1.142 . . . . 0.0 112.7 -175.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 21.0 t0 -147.18 60.45 1.17 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.98 1.712 . . . . 0.0 108.913 -177.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1551 ' ' GLU . . . . . . . . . . . . 0.268 6.8 pt-20 58.96 -7.61 0.05 OUTLIER 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 119.304 3.075 . . . . 0.0 119.304 171.104 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -59.82 128.98 39.58 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 121.595 1.998 . . . . 0.0 108.534 171.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -137.09 129.96 30.55 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 124.453 1.101 . . . . 0.0 109.474 -169.161 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 3.3 p -152.06 177.9 10.01 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.609 1.563 . . . . 0.0 109.367 174.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -131.06 156.88 44.43 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 119.723 1.147 . . . . 0.0 111.28 174.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.31 -160.06 17.76 Favored Glycine 0 CA--C 1.528 0.901 0 C-N-CA 126.362 1.934 . . . . 0.0 109.038 -170.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.0 t -133.26 142.66 41.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 CA-C-N 118.943 1.371 . . . . 0.0 109.731 -174.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 71.4 t -65.43 129.42 29.64 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.161 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 172.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -132.93 13.76 4.32 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.813 1.245 . . . . 0.0 111.576 171.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -177.47 173.3 46.04 Favored Glycine 0 C--N 1.342 0.896 0 CA-C-N 119.474 1.034 . . . . 0.0 112.603 174.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 13.7 m80 -135.25 153.82 51.78 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 126.33 1.852 . . . . 0.0 109.897 -178.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 44.7 ttt180 -149.27 161.05 42.79 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 107.078 -1.453 . . . . 0.0 107.078 172.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -131.24 125.53 33.13 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 106.102 -1.814 . . . . 0.0 106.102 169.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -150.44 138.99 20.58 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 -173.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 37.0 m 49.73 30.76 3.91 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.422 1.089 . . . . 0.0 113.864 178.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 67.11 35.41 88.78 Favored Glycine 0 CA--C 1.531 1.07 0 CA-C-O 119.349 -0.695 . . . . 0.0 112.405 -178.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -140.68 151.24 44.4 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 106.441 -1.689 . . . . 0.0 106.441 176.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 40.3 tp -93.11 139.07 30.95 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 -174.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -130.7 156.43 44.94 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 124.618 1.167 . . . . 0.0 108.833 -174.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -136.67 134.41 37.22 Favored 'General case' 0 N--CA 1.446 -0.661 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 -177.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 36.9 t -82.44 107.35 15.03 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 102.281 -3.229 . . . . 0.0 102.281 168.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 24.7 mm -89.86 124.78 42.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 104.977 -2.231 . . . . 0.0 104.977 171.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -84.27 114.25 21.71 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 103.731 -2.692 . . . . 0.0 103.731 168.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -144.2 137.15 27.17 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 105.643 -1.984 . . . . 0.0 105.643 -169.431 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 51.15 32.13 7.53 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.799 0.84 . . . . 0.0 112.179 -170.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 68.03 24.26 74.51 Favored Glycine 0 CA--C 1.532 1.146 0 CA-C-O 119.278 -0.734 . . . . 0.0 113.336 178.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -139.05 144.65 38.9 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 118.41 1.105 . . . . 0.0 109.414 178.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 75.3 mtm-85 -83.86 125.63 32.16 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -178.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -139.54 131.28 27.43 Favored 'General case' 0 CA--C 1.523 -0.064 0 N-CA-C 107.021 -1.474 . . . . 0.0 107.021 -169.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 88.9 m95 -80.12 126.68 31.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 118.243 0.474 . . . . 0.0 110.128 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -127.61 146.49 50.52 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 106.6 -1.63 . . . . 0.0 106.6 169.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -86.96 165.45 15.85 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.24 1.016 . . . . 0.0 110.084 -176.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -48.63 -51.47 27.99 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 119.506 1.048 . . . . 0.0 113.24 -177.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 2.1 ppp? -67.47 -21.91 65.5 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 119.9 1.227 . . . . 0.0 113.036 -179.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -81.44 -11.49 59.22 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 118.631 -0.7 . . . . 0.0 111.556 176.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 92.2 t -113.12 91.27 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 N-CA-C 105.651 -1.981 . . . . 0.0 105.651 -174.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 9.3 pt -105.14 164.46 3.98 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 N-CA-C 107.551 -1.278 . . . . 0.0 107.551 -176.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 8.0 mt -108.08 122.77 47.56 Favored 'General case' 0 CA--C 1.509 -0.617 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 -176.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1589 ' ' SER . . . . . 0.414 ' HA ' ' CG ' ' A' 1500 ' ' TYR . 1.5 m -56.79 141.07 45.71 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 106.254 -1.758 . . . . 0.0 106.254 169.499 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.3 pp -52.22 -37.84 56.27 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 114.172 1.175 . . . . 0.0 114.172 -168.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -67.84 -41.16 83.4 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 119.115 0.87 . . . . 0.0 109.781 178.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -67.55 -40.18 84.98 Favored 'General case' 0 C--O 1.223 -0.337 0 O-C-N 121.676 -0.64 . . . . 0.0 109.38 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -64.41 -31.43 80.84 Favored Glycine 0 CA--C 1.528 0.876 0 O-C-N 121.309 -0.869 . . . . 0.0 112.092 174.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -64.84 -37.44 87.64 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 120.886 -1.361 . . . . 0.0 110.943 178.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -56.41 -23.88 41.24 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 118.455 0.571 . . . . 0.0 111.466 177.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 6.6 mp -99.45 -24.18 14.87 Favored 'General case' 0 C--N 1.342 0.275 0 C-N-CA 125.341 1.456 . . . . 0.0 111.327 -179.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 66.2 ttp85 -55.05 -38.51 68.1 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 119.973 1.26 . . . . 0.0 111.477 -177.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -59.46 -20.42 55.04 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-O 118.178 -0.915 . . . . 0.0 113.407 178.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -114.74 -48.5 2.85 Favored 'General case' 0 C--N 1.346 0.428 0 CA-C-N 120.096 1.316 . . . . 0.0 111.954 178.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.0 m-30 -91.68 -9.12 45.02 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 123.96 0.904 . . . . 0.0 112.268 -170.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -54.01 130.99 44.48 Favored Glycine 0 CA--C 1.527 0.816 0 C-N-CA 125.267 1.413 . . . . 0.0 110.795 177.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.96 -44.8 83.94 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 118.455 1.128 . . . . 0.0 109.378 172.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.254 0 N-CA-C 109.421 -1.472 . . . . 0.0 109.421 -174.842 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 363' ' ' ARG . . . . . . . . . . . . . 59.0 ttm-85 . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -109.48 -31.66 7.43 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 113.213 0.82 . . . . 0.0 113.213 175.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 365' ' ' HIS . . . . . . . . . . . . . 68.5 t60 -152.72 169.45 22.72 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 119.491 1.041 . . . . 0.0 108.727 177.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 366' ' ' SER . . . . . . . . . . . . . 7.9 m -74.01 44.76 0.19 Allowed 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 127.647 2.379 . . . . 0.0 113.076 -177.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 14.0 m 70.62 -28.92 0.18 Allowed 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 128.917 2.887 . . . . 0.0 114.885 174.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 368' ' ' HIS . . . . . . . . . . . . 0.301 0.2 OUTLIER 37.99 -103.29 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 128.099 2.56 . . . . 0.0 113.761 -169.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 55.8 tp -162.48 149.66 13.57 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-N 120.118 1.326 . . . . 0.0 110.572 -168.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 370' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.622 0 C-N-CA 125.775 1.63 . . . . 0.0 112.906 175.478 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 371' ' ' SER . . . . . . . . . . . . 0.262 14.3 p 56.85 165.69 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 129.413 3.085 . . . . 0.0 114.738 173.549 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 372' ' ' LYS . . . . . . . . . . . . . 56.4 tptt -55.39 -32.04 62.31 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 120.011 -1.681 . . . . 0.0 112.815 -169.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 373' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -75.87 -15.72 60.17 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 117.898 -1.049 . . . . 0.0 113.439 -178.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 374' ' ' GLY . . . . . . . . . . . . . . . -139.82 -14.96 0.56 Allowed Glycine 0 CA--C 1.532 1.13 0 CA-C-N 120.062 1.301 . . . . 0.0 115.127 -170.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 49.2 tp60 -64.55 -27.71 69.14 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 118.975 1.387 . . . . 0.0 111.517 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 17.1 m -144.53 162.71 35.89 Favored 'General case' 0 C--O 1.24 0.599 0 C-N-CA 125.736 1.614 . . . . 0.0 108.718 178.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.255 1.386 0 C-N-CA 123.719 0.808 . . . . 0.0 109.926 169.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.612 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -132.37 10.88 4.49 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.649 0.78 . . . . 0.0 111.921 -170.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 26.3 ttt -65.87 150.05 49.21 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 121.458 -0.776 . . . . 0.0 109.171 174.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 49.7 t30 -147.52 159.76 43.37 Favored 'General case' 0 C--O 1.232 0.136 0 C-N-CA 124.992 1.317 . . . . 0.0 108.442 176.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 16.3 m -62.84 87.23 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.707 1.603 . . . . 0.0 110.9 178.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 92.0 m-85 67.11 -61.24 0.35 Allowed 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 128.301 2.64 . . . . 0.0 113.674 174.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 13.8 t -61.25 120.27 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 C-N-CA 124.084 0.954 . . . . 0.0 108.777 -175.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 110.78 -28.35 10.07 Favored Glycine 0 CA--C 1.53 1.005 0 C-N-CA 124.964 1.268 . . . . 0.0 112.619 -177.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 49.5 mt -69.52 139.16 53.79 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 118.728 1.264 . . . . 0.0 112.215 -174.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 50.7 mtp180 -81.82 128.43 34.01 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 105.668 -1.975 . . . . 0.0 105.668 168.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 14.7 m -145.79 -176.98 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 124.924 1.29 . . . . 0.0 107.63 -172.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.5 t -118.97 143.47 30.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 N-CA-C 105.357 -2.09 . . . . 0.0 105.357 169.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -147.11 153.08 39.51 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 124.233 1.013 . . . . 0.0 110.021 -169.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 79.3 tttt -82.71 130.69 35.17 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 -179.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 20.6 t-105 -75.09 141.72 43.75 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 169.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 2.0 p -62.2 -25.37 67.75 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 117.246 2.313 . . . . 0.0 117.246 -168.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 6.6 m -75.85 46.9 0.4 Allowed 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 121.208 1.822 . . . . 0.0 112.365 178.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 63.2 t30 45.6 42.52 8.28 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.164 1.786 . . . . 0.0 111.658 -170.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -90.21 -177.23 44.75 Favored Glycine 0 C--N 1.339 0.739 0 CA-C-O 122.761 1.201 . . . . 0.0 113.307 -169.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 12.1 m-30 -68.05 168.57 11.71 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 126.907 2.083 . . . . 0.0 110.62 169.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 5.4 m-30 -90.83 108.23 19.7 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 105.947 -1.872 . . . . 0.0 105.947 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -98.1 151.86 19.93 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.0 1.32 . . . . 0.0 108.096 -178.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 4.7 m -72.68 149.23 44.0 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 123.22 0.608 . . . . 0.0 110.363 177.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -173.26 -176.03 41.48 Favored Glycine 0 C--N 1.335 0.51 0 O-C-N 121.654 -0.654 . . . . 0.0 112.318 -177.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 38.7 mtmt -126.0 128.84 48.09 Favored 'General case' 0 CA--C 1.514 -0.428 0 C-N-CA 126.569 1.948 . . . . 0.0 106.868 -174.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 21.9 mt -72.52 134.23 30.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 106.733 -1.58 . . . . 0.0 106.733 177.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 43.6 p -110.12 -30.37 7.79 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 123.327 0.651 . . . . 0.0 109.789 -172.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 13.4 ttt-85 -168.12 149.0 5.02 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 115.727 -0.67 . . . . 0.0 112.215 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 6.5 t70 -78.45 110.35 13.45 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 103.761 -2.681 . . . . 0.0 103.761 167.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.5 t -71.58 -49.93 43.12 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 -179.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 147.73 164.04 11.03 Favored Glycine 0 C--N 1.338 0.665 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 178.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 60.3 4.52 0.69 Allowed 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 115.304 1.594 . . . . 0.0 115.304 177.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 107.86 -7.17 35.67 Favored Glycine 0 CA--C 1.523 0.556 0 C-N-CA 124.656 1.122 . . . . 0.0 111.087 -173.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -75.07 138.54 42.2 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 120.074 1.937 . . . . 0.0 107.993 169.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -127.9 137.5 52.33 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 105.091 -2.189 . . . . 0.0 105.091 169.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 29.4 ttpt -83.68 138.14 33.45 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 177.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.3 mm? -124.87 118.43 26.31 Favored 'General case' 0 CA--C 1.51 -0.572 0 C-N-CA 125.091 1.356 . . . . 0.0 108.891 -169.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 33.1 tp -84.08 92.96 8.01 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 103.686 -2.709 . . . . 0.0 103.686 168.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -54.49 148.12 12.74 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 171.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -67.74 -19.81 65.17 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 122.724 0.41 . . . . 0.0 111.953 -169.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 55.8 p30 -80.01 -0.1 33.96 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.586 1.554 . . . . 0.0 112.978 171.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 106.04 -4.23 38.59 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 125.46 1.505 . . . . 0.0 114.087 169.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -81.69 157.63 24.54 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 118.38 1.09 . . . . 0.0 110.155 -174.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -141.43 118.46 11.24 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 123.363 0.665 . . . . 0.0 109.287 -174.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 74.2 m -144.31 164.44 30.76 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 125.339 1.456 . . . . 0.0 108.472 174.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -81.33 145.13 31.02 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 170.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 97.0 t -142.06 139.23 30.49 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.178 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 177.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.7 mt -79.33 152.78 30.27 Favored 'General case' 0 CA--C 1.512 -0.498 0 C-N-CA 123.139 0.576 . . . . 0.0 111.937 179.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -53.7 -39.69 61.85 Favored Glycine 0 CA--C 1.523 0.534 0 C-N-CA 124.456 1.027 . . . . 0.0 113.788 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1530 ' ' LYS . . . . . . . . . . . . 0.255 0.0 OUTLIER -65.59 -9.98 31.51 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 118.685 1.242 . . . . 0.0 113.128 178.087 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -112.13 21.32 15.98 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.657 1.583 . . . . 0.0 111.525 -177.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -133.66 138.91 49.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 73.5 mt -120.48 116.16 24.89 Favored 'General case' 0 CA--C 1.521 -0.172 0 N-CA-C 104.609 -2.367 . . . . 0.0 104.609 -177.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.3 -3.1 17.41 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 116.655 2.094 . . . . 0.0 116.655 -169.013 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 24.2 p -134.6 53.81 1.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 105.929 -1.878 . . . . 0.0 105.929 -177.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 51.9 t0 -117.26 64.54 3.84 Favored Pre-proline 0 CA--C 1.541 0.597 0 N-CA-C 117.273 2.323 . . . . 0.0 117.273 -168.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -72.11 120.36 6.76 Favored 'Trans proline' 0 CA--C 1.545 1.066 1 N-CA-C 100.981 -4.276 . . . . 0.0 100.981 165.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 10.3 mm -60.13 124.08 75.72 Favored Pre-proline 0 CA--C 1.538 0.511 0 CA-C-N 119.3 0.954 . . . . 0.0 109.865 -168.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -61.66 143.6 96.74 Favored 'Trans proline' 0 N--CA 1.454 -0.828 0 C-N-CA 122.066 1.844 . . . . 0.0 110.712 175.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 4.1 mp -59.52 149.63 29.29 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 169.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 21.8 t70 74.27 -4.6 2.26 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 127.04 2.136 . . . . 0.0 113.536 -175.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 19.2 m -70.72 133.58 46.72 Favored 'General case' 0 C--O 1.238 0.475 0 O-C-N 120.826 -1.171 . . . . 0.0 108.402 171.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -74.48 136.31 42.26 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 170.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 2.4 m -145.94 160.56 11.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 C-N-CA 124.309 1.043 . . . . 0.0 109.506 -175.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 7.6 m -90.25 143.12 27.06 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 105.954 -1.869 . . . . 0.0 105.954 169.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -121.64 143.29 49.41 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 125.907 1.683 . . . . 0.0 107.438 -179.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -138.59 120.44 15.38 Favored 'General case' 0 CA--C 1.518 -0.288 0 C-N-CA 124.04 0.936 . . . . 0.0 109.03 -169.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 14.8 m -71.45 158.56 36.06 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 106.655 -1.609 . . . . 0.0 106.655 168.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -73.63 12.86 0.56 Allowed 'General case' 0 CA--C 1.55 0.946 0 O-C-N 121.264 -0.898 . . . . 0.0 112.879 -171.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 25.1 t0 -143.18 57.53 1.39 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.649 1.58 . . . . 0.0 109.293 177.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1551 ' ' GLU . . . . . . . . . . . . 0.286 9.4 pt-20 59.5 2.97 0.37 Allowed 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 119.34 3.089 . . . . 0.0 119.34 169.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -66.31 131.73 46.77 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 120.47 1.487 . . . . 0.0 107.403 169.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -134.22 130.63 37.47 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.358 1.063 . . . . 0.0 109.974 -169.567 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 2.4 p -152.05 178.82 9.05 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.654 1.582 . . . . 0.0 109.504 173.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -131.42 159.2 38.72 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 119.599 1.091 . . . . 0.0 111.0 173.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.87 -159.8 17.8 Favored Glycine 0 CA--C 1.528 0.893 0 C-N-CA 126.348 1.928 . . . . 0.0 109.278 -172.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.4 t -130.98 142.23 44.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-N 118.743 1.271 . . . . 0.0 109.454 -175.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 80.9 t -64.59 126.29 23.15 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 171.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 82.3 mttt -131.84 20.34 4.59 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 119.494 1.043 . . . . 0.0 111.732 170.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 176.98 179.34 47.33 Favored Glycine 0 CA--C 1.524 0.622 0 O-C-N 121.762 -0.586 . . . . 0.0 111.989 169.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 10.3 m80 -141.95 157.26 45.16 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 125.893 1.677 . . . . 0.0 110.887 -172.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 6.4 ttt-85 -151.01 157.59 43.06 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 125.916 1.686 . . . . 0.0 107.319 169.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -133.54 120.51 20.87 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 105.849 -1.908 . . . . 0.0 105.849 173.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -151.86 140.75 21.03 Favored 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 -174.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 31.4 m 50.62 30.93 5.21 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.592 1.157 . . . . 0.0 113.429 178.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 68.18 31.64 75.04 Favored Glycine 0 CA--C 1.528 0.905 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.299 -178.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -136.84 155.79 49.33 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 118.785 1.293 . . . . 0.0 107.626 176.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 36.9 tp -103.83 132.46 50.06 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 125.444 1.498 . . . . 0.0 107.9 -172.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -124.44 155.4 38.94 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 125.084 1.354 . . . . 0.0 108.651 -174.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -138.25 128.41 25.81 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 106.382 -1.71 . . . . 0.0 106.382 -176.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -86.19 96.19 9.84 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 104.748 -2.316 . . . . 0.0 104.748 169.616 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 36.7 mm -79.04 130.53 36.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 105.98 -1.859 . . . . 0.0 105.98 177.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -83.9 118.11 23.77 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 103.695 -2.706 . . . . 0.0 103.695 168.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -143.93 134.56 24.93 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 105.055 -2.202 . . . . 0.0 105.055 -169.747 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 51.16 35.06 12.32 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.757 0.823 . . . . 0.0 111.637 -169.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 73.64 15.41 79.33 Favored Glycine 0 CA--C 1.532 1.115 0 CA-C-O 119.008 -0.885 . . . . 0.0 114.184 173.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -143.86 157.75 44.15 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 118.871 1.336 . . . . 0.0 109.5 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -79.99 140.97 36.38 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 121.555 -0.716 . . . . 0.0 109.263 -176.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -143.1 130.51 21.06 Favored 'General case' 0 CA--C 1.521 -0.136 0 N-CA-C 106.058 -1.83 . . . . 0.0 106.058 -178.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 89.6 m95 -80.83 131.63 35.41 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 118.741 0.701 . . . . 0.0 110.131 176.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -133.13 162.7 31.05 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 169.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -107.96 166.54 10.64 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.354 1.062 . . . . 0.0 109.791 -176.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 20.8 ttp180 -48.43 -47.0 38.32 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -178.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 1.7 ppp? -69.16 -23.97 64.01 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 120.648 1.567 . . . . 0.0 112.531 179.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -87.79 -6.29 58.22 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 124.59 1.156 . . . . 0.0 111.543 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 92.7 t -116.8 99.44 8.29 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.538 0 N-CA-C 105.84 -1.911 . . . . 0.0 105.84 -178.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 8.5 pt -116.75 164.1 13.36 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -172.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 8.7 mt -112.95 125.41 54.36 Favored 'General case' 0 CA--C 1.509 -0.626 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 -171.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.67 136.26 58.01 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 105.821 -1.918 . . . . 0.0 105.821 169.146 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 3.0 pp -54.65 -36.17 64.29 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -169.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -63.18 -37.53 87.57 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.633 0.773 . . . . 0.0 109.517 -178.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 44.1 mm-40 -75.5 -45.19 39.79 Favored 'General case' 0 C--O 1.225 -0.207 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 178.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -58.53 -31.2 66.44 Favored Glycine 0 C--N 1.34 0.76 0 C-N-CA 123.66 0.647 . . . . 0.0 112.062 178.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -58.32 -40.43 82.06 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 118.558 1.179 . . . . 0.0 111.744 174.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -61.27 -22.26 64.67 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 118.927 0.785 . . . . 0.0 111.733 177.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 7.3 mp -94.53 -26.12 16.56 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 124.067 0.947 . . . . 0.0 110.733 175.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -57.65 -39.72 77.65 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.881 1.272 . . . . 0.0 110.486 -176.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -58.99 -19.4 43.04 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-O 117.737 -1.125 . . . . 0.0 113.614 178.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -115.42 -49.99 2.74 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 120.575 1.534 . . . . 0.0 112.177 176.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 8.9 m-30 -91.43 -9.6 44.04 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 124.756 1.223 . . . . 0.0 112.258 -170.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -55.38 130.91 48.49 Favored Glycine 0 CA--C 1.523 0.586 0 C-N-CA 125.206 1.384 . . . . 0.0 109.891 177.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.65 -45.48 86.62 Favored 'General case' 0 N--CA 1.462 0.154 0 N-CA-C 107.377 -1.342 . . . . 0.0 107.377 170.681 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.423 0 N-CA-C 107.686 -2.166 . . . . 0.0 107.686 175.38 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 363' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 . . . . . 0 N--CA 1.492 1.643 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -136.29 -55.63 0.75 Allowed 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 123.619 0.767 . . . . 0.0 110.493 175.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 365' ' ' HIS . . . . . . . . . . . . . 28.2 t60 -158.3 169.18 25.06 Favored 'General case' 0 C--O 1.238 0.497 0 C-N-CA 124.678 1.191 . . . . 0.0 108.923 177.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 366' ' ' SER . . . . . . . . . . . . . 13.7 m -66.75 -176.65 0.51 Allowed 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 124.611 1.164 . . . . 0.0 110.646 169.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 11.1 m -55.38 -26.57 42.16 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.836 0.854 . . . . 0.0 113.225 172.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 368' ' ' HIS . . . . . . . . . . . . . 4.2 t60 58.01 -70.61 0.02 OUTLIER 'General case' 0 C--N 1.34 0.161 0 C-N-CA 128.347 2.659 . . . . 0.0 112.111 -169.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 57.9 tp -172.27 137.14 0.86 Allowed 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 -176.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 370' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.423 0 N-CA-C 102.88 -3.007 . . . . 0.0 102.88 169.708 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 371' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.25 -24.19 67.76 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.821 1.648 . . . . 0.0 114.011 -169.043 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 372' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -140.1 18.95 2.44 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.033 0.933 . . . . 0.0 112.967 175.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 373' ' ' LYS . . . . . . . . . . . . . 15.1 ttpp -149.17 35.95 0.75 Allowed 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 119.188 0.904 . . . . 0.0 112.489 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 374' ' ' GLY . . . . . . . . . . . . . . . -179.95 -100.27 0.14 Allowed Glycine 0 C--N 1.335 0.51 0 N-CA-C 109.839 -1.305 . . . . 0.0 109.839 177.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 19.8 mm100 -78.48 49.84 0.9 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.238 1.015 . . . . 0.0 109.136 170.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 10.3 m -61.31 156.35 19.03 Favored 'General case' 0 C--O 1.241 0.614 0 C-N-CA 125.514 1.526 . . . . 0.0 111.878 -174.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 2.4 p . . . . . 0 C--O 1.252 1.226 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.363 169.728 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.676 0 N-CA-C 112.033 -0.427 . . . . 0.0 112.033 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -62.8 143.99 56.98 Favored 'General case' 0 C--O 1.236 0.347 0 O-C-N 121.91 -0.759 . . . . 0.0 110.417 176.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 41.6 tpp -153.04 148.37 26.96 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 169.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -158.96 160.71 36.32 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 125.525 1.53 . . . . 0.0 107.807 177.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 36.5 m -47.16 -48.76 23.41 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.771 1.228 . . . . 0.0 113.321 172.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -150.58 -48.18 0.12 Allowed 'General case' 0 C--O 1.225 -0.202 0 C-N-CA 123.2 0.6 . . . . 0.0 111.16 -170.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 6.9 t -63.06 114.65 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 C-N-CA 125.748 1.619 . . . . 0.0 109.076 -172.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 112.91 -19.91 20.4 Favored Glycine 0 CA--C 1.528 0.846 0 C-N-CA 124.416 1.008 . . . . 0.0 112.427 179.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 9.5 mp -76.04 140.46 41.95 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 118.694 1.247 . . . . 0.0 109.939 -173.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 26.2 mtt-85 -79.09 129.86 34.89 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 106.553 -1.647 . . . . 0.0 106.553 168.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 16.5 m -147.76 -175.37 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 C-N-CA 124.948 1.299 . . . . 0.0 108.175 -174.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 4.1 t -118.91 144.15 28.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 105.335 -2.098 . . . . 0.0 105.335 169.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -145.73 152.45 39.61 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.475 1.11 . . . . 0.0 109.14 -169.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 78.1 tttt -83.01 131.94 35.16 Favored 'General case' 0 CA--C 1.515 -0.371 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 177.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 15.0 t-105 -76.32 139.04 40.87 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 108.444 -0.946 . . . . 0.0 108.444 169.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 1.5 m -60.35 -23.25 64.11 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 118.426 2.75 . . . . 0.0 118.426 -168.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 12.6 m -76.81 45.83 0.43 Allowed 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 121.455 1.934 . . . . 0.0 111.828 179.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 65.5 t30 49.3 36.86 10.25 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.365 1.866 . . . . 0.0 111.422 -169.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -81.06 179.51 53.57 Favored Glycine 0 C--N 1.339 0.744 0 CA-C-O 122.704 1.169 . . . . 0.0 114.175 -169.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 11.4 m-30 -69.75 167.96 16.01 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 125.978 1.711 . . . . 0.0 109.965 169.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -93.72 108.3 20.07 Favored 'General case' 0 N--CA 1.442 -0.832 0 N-CA-C 105.967 -1.864 . . . . 0.0 105.967 -177.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -99.62 155.04 17.81 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 -178.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 6.9 m -66.11 146.17 54.97 Favored 'General case' 0 C--O 1.236 0.345 0 O-C-N 121.529 -0.732 . . . . 0.0 110.425 173.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -167.22 -179.01 39.9 Favored Glycine 0 C--N 1.332 0.326 0 N-CA-C 111.612 -0.595 . . . . 0.0 111.612 -179.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -134.34 126.16 29.09 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 105.926 -1.879 . . . . 0.0 105.926 -170.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 15.8 mt -73.13 134.43 29.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 106.749 -1.574 . . . . 0.0 106.749 -176.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 51.3 p -110.03 -35.97 5.99 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 123.003 0.521 . . . . 0.0 110.669 -171.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -166.6 141.91 4.4 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.772 0.829 . . . . 0.0 111.432 174.436 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 5.9 t0 -69.36 102.56 1.78 Allowed 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 124.907 1.283 . . . . 0.0 107.666 168.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.5 t -64.96 -51.07 71.34 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 -176.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 146.19 164.86 11.16 Favored Glycine 0 C--N 1.339 0.741 0 N-CA-C 109.762 -1.335 . . . . 0.0 109.762 179.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 59.02 8.03 0.93 Allowed 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 178.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 103.66 -6.77 49.14 Favored Glycine 0 C--N 1.34 0.8 0 C-N-CA 124.228 0.918 . . . . 0.0 111.362 -173.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -75.34 137.62 41.22 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 120.567 2.183 . . . . 0.0 107.927 169.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -127.69 136.47 51.62 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 105.155 -2.165 . . . . 0.0 105.155 169.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -82.98 137.34 34.2 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 177.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 2.9 mm? -124.39 118.98 27.91 Favored 'General case' 0 CA--C 1.511 -0.556 0 C-N-CA 125.232 1.413 . . . . 0.0 109.046 -169.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 35.6 tp -84.07 98.05 9.65 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 105.543 -2.021 . . . . 0.0 105.543 169.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -61.92 152.88 30.79 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 122.851 0.461 . . . . 0.0 109.884 175.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -65.79 -23.03 66.62 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 122.142 -0.349 . . . . 0.0 110.994 170.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 26.4 t0 -62.39 -15.28 47.98 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.494 1.518 . . . . 0.0 111.8 170.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 102.29 -0.16 50.53 Favored Glycine 0 CA--C 1.533 1.163 0 C-N-CA 125.474 1.511 . . . . 0.0 113.245 171.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -93.67 162.12 14.07 Favored 'General case' 0 C--O 1.228 -0.06 0 C-N-CA 124.481 1.113 . . . . 0.0 109.728 -173.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -138.51 118.94 13.77 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 79.8 m -146.25 165.23 29.84 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 125.733 1.613 . . . . 0.0 108.186 172.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -76.54 143.33 40.43 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 172.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 96.1 t -140.15 136.93 37.86 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 N-CA-C 106.778 -1.564 . . . . 0.0 106.778 174.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.1 mt -74.85 148.43 40.22 Favored 'General case' 0 CA--C 1.509 -0.625 0 O-C-N 121.833 -0.542 . . . . 0.0 111.466 178.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -57.5 -35.12 71.11 Favored Glycine 0 CA--C 1.521 0.45 0 C-N-CA 124.088 0.851 . . . . 0.0 113.311 -176.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.82 -18.74 57.41 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 118.855 1.328 . . . . 0.0 112.638 173.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -106.46 22.81 15.21 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.543 1.537 . . . . 0.0 111.605 -176.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 1.1 mt -133.64 137.65 52.34 Favored 'Isoleucine or valine' 0 C--N 1.346 0.426 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 70.6 mt -119.55 114.75 22.73 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 127.478 2.311 . . . . 0.0 104.777 -175.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.51 -3.5 18.05 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 116.713 2.116 . . . . 0.0 116.713 -168.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 24.3 p -133.79 54.46 1.95 Allowed 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 106.02 -1.845 . . . . 0.0 106.02 -177.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 53.9 t0 -116.89 62.44 2.82 Favored Pre-proline 0 CA--C 1.538 0.514 0 N-CA-C 117.197 2.295 . . . . 0.0 117.197 -168.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -72.66 121.84 7.72 Favored 'Trans proline' 0 CA--C 1.545 1.028 1 N-CA-C 100.798 -4.347 . . . . 0.0 100.798 165.758 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 4.9 mm -60.01 122.39 65.74 Favored Pre-proline 0 CA--C 1.539 0.546 0 CA-C-N 119.298 0.954 . . . . 0.0 108.682 -168.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -62.14 144.97 96.48 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 121.869 1.713 . . . . 0.0 110.709 178.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 4.0 mp -58.62 148.85 27.49 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 169.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 21.4 t70 73.02 -4.57 2.14 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.49 1.916 . . . . 0.0 113.507 -176.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 23.5 m -68.29 136.3 53.26 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 169.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -84.49 135.16 34.35 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 172.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 2.4 m -147.61 163.09 6.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 124.469 1.108 . . . . 0.0 109.17 -171.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 6.3 m -88.66 142.82 27.37 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 105.81 -1.922 . . . . 0.0 105.81 169.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -116.56 142.51 46.79 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 125.726 1.61 . . . . 0.0 107.052 176.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.1 112.23 9.07 Favored 'General case' 0 CA--C 1.514 -0.406 0 C-N-CA 123.992 0.917 . . . . 0.0 109.197 -169.554 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 19.5 m -65.5 140.92 58.62 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 104.847 -2.279 . . . . 0.0 104.847 168.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -60.14 16.51 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 117.818 2.525 . . . . 0.0 117.818 -168.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 38.0 t70 -131.94 -41.57 1.02 Allowed 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 117.354 -1.307 . . . . 0.0 112.747 175.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -172.0 -32.71 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 120.363 1.438 . . . . 0.0 114.299 172.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -53.93 120.09 5.89 Favored 'General case' 0 C--N 1.341 0.217 0 C-N-CA 124.108 0.963 . . . . 0.0 111.017 -168.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 3.2 t80 -118.03 132.31 56.39 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 125.353 1.461 . . . . 0.0 110.681 -168.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 2.7 p -152.45 177.81 10.21 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.05 1.34 . . . . 0.0 109.419 171.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -133.67 156.77 47.32 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 121.013 -1.054 . . . . 0.0 111.22 171.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -169.31 -161.64 20.06 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 126.427 1.965 . . . . 0.0 108.975 -172.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.4 t -129.94 142.83 42.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 CA-C-N 118.864 1.332 . . . . 0.0 109.618 -174.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 76.4 t -65.53 123.81 19.21 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 173.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 79.1 mttt -131.84 31.7 4.18 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 119.328 0.967 . . . . 0.0 111.55 171.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 166.44 177.34 38.33 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.328 -0.709 . . . . 0.0 111.328 169.009 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 7.3 m80 -141.1 155.41 46.13 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 126.436 1.895 . . . . 0.0 110.492 -174.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -150.34 160.81 43.46 Favored 'General case' 0 N--CA 1.46 0.057 0 C-N-CA 125.243 1.417 . . . . 0.0 107.542 170.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -130.57 125.53 34.43 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 106.2 -1.778 . . . . 0.0 106.2 169.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -151.18 140.35 21.21 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 -173.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 31.0 m 50.64 29.52 4.2 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.377 1.071 . . . . 0.0 113.42 179.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 66.51 34.33 87.37 Favored Glycine 0 CA--C 1.532 1.094 0 CA-C-O 119.336 -0.702 . . . . 0.0 112.282 -177.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -140.25 150.86 44.62 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 106.981 -1.488 . . . . 0.0 106.981 178.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 45.7 tp -96.3 134.17 39.76 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 124.483 1.113 . . . . 0.0 108.863 -171.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -125.94 155.73 40.87 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 125.066 1.346 . . . . 0.0 109.488 -173.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -138.45 127.54 24.12 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 106.087 -1.82 . . . . 0.0 106.087 -174.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.5 p -87.17 94.29 9.61 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 105.671 -1.974 . . . . 0.0 105.671 169.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 42.7 mm -76.58 127.96 37.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 106.425 -1.694 . . . . 0.0 106.425 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -83.32 124.29 30.47 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 104.237 -2.505 . . . . 0.0 104.237 168.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -144.78 136.97 26.11 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 105.239 -2.134 . . . . 0.0 105.239 -176.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 53.34 28.39 7.32 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.673 0.789 . . . . 0.0 112.292 -174.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 77.74 15.57 81.12 Favored Glycine 0 CA--C 1.531 1.065 0 CA-C-O 119.21 -0.772 . . . . 0.0 113.73 175.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -140.84 153.88 45.96 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 118.415 1.108 . . . . 0.0 109.239 177.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 68.2 mtm180 -88.28 145.81 25.66 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 119.144 0.884 . . . . 0.0 110.526 -176.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.7 tmtt? -143.63 132.37 22.56 Favored 'General case' 0 N--CA 1.46 0.068 0 N-CA-C 105.926 -1.879 . . . . 0.0 105.926 -175.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 89.9 m95 -80.82 131.24 35.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 118.779 0.718 . . . . 0.0 110.23 178.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -133.27 164.21 27.59 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.377 1.471 . . . . 0.0 107.103 169.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -110.94 165.39 11.9 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.039 0.935 . . . . 0.0 110.252 -176.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 24.8 ttp180 -43.92 -54.97 4.9 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 117.441 -1.266 . . . . 0.0 114.057 -177.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 2.0 ppp? -67.99 -20.33 65.02 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 120.773 1.624 . . . . 0.0 112.995 -178.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -89.35 -5.19 57.7 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.27 1.428 . . . . 0.0 111.116 176.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 67.8 t -118.77 92.92 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 N-CA-C 105.786 -1.931 . . . . 0.0 105.786 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 9.6 pt -114.23 162.61 12.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -170.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 3.9 mt -111.57 118.62 36.21 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -173.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.22 142.58 42.48 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 105.885 -1.895 . . . . 0.0 105.885 169.168 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 3.0 pp -55.01 -34.97 63.9 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.87 1.214 . . . . 0.0 112.975 -169.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -64.5 -36.87 85.58 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 123.166 0.586 . . . . 0.0 110.751 179.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -69.56 -49.83 50.55 Favored 'General case' 0 C--O 1.223 -0.332 0 C-N-CA 124.462 1.105 . . . . 0.0 108.111 175.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -60.8 -28.29 68.04 Favored Glycine 0 C--N 1.338 0.651 0 C-N-CA 124.157 0.884 . . . . 0.0 112.296 -176.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -57.32 -42.49 81.97 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 118.35 1.075 . . . . 0.0 111.139 174.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -59.3 -24.73 63.54 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 118.248 0.476 . . . . 0.0 111.731 179.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 7.9 mp -93.94 -26.85 16.67 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.101 0.96 . . . . 0.0 110.834 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -56.71 -39.09 73.26 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 119.601 1.091 . . . . 0.0 111.403 -176.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -59.57 -20.19 53.94 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-O 118.027 -0.987 . . . . 0.0 113.289 179.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -114.55 -48.49 2.86 Favored 'General case' 0 C--N 1.346 0.425 0 CA-C-N 119.95 1.25 . . . . 0.0 112.137 177.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 9.2 m-30 -91.74 -9.57 43.22 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 124.137 0.975 . . . . 0.0 112.285 -170.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -57.82 129.15 49.11 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 125.549 1.547 . . . . 0.0 110.606 -179.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.05 -51.19 49.59 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 118.356 1.078 . . . . 0.0 109.088 175.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.203 0 CA-C-N 113.558 -1.656 . . . . 0.0 109.967 -169.065 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 363' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 . . . . . 0 N--CA 1.495 1.789 0 N-CA-C 111.323 0.12 . . . . 0.0 111.323 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -62.39 -26.29 68.4 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 -171.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 365' ' ' HIS . . . . . 0.415 ' CG ' ' H ' ' B' ' 366' ' ' SER . 80.4 t60 -145.19 174.2 11.28 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 124.657 1.183 . . . . 0.0 109.478 -179.067 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 366' ' ' SER . . . . . 0.415 ' H ' ' CG ' ' B' ' 365' ' ' HIS . 11.5 m -55.73 168.96 0.37 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.132 1.773 . . . . 0.0 111.836 169.497 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 16.2 m -67.84 28.19 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 127.579 2.351 . . . . 0.0 114.627 -177.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 368' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -53.32 153.65 3.78 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 122.624 1.202 . . . . 0.0 111.804 -173.29 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 15.2 tp -41.58 135.17 2.21 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 127.457 2.303 . . . . 0.0 112.454 177.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 370' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.413 0 N-CA-C 105.175 -2.158 . . . . 0.0 105.175 169.625 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 371' ' ' SER . . . . . . . . . . . . . 3.7 p -60.73 -35.57 76.69 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 125.229 1.412 . . . . 0.0 112.794 -169.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 372' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt 47.57 -146.18 0.26 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.37 1.068 . . . . 0.0 109.143 -172.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 373' ' ' LYS . . . . . . . . . . . . . 59.3 mtmt -56.96 -27.0 60.84 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 119.16 0.891 . . . . 0.0 113.1 -174.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 374' ' ' GLY . . . . . . . . . . . . . . . 167.46 168.47 29.66 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 173.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -131.65 23.56 4.69 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.997 1.319 . . . . 0.0 110.438 -178.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 4.6 m -62.27 -23.1 66.51 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.599 1.16 . . . . 0.0 113.082 -177.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 15.9 m . . . . . 0 C--O 1.251 1.142 0 C-N-CA 125.893 1.677 . . . . 0.0 106.704 -176.843 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.663 0 CA-C-O 121.282 0.379 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 12.5 t60 -145.07 94.08 2.48 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 124.632 1.173 . . . . 0.0 108.008 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 26.8 ptm -154.65 168.88 25.3 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.311 1.444 . . . . 0.0 108.806 178.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 58.6 t30 -147.11 163.51 36.08 Favored 'General case' 0 C--O 1.233 0.193 0 C-N-CA 125.111 1.364 . . . . 0.0 108.369 176.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 48.8 m -49.81 107.7 0.17 Allowed 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 125.38 1.472 . . . . 0.0 110.214 177.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 94.1 m-85 64.27 -63.03 0.16 Allowed 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 127.6 2.36 . . . . 0.0 113.722 179.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 4.0 t -57.22 111.94 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 C-N-CA 125.933 1.693 . . . . 0.0 109.032 -175.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 116.19 -21.11 12.25 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 125.302 1.43 . . . . 0.0 112.935 178.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 9.4 mp -74.85 138.64 42.64 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 118.879 1.34 . . . . 0.0 110.628 -173.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -78.53 127.61 32.39 Favored 'General case' 0 N--CA 1.461 0.121 0 N-CA-C 106.272 -1.751 . . . . 0.0 106.272 168.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 17.5 m -146.74 -175.43 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 125.591 1.556 . . . . 0.0 107.564 -174.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 15.0 t -119.56 151.12 21.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 104.463 -2.421 . . . . 0.0 104.463 169.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -146.69 151.94 38.03 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 -171.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 77.4 tttt -83.75 133.27 34.79 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 106.507 -1.664 . . . . 0.0 106.507 176.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 26.2 t-105 -80.49 88.8 5.62 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 104.386 -2.45 . . . . 0.0 104.386 168.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 14.5 m -57.2 -27.6 62.12 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.149 0.98 . . . . 0.0 112.531 -171.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 10.0 m -69.72 -7.24 37.63 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-O 117.891 -1.052 . . . . 0.0 113.416 -179.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 36.0 t30 -148.47 -37.38 0.18 Allowed 'General case' 0 C--N 1.35 0.587 0 N-CA-C 115.274 1.583 . . . . 0.0 115.274 169.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . 149.93 -38.03 0.93 Allowed Glycine 0 C--N 1.348 1.221 0 N-CA-C 118.082 1.993 . . . . 0.0 118.082 169.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 4.7 m-30 -81.48 166.5 20.28 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.791 1.795 . . . . 0.0 111.27 -169.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -110.71 112.9 25.1 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 106.786 -1.561 . . . . 0.0 106.786 -170.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -113.09 151.49 30.72 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 -173.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 2.7 m -67.48 151.53 47.22 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 124.178 0.991 . . . . 0.0 110.396 177.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -171.37 -177.33 41.06 Favored Glycine 0 C--N 1.333 0.386 0 O-C-N 121.47 -0.769 . . . . 0.0 112.552 178.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 36.2 mtmt -131.96 129.06 39.7 Favored 'General case' 0 CA--C 1.517 -0.312 0 C-N-CA 126.234 1.813 . . . . 0.0 106.253 -174.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 15.7 mt -73.02 130.68 35.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 -177.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 72.9 p -105.39 -36.25 7.24 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 123.153 0.581 . . . . 0.0 110.362 -170.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -168.02 142.26 3.46 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 124.209 1.004 . . . . 0.0 111.044 175.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 6.1 t70 -69.51 102.93 1.92 Allowed 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.144 1.377 . . . . 0.0 107.374 168.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.4 t -64.5 -51.0 73.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 -176.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 145.96 165.06 11.22 Favored Glycine 0 C--N 1.339 0.696 0 N-CA-C 109.697 -1.361 . . . . 0.0 109.697 178.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 60.07 6.42 0.96 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.146 1.378 . . . . 0.0 114.706 178.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 105.72 -7.35 42.02 Favored Glycine 0 C--N 1.337 0.629 0 C-N-CA 124.788 1.185 . . . . 0.0 110.982 -173.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -74.68 138.84 43.09 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-N 120.515 2.158 . . . . 0.0 108.155 169.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -127.78 136.87 52.08 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 105.051 -2.203 . . . . 0.0 105.051 169.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -83.96 138.71 33.0 Favored 'General case' 0 CA--C 1.51 -0.575 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 176.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.1 mm? -124.52 119.07 28.05 Favored 'General case' 0 CA--C 1.508 -0.651 0 C-N-CA 124.862 1.265 . . . . 0.0 108.401 -169.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 28.8 tp -83.54 93.45 7.84 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 103.68 -2.711 . . . . 0.0 103.68 168.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -54.65 147.39 14.61 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 172.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -61.98 -20.77 64.22 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.115 0.566 . . . . 0.0 110.8 -178.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.5 -20.07 64.24 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 128.025 2.53 . . . . 0.0 111.124 173.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 102.22 2.14 51.18 Favored Glycine 0 CA--C 1.538 1.517 0 C-N-CA 126.305 1.907 . . . . 0.0 113.525 -178.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -89.87 159.94 16.71 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 125.211 1.404 . . . . 0.0 109.227 -175.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -141.85 117.95 10.66 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 -174.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 62.0 m -143.88 161.03 39.73 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 125.202 1.401 . . . . 0.0 108.024 177.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -78.85 145.42 34.24 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 170.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 80.5 t -141.9 140.48 30.15 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.242 0 N-CA-C 106.722 -1.584 . . . . 0.0 106.722 174.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 5.6 mt -77.41 149.17 35.17 Favored 'General case' 0 CA--C 1.512 -0.514 0 O-C-N 121.972 -0.455 . . . . 0.0 111.617 177.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -54.73 -39.36 67.04 Favored Glycine 0 C--N 1.335 0.524 0 C-N-CA 124.743 1.164 . . . . 0.0 112.426 -175.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.01 -31.47 63.11 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-N 117.974 0.887 . . . . 0.0 111.743 177.131 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -98.54 23.81 8.16 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.676 1.59 . . . . 0.0 112.996 -173.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -127.38 132.59 69.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 N-CA-C 105.717 -1.957 . . . . 0.0 105.717 178.309 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 55.1 mt -113.15 106.34 14.53 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 127.688 2.395 . . . . 0.0 104.833 -172.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.12 -2.74 26.89 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 116.223 1.934 . . . . 0.0 116.223 -169.176 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 20.8 p -133.41 54.54 1.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 105.899 -1.889 . . . . 0.0 105.899 -176.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 52.0 t0 -120.4 61.22 8.22 Favored Pre-proline 0 CA--C 1.538 0.506 0 N-CA-C 116.626 2.084 . . . . 0.0 116.626 -167.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -71.92 122.75 8.75 Favored 'Trans proline' 0 CA--C 1.545 1.026 1 N-CA-C 100.367 -4.513 . . . . 0.0 100.367 165.429 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 5.2 mm -60.06 120.76 53.55 Favored Pre-proline 0 CA--C 1.541 0.608 0 CA-C-N 119.779 1.172 . . . . 0.0 109.358 -167.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -61.9 144.66 96.83 Favored 'Trans proline' 0 N--CA 1.453 -0.903 0 C-N-CA 122.052 1.835 . . . . 0.0 110.486 178.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 4.2 mp -60.18 147.69 38.93 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 169.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 23.9 t70 75.69 -5.83 2.1 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 127.554 2.342 . . . . 0.0 113.694 -174.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 22.4 m -68.86 133.04 47.71 Favored 'General case' 0 C--O 1.238 0.494 0 O-C-N 120.971 -1.081 . . . . 0.0 108.333 171.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -75.69 136.21 40.38 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 169.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 2.4 m -146.2 159.62 11.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 C-N-CA 124.489 1.115 . . . . 0.0 109.328 -175.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 3.5 m -89.42 128.18 35.91 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 105.117 -2.179 . . . . 0.0 105.117 169.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -94.13 140.74 29.37 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 171.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.43 99.17 3.77 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.67 0.788 . . . . 0.0 110.049 -170.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 6.1 m -62.39 121.22 12.67 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 103.886 -2.635 . . . . 0.0 103.886 169.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -44.6 -26.45 0.37 Allowed 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 127.115 2.166 . . . . 0.0 116.658 -167.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 26.9 t70 -70.21 -44.82 67.85 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 119.466 1.03 . . . . 0.0 111.973 177.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 175.38 -26.54 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.692 1.597 . . . . 0.0 113.975 176.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -53.79 120.5 6.35 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 118.97 0.805 . . . . 0.0 111.153 -169.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 1.8 t80 -115.52 133.3 56.16 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 125.005 1.322 . . . . 0.0 110.375 -168.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 6.1 p -152.41 177.1 10.96 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 125.67 1.588 . . . . 0.0 109.141 171.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -134.42 156.13 49.09 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 119.415 1.007 . . . . 0.0 110.536 169.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -171.46 -160.63 20.44 Favored Glycine 0 CA--C 1.525 0.669 0 C-N-CA 126.277 1.894 . . . . 0.0 108.552 -171.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 4.5 t -131.9 141.74 44.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-N 118.561 1.18 . . . . 0.0 109.623 -173.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 73.9 t -65.04 125.25 21.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 171.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 81.7 mttt -131.16 20.67 4.87 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 119.451 1.023 . . . . 0.0 111.544 169.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 178.98 179.17 48.64 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.568 -0.613 . . . . 0.0 111.568 170.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 8.5 m80 -141.64 153.95 45.06 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 126.731 2.013 . . . . 0.0 110.778 -172.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -148.18 159.4 43.99 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 170.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 14.4 mmtp -127.06 127.6 44.96 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 106.031 -1.84 . . . . 0.0 106.031 169.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -149.92 138.34 20.62 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 -175.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 24.4 m 50.64 30.74 5.11 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.397 1.079 . . . . 0.0 113.001 -177.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 64.95 34.76 90.74 Favored Glycine 0 CA--C 1.532 1.1 0 C-N-CA 123.692 0.663 . . . . 0.0 112.192 -177.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -139.94 153.61 46.98 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 125.005 1.322 . . . . 0.0 107.892 -176.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 30.0 tp -96.92 133.4 41.61 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 124.248 1.019 . . . . 0.0 112.285 -169.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -128.21 158.56 37.76 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 125.937 1.695 . . . . 0.0 109.916 -176.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -141.04 131.8 25.77 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 -174.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.1 p -89.67 100.82 13.54 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 105.022 -2.214 . . . . 0.0 105.022 169.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 39.1 mm -80.43 126.99 39.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 106.604 -1.628 . . . . 0.0 106.604 177.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -87.19 126.12 34.6 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 104.795 -2.298 . . . . 0.0 104.795 168.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -145.51 134.79 22.94 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 105.241 -2.133 . . . . 0.0 105.241 -173.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 51.55 33.14 9.99 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.305 0.957 . . . . 0.0 112.6 -176.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 71.66 19.5 77.98 Favored Glycine 0 CA--C 1.532 1.116 0 CA-C-O 119.114 -0.826 . . . . 0.0 113.765 176.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -141.61 164.55 29.92 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.921 1.289 . . . . 0.0 108.325 177.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -112.41 142.77 44.55 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 119.577 1.08 . . . . 0.0 111.007 -169.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -143.21 132.28 23.03 Favored 'General case' 0 N--CA 1.461 0.075 0 N-CA-C 106.85 -1.537 . . . . 0.0 106.85 -171.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 88.1 m95 -81.06 130.16 34.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 118.63 0.65 . . . . 0.0 109.95 177.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -133.32 166.73 21.82 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.058 1.343 . . . . 0.0 107.497 169.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -115.43 167.6 10.73 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.999 1.32 . . . . 0.0 110.3 -178.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 23.5 ttp-105 -42.96 -56.39 3.32 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 119.966 1.257 . . . . 0.0 113.516 -172.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 1.9 ppp? -73.44 -12.26 60.74 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 120.71 1.595 . . . . 0.0 113.899 -175.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -92.36 -3.01 55.98 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.928 1.691 . . . . 0.0 110.936 169.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 58.2 t -120.98 89.82 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.586 0 N-CA-C 106.166 -1.79 . . . . 0.0 106.166 175.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 8.6 pt -108.15 166.04 4.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 -173.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 6.0 mt -111.41 120.07 40.94 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 -173.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 1.2 m -58.76 149.0 27.58 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 107.307 -1.368 . . . . 0.0 107.307 169.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.0 pp -53.13 -41.83 65.43 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 -168.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -66.13 -33.11 75.03 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.117 0.484 . . . . 0.0 109.811 -177.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -77.51 -47.78 18.69 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 -178.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -52.32 -37.04 47.12 Favored Glycine 0 C--N 1.34 0.771 0 CA-C-N 118.541 0.609 . . . . 0.0 112.054 173.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -58.48 -45.46 88.63 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 117.863 0.832 . . . . 0.0 111.743 176.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -64.05 -18.19 64.1 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 123.001 0.52 . . . . 0.0 112.09 -178.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.3 mp -94.29 -29.58 14.98 Favored 'General case' 0 C--N 1.341 0.205 0 C-N-CA 124.17 0.988 . . . . 0.0 110.386 173.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -56.22 -39.0 71.82 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 124.873 1.269 . . . . 0.0 111.955 -175.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -59.55 -20.34 54.95 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 118.183 -0.913 . . . . 0.0 113.46 178.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -114.42 -47.73 2.91 Favored 'General case' 0 C--N 1.345 0.396 0 CA-C-N 120.091 1.314 . . . . 0.0 111.822 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.6 m-30 -91.68 -10.03 41.71 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 124.587 1.155 . . . . 0.0 112.507 -170.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -51.7 129.95 34.61 Favored Glycine 0 CA--C 1.529 0.962 0 C-N-CA 125.597 1.57 . . . . 0.0 110.442 175.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 1.2 mt -64.76 -42.53 95.06 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 118.098 0.949 . . . . 0.0 109.473 173.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.227 0 N-CA-C 109.093 -1.603 . . . . 0.0 109.093 -173.977 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 363' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 . . . . . 0 N--CA 1.493 1.679 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -118.98 -31.6 4.7 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.79 0.836 . . . . 0.0 111.546 172.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 365' ' ' HIS . . . . . . . . . . . . . 39.8 t60 -156.41 166.38 33.58 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 126.258 1.823 . . . . 0.0 107.249 177.038 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 366' ' ' SER . . . . . . . . . . . . . 64.8 m -74.45 -174.47 2.05 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 118.342 0.519 . . . . 0.0 111.212 170.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 6.9 m -58.47 -28.08 65.01 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.608 1.163 . . . . 0.0 113.083 179.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 368' ' ' HIS . . . . . . . . . . . . . 10.4 t60 47.38 -105.01 0.12 Allowed 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 126.043 1.737 . . . . 0.0 110.25 -173.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 369' ' ' LEU . . . . . 0.605 ' HG ' ' H ' ' B' ' 371' ' ' SER . 14.8 tp -157.81 145.95 18.9 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 124.508 1.123 . . . . 0.0 108.235 -171.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 370' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.531 0 C-N-CA 126.386 1.874 . . . . 0.0 110.434 172.515 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 371' ' ' SER . . . . . 0.605 ' H ' ' HG ' ' B' ' 369' ' ' LEU 0.351 3.1 p 45.19 23.31 0.1 Allowed 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 129.79 3.236 . . . . 0.0 114.618 -169.686 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 372' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -142.26 -63.59 0.43 Allowed 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 104.531 -2.396 . . . . 0.0 104.531 169.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 373' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -74.31 143.05 45.12 Favored 'General case' 0 C--N 1.34 0.191 0 N-CA-C 105.946 -1.872 . . . . 0.0 105.946 168.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 374' ' ' GLY . . . . . . . . . . . . . . . 116.07 -62.85 0.36 Allowed Glycine 0 CA--C 1.519 0.306 0 N-CA-C 109.202 -1.559 . . . . 0.0 109.202 176.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 15.5 pm0 -72.59 -23.0 60.89 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 118.077 0.938 . . . . 0.0 111.611 171.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 25.2 m -142.61 176.3 9.14 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.44 1.896 . . . . 0.0 108.343 177.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 16.1 m . . . . . 0 C--O 1.253 1.265 0 N-CA-C 106.835 -1.543 . . . . 0.0 106.835 175.489 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.732 0 CA-C-O 121.23 0.35 . . . . 0.0 112.413 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -150.2 154.24 37.64 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 125.135 1.374 . . . . 0.0 108.793 179.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 76.8 mtm -144.75 -48.18 0.25 Allowed 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 124.209 1.004 . . . . 0.0 110.254 176.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -156.07 154.78 31.51 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 125.331 1.453 . . . . 0.0 107.498 178.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 45.2 m -49.88 -47.87 51.67 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.792 1.237 . . . . 0.0 113.297 176.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -151.84 -50.4 0.11 Allowed 'General case' 0 C--O 1.223 -0.292 0 C-N-CA 123.078 0.551 . . . . 0.0 110.823 -170.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 6.0 t -61.8 116.74 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 C-N-CA 125.558 1.543 . . . . 0.0 108.738 -172.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 110.29 -19.85 26.46 Favored Glycine 0 CA--C 1.53 0.983 0 C-N-CA 124.863 1.22 . . . . 0.0 112.749 179.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 10.0 mp -74.89 138.8 42.68 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 118.863 1.331 . . . . 0.0 110.594 -173.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 71.0 mtm180 -76.79 125.4 29.21 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 106.124 -1.806 . . . . 0.0 106.124 168.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 18.4 m -145.7 -170.29 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 C-N-CA 125.773 1.629 . . . . 0.0 107.85 -174.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 5.3 t -126.54 149.01 31.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 105.524 -2.028 . . . . 0.0 105.524 170.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -146.27 150.73 36.34 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 124.474 1.11 . . . . 0.0 108.56 -169.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 74.4 tttt -83.08 128.21 34.27 Favored 'General case' 0 CA--C 1.508 -0.641 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 178.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 42.1 t-105 -68.53 125.81 27.66 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 169.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 1.4 m -56.76 -24.26 48.8 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 116.79 2.144 . . . . 0.0 116.79 -168.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 7.6 m -80.41 51.34 1.42 Allowed 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 120.312 1.415 . . . . 0.0 111.174 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 66.7 t30 43.97 45.46 6.55 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 127.142 2.177 . . . . 0.0 112.758 -171.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -91.17 -174.27 43.67 Favored Glycine 0 C--N 1.338 0.657 0 CA-C-O 122.177 0.876 . . . . 0.0 113.1 -174.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 14.3 m-30 -72.04 169.3 16.27 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 125.375 1.47 . . . . 0.0 110.582 169.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -85.18 109.99 18.69 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 107.078 -1.453 . . . . 0.0 107.078 172.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -101.52 149.13 24.4 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 124.539 1.136 . . . . 0.0 108.385 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 7.1 m -71.88 147.55 46.99 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 122.979 0.512 . . . . 0.0 110.257 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -171.26 -176.83 40.64 Favored Glycine 0 CA--C 1.522 0.521 0 CA-C-O 121.663 0.591 . . . . 0.0 112.17 -174.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 39.4 mtmt -131.54 128.11 38.6 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 106.265 -1.754 . . . . 0.0 106.265 -171.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 14.2 mt -72.02 134.78 29.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 -179.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 49.4 p -109.24 -36.05 6.13 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 122.865 0.466 . . . . 0.0 110.8 -172.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -167.78 142.86 3.77 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.953 0.901 . . . . 0.0 111.103 175.206 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 5.9 t0 -70.4 102.35 2.16 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 124.859 1.263 . . . . 0.0 107.672 168.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.5 t -64.0 -50.73 75.93 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 N-CA-C 108.995 -0.742 . . . . 0.0 108.995 -175.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 146.45 163.96 10.7 Favored Glycine 0 C--N 1.337 0.616 0 N-CA-C 109.78 -1.328 . . . . 0.0 109.78 179.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 60.08 5.79 0.84 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.265 1.426 . . . . 0.0 114.677 178.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 105.76 -6.75 41.29 Favored Glycine 0 C--N 1.34 0.754 0 C-N-CA 124.91 1.243 . . . . 0.0 111.254 -173.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -74.85 139.07 42.94 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 120.482 2.141 . . . . 0.0 107.945 169.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -127.91 137.14 52.19 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 105.149 -2.167 . . . . 0.0 105.149 169.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -83.7 137.87 33.57 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 176.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 2.9 mm? -124.98 118.18 25.67 Favored 'General case' 0 CA--C 1.511 -0.54 0 C-N-CA 124.916 1.286 . . . . 0.0 108.669 -169.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 46.5 tp -83.74 94.56 8.18 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 104.402 -2.444 . . . . 0.0 104.402 169.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -58.89 154.15 15.77 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 173.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -68.85 -21.89 64.25 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.862 -0.524 . . . . 0.0 112.037 -173.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 34.9 p-10 -76.34 0.88 17.87 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.747 1.219 . . . . 0.0 112.438 170.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 94.94 -0.91 64.85 Favored Glycine 0 CA--C 1.53 1.026 0 C-N-CA 125.803 1.668 . . . . 0.0 113.818 169.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -75.47 156.64 35.03 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.04 0.92 . . . . 0.0 109.128 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -141.06 118.08 11.2 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 -178.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 97.7 m -142.56 164.28 30.54 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 125.228 1.411 . . . . 0.0 107.906 173.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -80.6 143.08 33.44 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 170.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 79.2 t -140.33 139.67 35.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 106.666 -1.605 . . . . 0.0 106.666 176.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 5.8 mt -76.22 150.74 37.02 Favored 'General case' 0 C--O 1.22 -0.451 0 C-N-CA 123.376 0.67 . . . . 0.0 112.012 179.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -55.72 -38.11 71.39 Favored Glycine 0 C--N 1.334 0.46 0 C-N-CA 124.559 1.076 . . . . 0.0 112.954 -177.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -26.08 64.33 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 118.275 1.037 . . . . 0.0 112.454 176.016 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -97.86 18.36 16.02 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.267 1.427 . . . . 0.0 112.542 -174.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -128.95 136.03 60.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 N-CA-C 106.469 -1.678 . . . . 0.0 106.469 -178.007 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 67.7 mt -117.12 114.32 23.54 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 104.284 -2.488 . . . . 0.0 104.284 -173.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.88 -2.87 15.05 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 116.27 1.952 . . . . 0.0 116.27 -169.524 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 24.4 p -130.29 56.21 1.77 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 104.423 -2.436 . . . . 0.0 104.423 179.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1536 ' ' ASP . . . . . 0.419 ' CG ' HH21 ' A' 1583 ' ' ARG . 5.7 p-10 -98.96 15.75 0.05 OUTLIER Pre-proline 0 CA--C 1.542 0.639 0 N-CA-C 121.034 3.716 . . . . 0.0 121.034 -167.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -55.12 117.45 4.04 Favored 'Trans proline' 0 C--N 1.354 0.858 0 CA-C-N 125.177 2.885 . . . . 0.0 106.311 169.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 4.7 mm -60.94 125.19 82.91 Favored Pre-proline 0 CA--C 1.54 0.561 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 -168.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -62.76 142.11 87.77 Favored 'Trans proline' 0 N--CA 1.456 -0.726 0 C-N-CA 121.918 1.745 . . . . 0.0 110.121 173.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 3.9 mp -57.7 148.44 24.65 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 169.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 23.1 t70 75.57 -6.07 2.05 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.98 2.112 . . . . 0.0 113.436 -176.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 23.0 m -68.96 138.48 54.61 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 169.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -82.86 140.1 33.09 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 107.143 -1.428 . . . . 0.0 107.143 172.195 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 1.7 m -147.24 160.38 8.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 C-N-CA 124.289 1.036 . . . . 0.0 108.739 -174.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 3.6 m -89.23 130.86 35.57 Favored 'General case' 0 N--CA 1.441 -0.891 0 N-CA-C 105.251 -2.129 . . . . 0.0 105.251 169.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -96.21 140.42 30.92 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 107.436 -1.32 . . . . 0.0 107.436 170.045 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.39 99.75 4.05 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 -171.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 11.9 m -60.15 121.7 12.57 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 103.968 -2.604 . . . . 0.0 103.968 168.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -45.38 -32.37 2.05 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 125.669 1.587 . . . . 0.0 114.975 -168.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 38.8 t70 -67.9 -39.59 83.57 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 117.722 -1.132 . . . . 0.0 113.019 -179.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 173.58 -30.38 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.444 1.498 . . . . 0.0 114.757 173.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -54.82 128.86 34.94 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 123.89 0.876 . . . . 0.0 112.035 -168.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 2.7 t80 -124.25 127.35 47.55 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 124.897 1.279 . . . . 0.0 111.703 -168.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 4.0 p -151.75 177.49 10.34 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.154 1.382 . . . . 0.0 109.291 169.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -132.27 156.24 46.87 Favored 'General case' 0 CA--C 1.532 0.275 0 O-C-N 120.621 -1.299 . . . . 0.0 110.995 173.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.42 -163.09 23.87 Favored Glycine 0 CA--C 1.525 0.694 0 C-N-CA 126.508 2.004 . . . . 0.0 108.892 -170.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 4.0 t -130.54 142.52 43.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-N 119.127 1.464 . . . . 0.0 109.71 -171.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 85.9 t -66.54 126.17 25.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 173.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 87.3 mttt -133.21 21.07 4.04 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.878 0.871 . . . . 0.0 111.422 169.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -178.41 173.64 46.01 Favored Glycine 0 C--N 1.34 0.755 0 O-C-N 121.337 -0.852 . . . . 0.0 112.04 169.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 13.1 m80 -138.85 152.95 48.25 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 126.525 1.93 . . . . 0.0 110.166 -175.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 33.5 ttt85 -146.39 156.15 43.11 Favored 'General case' 0 C--O 1.231 0.09 0 N-CA-C 106.886 -1.524 . . . . 0.0 106.886 169.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 11.4 mmtp -127.18 134.27 50.18 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 106.176 -1.786 . . . . 0.0 106.176 170.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -148.39 124.42 10.7 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 107.505 -1.295 . . . . 0.0 107.505 -177.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 19.2 m 49.08 37.05 9.83 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.835 1.254 . . . . 0.0 114.182 173.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 76.77 23.38 69.82 Favored Glycine 0 CA--C 1.534 1.222 0 CA-C-O 119.524 -0.598 . . . . 0.0 112.867 178.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -129.6 153.89 47.62 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 125.522 1.529 . . . . 0.0 107.015 178.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 49.6 tp -114.14 136.97 52.36 Favored 'General case' 0 CA--C 1.518 -0.283 0 C-N-CA 124.073 0.949 . . . . 0.0 109.631 -168.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -130.35 157.17 43.28 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 125.743 1.617 . . . . 0.0 109.431 -172.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -141.38 132.76 26.7 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 -174.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 14.9 t -82.57 106.95 14.84 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 102.202 -3.259 . . . . 0.0 102.202 168.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 25.8 mm -88.9 123.59 41.25 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 N-CA-C 105.418 -2.067 . . . . 0.0 105.418 171.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -84.4 118.31 24.17 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 104.047 -2.575 . . . . 0.0 104.047 168.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -144.45 135.11 24.79 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 105.405 -2.072 . . . . 0.0 105.405 -169.512 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 50.83 34.18 9.82 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 119.269 0.94 . . . . 0.0 112.066 -170.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 69.69 20.27 75.63 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 119.048 -0.862 . . . . 0.0 113.932 176.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -142.19 157.27 45.05 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 118.598 1.199 . . . . 0.0 108.98 178.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -98.11 132.36 43.71 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.635 0.774 . . . . 0.0 109.227 -169.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -140.83 128.88 22.04 Favored 'General case' 0 N--CA 1.457 -0.078 0 N-CA-C 106.758 -1.571 . . . . 0.0 106.758 -169.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 92.8 m95 -81.19 124.56 29.38 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 177.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -126.24 162.56 25.17 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 169.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -107.82 167.09 10.22 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.648 1.179 . . . . 0.0 110.591 -176.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1583 ' ' ARG . . . . . 0.419 HH21 ' CG ' ' A' 1536 ' ' ASP . 72.1 ttt180 -49.38 -44.17 44.73 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 119.905 1.229 . . . . 0.0 113.638 -176.611 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1584 ' ' MET . . . . . 0.414 ' HE1' ' CE1' ' B' ' 368' ' ' HIS . 0.1 OUTLIER -72.99 -18.33 61.37 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 121.518 1.963 . . . . 0.0 113.934 178.325 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -95.27 -4.3 45.9 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 126.75 2.02 . . . . 0.0 110.825 176.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 87.7 t -120.21 90.39 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 N-CA-C 104.269 -2.493 . . . . 0.0 104.269 179.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 11.7 pt -110.91 159.17 11.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 106.566 -1.642 . . . . 0.0 106.566 -171.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 3.3 mt -103.44 114.24 28.37 Favored 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 -174.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.11 145.69 12.86 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 169.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.4 pp -53.71 -37.75 63.59 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 114.182 1.178 . . . . 0.0 114.182 -168.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 31.2 tp10 -66.78 -37.65 85.0 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 121.647 -0.658 . . . . 0.0 110.146 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -71.51 -49.25 42.82 Favored 'General case' 0 C--O 1.224 -0.246 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 -178.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -63.03 -28.37 71.97 Favored Glycine 0 C--N 1.34 0.765 0 CA-C-O 119.178 -0.79 . . . . 0.0 111.99 -178.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -59.84 -43.19 94.73 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 118.832 1.316 . . . . 0.0 111.615 173.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 20.3 mtt-85 -63.56 -16.92 62.15 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.546 0.572 . . . . 0.0 112.546 177.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 9.0 mp -93.99 -29.69 15.1 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 124.288 1.035 . . . . 0.0 110.708 171.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 67.5 ttp85 -57.58 -38.86 75.55 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.578 1.151 . . . . 0.0 111.642 -175.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -58.32 -21.6 49.99 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 118.144 -0.931 . . . . 0.0 113.15 178.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -115.16 -45.98 2.92 Favored 'General case' 0 C--N 1.346 0.43 0 CA-C-N 119.905 1.23 . . . . 0.0 112.243 178.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 9.2 m-30 -92.55 -8.68 43.73 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 124.482 1.113 . . . . 0.0 112.777 -169.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -53.14 131.34 41.59 Favored Glycine 0 CA--C 1.527 0.827 0 C-N-CA 125.791 1.662 . . . . 0.0 110.881 175.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.07 -41.92 90.08 Favored 'General case' 0 C--N 1.342 0.244 0 CA-C-N 118.497 1.148 . . . . 0.0 109.288 173.496 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.094 0 CA-C-O 117.325 -1.82 . . . . 0.0 111.35 -173.736 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 363' ' ' ARG . . . . . . . . . . . . . 35.3 ptt180 . . . . . 0 N--CA 1.493 1.675 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -130.05 136.92 49.91 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 106.035 -1.839 . . . . 0.0 106.035 169.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 365' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -73.42 172.02 12.03 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 123.423 0.689 . . . . 0.0 110.936 -176.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 366' ' ' SER . . . . . . . . . . . . . 8.3 m -59.85 178.69 0.16 Allowed 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.914 1.686 . . . . 0.0 111.897 169.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 14.7 m -69.83 57.47 0.14 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 127.069 2.147 . . . . 0.0 113.491 -176.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 368' ' ' HIS . . . . . 0.414 ' CE1' ' HE1' ' A' 1584 ' ' MET . 3.8 t60 -54.66 152.15 7.3 Favored 'General case' 0 C--O 1.238 0.483 0 O-C-N 121.049 -1.032 . . . . 0.0 111.154 -179.355 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 369' ' ' LEU . . . . . 0.428 ' HG ' ' H ' ' B' ' 371' ' ' SER . 3.2 tp -53.3 141.74 23.24 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 113.913 -1.494 . . . . 0.0 108.489 169.233 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 370' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.37 0 C-N-CA 124.253 1.021 . . . . 0.0 111.186 178.732 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 371' ' ' SER . . . . . 0.428 ' H ' ' HG ' ' B' ' 369' ' ' LEU 0.259 3.5 p 43.77 39.64 2.64 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 128.174 2.59 . . . . 0.0 113.296 177.598 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 372' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -64.85 162.2 16.74 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 124.043 0.937 . . . . 0.0 110.436 -179.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 373' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -57.03 -29.35 63.3 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 175.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 374' ' ' GLY . . . . . . . . . . . . . . . -75.3 -31.82 56.55 Favored Glycine 0 CA--C 1.533 1.211 0 CA-C-O 119.643 -0.532 . . . . 0.0 112.606 178.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -79.56 -31.93 42.01 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 117.925 0.863 . . . . 0.0 110.507 175.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 35.0 m -64.9 159.96 21.59 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.145 0.978 . . . . 0.0 111.339 175.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 6.6 m . . . . . 0 C--O 1.255 1.363 0 C-N-CA 124.173 0.989 . . . . 0.0 109.218 172.405 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.735 0 N-CA-C 112.144 -0.382 . . . . 0.0 112.144 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -68.72 169.15 11.79 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 122.001 -0.705 . . . . 0.0 111.08 176.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 38.6 mmt -61.62 167.18 3.65 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.47 1.108 . . . . 0.0 111.194 171.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 43.5 t30 -137.84 159.11 42.87 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 125.673 1.589 . . . . 0.0 109.045 -178.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 16.6 m -62.51 94.28 0.06 Allowed 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.715 1.206 . . . . 0.0 110.119 175.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 89.5 m-85 67.76 -65.29 0.25 Allowed 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 128.015 2.526 . . . . 0.0 113.596 171.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 5.2 t -57.51 113.29 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 C-N-CA 125.457 1.503 . . . . 0.0 108.656 -174.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 117.83 -23.36 9.47 Favored Glycine 0 CA--C 1.533 1.194 0 C-N-CA 125.671 1.605 . . . . 0.0 112.536 178.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 8.8 mp -75.24 139.61 42.68 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 118.904 1.352 . . . . 0.0 111.329 -172.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 49.8 mtp180 -79.52 127.03 31.64 Favored 'General case' 0 CA--C 1.529 0.148 0 N-CA-C 105.166 -2.161 . . . . 0.0 105.166 167.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 18.5 m -143.44 -178.29 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 C-N-CA 125.778 1.631 . . . . 0.0 107.181 -174.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 5.0 t -115.52 143.67 24.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 104.945 -2.243 . . . . 0.0 104.945 169.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -146.47 153.15 40.1 Favored 'General case' 0 CA--C 1.516 -0.328 0 C-N-CA 123.815 0.846 . . . . 0.0 108.935 -169.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 84.1 tttt -80.74 133.84 35.73 Favored 'General case' 0 CA--C 1.509 -0.601 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 178.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 13.6 t-105 -76.47 101.52 5.64 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 105.258 -2.127 . . . . 0.0 105.258 169.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.71 -33.35 66.4 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.7 1.6 . . . . 0.0 113.765 -169.698 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 6.6 m -76.26 -5.92 49.11 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 -173.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 10.5 t30 -148.59 -47.83 0.15 Allowed 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.926 1.239 . . . . 0.0 112.588 173.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . 133.3 178.28 15.47 Favored Glycine 0 CA--C 1.527 0.838 0 C-N-CA 124.1 0.857 . . . . 0.0 111.34 -171.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 3.5 m-30 72.0 151.32 0.11 Allowed 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 129.195 2.998 . . . . 0.0 110.633 -172.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -111.51 119.77 39.88 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 -169.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -116.39 154.09 30.88 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 125.029 1.331 . . . . 0.0 108.549 -172.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 5.3 m -65.17 144.19 57.37 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 123.055 0.542 . . . . 0.0 110.742 173.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -169.29 178.97 42.18 Favored Glycine 0 N--CA 1.451 -0.344 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 178.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -125.34 128.36 48.08 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 125.67 1.588 . . . . 0.0 106.729 -173.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 20.4 mt -73.03 128.94 36.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 106.762 -1.57 . . . . 0.0 106.762 -178.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 69.5 p -104.6 -36.11 7.6 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 123.027 0.531 . . . . 0.0 110.178 -170.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -167.33 141.67 3.76 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.987 0.915 . . . . 0.0 111.535 176.599 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 7.2 t0 -70.06 103.68 2.35 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 125.06 1.344 . . . . 0.0 107.601 168.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.6 t -65.63 -50.47 71.36 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 C-N-CA 123.631 0.772 . . . . 0.0 109.311 -176.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 149.2 162.94 10.66 Favored Glycine 0 C--N 1.337 0.639 0 N-CA-C 109.65 -1.38 . . . . 0.0 109.65 177.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.61 11.2 0.82 Allowed 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 115.11 1.522 . . . . 0.0 115.11 177.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 102.32 -4.94 51.83 Favored Glycine 0 CA--C 1.524 0.632 0 C-N-CA 124.891 1.234 . . . . 0.0 111.545 -176.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 11.5 mtpp -75.44 133.99 40.98 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 120.606 2.203 . . . . 0.0 106.49 169.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -124.98 138.76 54.22 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 105.659 -1.978 . . . . 0.0 105.659 169.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -84.37 138.35 32.91 Favored 'General case' 0 CA--C 1.512 -0.506 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 176.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.2 mm? -125.65 118.47 25.73 Favored 'General case' 0 CA--C 1.512 -0.494 0 C-N-CA 125.018 1.327 . . . . 0.0 108.945 -169.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 41.1 tp -84.1 93.62 8.16 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 105.108 -2.182 . . . . 0.0 105.108 169.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -57.52 151.3 17.07 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 123.065 0.546 . . . . 0.0 109.567 174.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -69.32 -19.77 63.87 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.555 -171.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 38.1 p30 -80.49 2.49 25.08 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.026 1.331 . . . . 0.0 112.493 170.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 102.02 -3.79 52.13 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 125.502 1.525 . . . . 0.0 114.59 169.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -82.07 158.6 23.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 118.641 1.22 . . . . 0.0 110.476 -174.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -141.04 117.71 10.96 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 -176.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 99.5 m -144.68 167.97 21.3 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 126.257 1.823 . . . . 0.0 107.952 174.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -97.86 144.17 27.72 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 123.779 0.832 . . . . 0.0 109.931 177.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 86.1 t -144.41 136.16 21.76 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.367 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -170.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.9 mt -72.99 151.59 41.72 Favored 'General case' 0 CA--C 1.511 -0.53 0 C-N-CA 122.941 0.497 . . . . 0.0 111.528 178.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -56.67 -33.58 63.1 Favored Glycine 0 CA--C 1.526 0.752 0 C-N-CA 124.013 0.816 . . . . 0.0 112.896 178.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.16 -12.97 14.53 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.746 0.819 . . . . 0.0 112.781 174.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -120.77 22.61 11.08 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 126.233 1.813 . . . . 0.0 110.595 -173.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -133.1 137.7 53.04 Favored 'Isoleucine or valine' 0 C--N 1.346 0.427 0 N-CA-C 106.86 -1.533 . . . . 0.0 106.86 179.125 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 72.6 mt -119.25 114.09 21.87 Favored 'General case' 0 CA--C 1.52 -0.207 0 N-CA-C 104.481 -2.414 . . . . 0.0 104.481 -176.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.06 -3.73 17.17 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 116.586 2.069 . . . . 0.0 116.586 -168.754 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 17.2 p -132.21 49.06 2.35 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 106.793 -1.558 . . . . 0.0 106.793 -177.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 50.7 t0 -115.76 65.14 2.43 Favored Pre-proline 0 C--O 1.238 0.462 0 N-CA-C 116.351 1.982 . . . . 0.0 116.351 -168.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -73.37 123.41 8.68 Favored 'Trans proline' 0 CA--C 1.544 0.981 1 N-CA-C 100.073 -4.626 . . . . 0.0 100.073 165.314 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 5.2 mm -59.54 121.0 53.84 Favored Pre-proline 0 CA--C 1.541 0.597 0 CA-C-N 119.506 1.048 . . . . 0.0 109.307 -167.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -62.35 145.93 95.81 Favored 'Trans proline' 0 N--CA 1.451 -0.978 0 C-N-CA 121.776 1.651 . . . . 0.0 110.461 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 4.2 mp -60.52 148.45 37.81 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 169.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 25.3 t70 73.28 -4.83 2.1 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 127.16 2.184 . . . . 0.0 113.712 -175.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 25.0 m -68.72 132.53 46.99 Favored 'General case' 0 C--O 1.238 0.483 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 172.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -75.87 136.91 40.14 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 106.985 -1.487 . . . . 0.0 106.985 169.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 2.6 m -148.55 162.54 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 C-N-CA 124.559 1.144 . . . . 0.0 109.695 -174.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 3.5 m -89.13 130.19 35.61 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 105.821 -1.918 . . . . 0.0 105.821 169.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -97.07 138.64 34.28 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 171.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.4 99.29 3.8 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 123.55 0.74 . . . . 0.0 110.567 -169.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 18.4 m -61.93 122.93 16.67 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 104.258 -2.497 . . . . 0.0 104.258 169.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -51.63 -23.24 4.09 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 116.19 1.922 . . . . 0.0 116.19 -168.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 35.5 t70 -65.77 -53.41 40.79 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 119.259 0.936 . . . . 0.0 110.901 174.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -178.8 -20.67 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 169.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -53.2 126.37 20.7 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 119.93 1.241 . . . . 0.0 111.551 -169.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 11.2 t80 -122.45 128.52 50.98 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 124.339 1.056 . . . . 0.0 111.393 -168.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 2.6 p -151.63 176.92 10.88 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.956 1.302 . . . . 0.0 109.208 169.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -131.18 153.6 49.26 Favored 'General case' 0 CA--C 1.529 0.172 0 O-C-N 121.194 -0.941 . . . . 0.0 110.484 170.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -168.49 -159.65 14.6 Favored Glycine 0 CA--C 1.525 0.678 0 C-N-CA 126.414 1.959 . . . . 0.0 108.38 -169.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.3 t -132.67 142.02 43.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 CA-C-N 118.831 1.315 . . . . 0.0 110.109 -173.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 63.8 t -65.54 128.37 28.26 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.145 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 171.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 81.4 mttt -130.68 16.51 5.32 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.256 0.935 . . . . 0.0 111.941 169.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 179.77 179.74 48.79 Favored Glycine 0 C--N 1.335 0.513 0 O-C-N 121.458 -0.776 . . . . 0.0 111.942 172.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 9.0 m80 -141.97 155.65 45.45 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 126.378 1.871 . . . . 0.0 110.948 -173.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 56.9 ttt180 -150.62 160.93 43.47 Favored 'General case' 0 CA--C 1.526 0.035 0 C-N-CA 125.673 1.589 . . . . 0.0 107.595 170.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 11.3 mmtp -128.61 125.88 39.08 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 105.9 -1.889 . . . . 0.0 105.9 169.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -151.46 139.26 19.84 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 -175.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 30.8 m 50.46 29.62 4.08 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.597 1.159 . . . . 0.0 113.712 177.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 67.89 33.75 80.51 Favored Glycine 0 CA--C 1.533 1.158 0 O-C-N 121.45 -0.781 . . . . 0.0 112.346 -178.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -138.01 153.04 49.42 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 106.607 -1.627 . . . . 0.0 106.607 176.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 37.8 tp -96.89 132.01 43.07 Favored 'General case' 0 N--CA 1.444 -0.771 0 C-N-CA 125.474 1.51 . . . . 0.0 108.365 -174.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -124.27 155.76 38.07 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 125.234 1.414 . . . . 0.0 108.903 -173.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -140.13 127.43 21.23 Favored 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 106.119 -1.808 . . . . 0.0 106.119 -173.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.1 p -85.2 96.77 9.59 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 104.688 -2.338 . . . . 0.0 104.688 169.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 40.9 mm -77.41 133.55 30.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 105.865 -1.902 . . . . 0.0 105.865 176.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -96.45 129.34 43.83 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 105.227 -2.138 . . . . 0.0 105.227 168.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 25.4 ttpt -144.7 141.17 29.1 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 105.642 -1.984 . . . . 0.0 105.642 178.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 52.45 25.31 3.46 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 119.466 1.03 . . . . 0.0 113.106 -177.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 71.2 22.79 78.53 Favored Glycine 0 CA--C 1.531 1.091 0 O-C-N 121.436 -0.79 . . . . 0.0 113.142 -179.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -129.33 147.39 51.16 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 173.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 82.3 mtm-85 -98.71 136.16 39.17 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 -178.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -140.14 130.43 25.21 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 106.342 -1.725 . . . . 0.0 106.342 -169.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 88.5 m95 -80.49 130.72 35.32 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 178.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -132.74 161.57 33.68 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.869 1.268 . . . . 0.0 107.756 169.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -105.57 165.85 10.86 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.918 1.287 . . . . 0.0 109.736 -177.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 46.0 ttt180 -49.89 -49.33 50.01 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-N 120.327 1.422 . . . . 0.0 112.896 -173.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 3.1 ppp? -70.29 -14.86 62.78 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 120.414 1.461 . . . . 0.0 114.135 -179.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -93.79 -2.86 53.05 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 126.227 1.811 . . . . 0.0 110.825 172.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 60.7 t -119.79 91.38 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.621 0 N-CA-C 105.796 -1.928 . . . . 0.0 105.796 177.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 8.2 pt -112.84 168.13 5.53 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 -172.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 5.1 mt -121.07 124.5 44.94 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 -171.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 5.0 m -61.38 148.12 42.61 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 106.507 -1.664 . . . . 0.0 106.507 169.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.7 pp -55.79 -37.61 68.81 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.467 -0.771 . . . . 0.0 112.702 -169.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -77.41 -23.52 50.62 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 121.633 -0.667 . . . . 0.0 110.745 -175.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -71.65 -49.29 41.25 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 107.159 -1.423 . . . . 0.0 107.159 170.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -63.22 -29.25 73.89 Favored Glycine 0 C--N 1.339 0.744 0 C-N-CA 123.789 0.709 . . . . 0.0 112.681 -177.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -58.03 -41.44 83.18 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 118.691 1.245 . . . . 0.0 111.39 175.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -58.61 -26.15 63.38 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 118.952 0.796 . . . . 0.0 112.022 177.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 7.5 mp -91.43 -28.32 17.72 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 124.405 1.082 . . . . 0.0 110.535 178.014 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -56.6 -41.35 76.86 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.954 1.302 . . . . 0.0 110.488 -175.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -59.47 -18.29 38.53 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.939 1.088 . . . . 0.0 113.939 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -115.16 -48.61 2.81 Favored 'General case' 0 C--N 1.345 0.412 0 CA-C-N 120.272 1.396 . . . . 0.0 112.177 176.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -92.39 -10.94 36.3 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 124.593 1.157 . . . . 0.0 112.176 -170.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -54.17 131.07 45.05 Favored Glycine 0 CA--C 1.522 0.491 0 C-N-CA 125.444 1.497 . . . . 0.0 110.105 177.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.77 -45.49 86.13 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 171.139 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.476 0 N-CA-C 108.068 -2.013 . . . . 0.0 108.068 177.096 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 363' ' ' ARG . . . . . . . . . . . . . 25.7 tpt180 . . . . . 0 N--CA 1.496 1.85 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -69.0 -36.53 77.92 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 121.739 -0.6 . . . . 0.0 112.016 -171.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 365' ' ' HIS . . . . . 0.4 ' CG ' ' H ' ' B' ' 366' ' ' SER . 86.5 t60 -157.79 174.55 15.12 Favored 'General case' 0 C--O 1.238 0.486 0 C-N-CA 125.324 1.449 . . . . 0.0 107.878 -178.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 366' ' ' SER . . . . . 0.4 ' H ' ' CG ' ' B' ' 365' ' ' HIS . 14.0 m -60.58 174.86 0.52 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.767 1.227 . . . . 0.0 110.073 168.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 14.0 m -62.87 -19.89 64.59 Favored 'General case' 0 CA--C 1.541 0.596 0 O-C-N 121.085 -1.009 . . . . 0.0 113.49 -174.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 368' ' ' HIS . . . . . . . . . . . . . 26.0 t60 42.52 -108.47 0.11 Allowed 'General case' 0 C--N 1.343 0.307 0 C-N-CA 126.007 1.723 . . . . 0.0 109.88 -170.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 369' ' ' LEU . . . . . 0.527 ' HG ' ' H ' ' B' ' 371' ' ' SER . 20.3 tp -155.79 148.15 23.71 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 -170.338 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 370' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.376 0 C-N-CA 124.503 1.121 . . . . 0.0 111.047 170.116 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 371' ' ' SER . . . . . 0.527 ' H ' ' HG ' ' B' ' 369' ' ' LEU . 16.1 m 45.76 34.94 1.99 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 128.817 2.847 . . . . 0.0 113.792 177.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 372' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -75.43 161.28 29.36 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 123.797 0.839 . . . . 0.0 109.563 176.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 373' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -58.45 -32.16 68.45 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.538 0.735 . . . . 0.0 111.454 175.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 374' ' ' GLY . . . . . . . . . . . . . . . -59.02 -27.9 62.98 Favored Glycine 0 CA--C 1.535 1.281 0 CA-C-O 119.153 -0.804 . . . . 0.0 113.567 178.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -85.04 11.85 8.81 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 118.538 1.169 . . . . 0.0 111.874 176.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 13.9 m 56.41 31.22 18.37 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.266 1.426 . . . . 0.0 112.481 -173.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 8.8 m . . . . . 0 C--O 1.257 1.499 0 C-N-CA 124.488 1.115 . . . . 0.0 108.377 170.169 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.714 0 N-CA-C 112.004 -0.439 . . . . 0.0 112.004 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -150.98 -47.61 0.12 Allowed 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.505 0.722 . . . . 0.0 110.668 177.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 16.0 mmt -140.74 169.74 17.08 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 125.715 1.606 . . . . 0.0 109.017 177.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 49.8 t30 -143.45 160.78 39.95 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 125.57 1.548 . . . . 0.0 108.547 179.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 16.3 m -65.18 88.56 0.08 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.601 1.16 . . . . 0.0 110.591 176.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 93.4 m-85 68.68 -63.06 0.37 Allowed 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 128.101 2.561 . . . . 0.0 113.818 172.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 5.2 t -57.36 114.71 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 C-N-CA 125.272 1.429 . . . . 0.0 108.988 -175.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 113.86 -18.26 19.51 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 125.315 1.436 . . . . 0.0 112.845 178.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 10.1 mp -77.31 138.79 39.57 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 118.831 1.316 . . . . 0.0 110.792 -173.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 57.0 mtm180 -78.65 126.64 31.02 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 105.482 -2.044 . . . . 0.0 105.482 168.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 17.1 m -145.55 -176.74 0.64 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.397 0 C-N-CA 125.091 1.356 . . . . 0.0 107.465 -173.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 3.4 t -118.4 144.71 25.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 105.419 -2.067 . . . . 0.0 105.419 169.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -146.5 152.16 38.55 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.178 0.991 . . . . 0.0 109.142 -169.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 79.7 tttt -82.21 131.07 35.23 Favored 'General case' 0 CA--C 1.513 -0.453 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 178.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 26.5 t-105 -71.15 128.46 36.0 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 169.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 1.1 m -54.73 -27.19 38.95 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 116.838 2.162 . . . . 0.0 116.838 -168.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 5.6 m -80.43 51.61 1.47 Allowed 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 120.234 1.379 . . . . 0.0 111.294 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 66.5 t30 45.71 45.16 11.09 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.895 2.078 . . . . 0.0 113.212 -173.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -95.14 -175.29 37.72 Favored Glycine 0 C--N 1.338 0.691 0 CA-C-O 122.651 1.139 . . . . 0.0 113.31 -174.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1500 ' ' TYR . . . . . 0.43 ' CG ' ' HA ' ' A' 1589 ' ' SER . 13.4 m-30 -70.07 169.61 13.09 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 128.033 2.533 . . . . 0.0 110.597 169.686 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 2.8 m-30 -92.84 108.9 20.35 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.447 -1.686 . . . . 0.0 106.447 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -101.65 155.92 17.81 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.892 1.277 . . . . 0.0 107.729 -178.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 6.0 m -71.33 148.96 46.56 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 121.55 -0.719 . . . . 0.0 111.334 176.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -165.39 -179.45 39.19 Favored Glycine 0 C--N 1.333 0.397 0 N-CA-C 112.164 -0.375 . . . . 0.0 112.164 174.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.97 135.89 53.55 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 106.2 -1.778 . . . . 0.0 106.2 175.073 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 17.8 mt -72.87 132.08 33.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 175.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 72.6 p -107.46 -36.79 6.39 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 123.106 0.562 . . . . 0.0 110.637 -171.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -165.45 141.07 5.19 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 123.894 0.878 . . . . 0.0 111.265 175.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 7.0 t0 -69.36 103.91 2.12 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 125.014 1.326 . . . . 0.0 107.802 168.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.4 t -66.4 -50.28 68.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 -176.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 146.32 164.47 10.97 Favored Glycine 0 C--N 1.34 0.798 0 N-CA-C 109.714 -1.354 . . . . 0.0 109.714 178.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 59.1 7.15 0.79 Allowed 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 177.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 105.27 -6.86 42.95 Favored Glycine 0 C--N 1.338 0.646 0 C-N-CA 124.412 1.006 . . . . 0.0 111.205 -173.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 42.3 mtmt -75.69 136.69 40.37 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 120.468 2.134 . . . . 0.0 107.41 169.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -127.33 137.26 52.76 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 105.099 -2.186 . . . . 0.0 105.099 169.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -82.93 139.25 33.48 Favored 'General case' 0 CA--C 1.51 -0.565 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 176.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 2.9 mm? -125.12 119.85 29.76 Favored 'General case' 0 CA--C 1.51 -0.585 0 C-N-CA 124.961 1.304 . . . . 0.0 108.659 -169.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 32.1 tp -84.38 95.88 8.89 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 103.835 -2.654 . . . . 0.0 103.835 169.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -58.9 144.47 44.53 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 171.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -65.86 -19.16 65.78 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -170.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -79.33 -0.1 31.15 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.974 1.309 . . . . 0.0 113.649 173.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 108.99 -3.69 31.76 Favored Glycine 0 CA--C 1.531 1.064 0 C-N-CA 125.495 1.521 . . . . 0.0 114.2 169.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -85.65 157.74 20.26 Favored 'General case' 0 CA--C 1.528 0.106 0 CA-C-N 118.165 0.982 . . . . 0.0 110.112 -173.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -141.37 121.62 13.91 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 -178.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 57.4 m -147.86 167.81 23.82 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.501 1.521 . . . . 0.0 107.986 171.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -85.87 143.12 28.41 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 175.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 91.2 t -141.14 137.83 33.8 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 N-CA-C 107.613 -1.254 . . . . 0.0 107.613 -179.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 7.0 mt -77.55 152.65 33.93 Favored 'General case' 0 CA--C 1.512 -0.509 0 C-N-CA 123.31 0.644 . . . . 0.0 111.889 179.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -56.72 -37.13 75.18 Favored Glycine 0 CA--C 1.522 0.52 0 C-N-CA 123.918 0.771 . . . . 0.0 113.171 -178.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -8.0 18.12 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 175.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -116.22 22.29 13.0 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.658 1.583 . . . . 0.0 111.725 -179.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -133.82 139.43 48.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 179.357 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 72.7 mt -120.32 115.36 23.4 Favored 'General case' 0 CA--C 1.52 -0.196 0 N-CA-C 104.756 -2.313 . . . . 0.0 104.756 -177.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.16 -3.14 17.53 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 116.633 2.086 . . . . 0.0 116.633 -168.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 23.9 p -135.63 50.07 2.13 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 106.195 -1.779 . . . . 0.0 106.195 -177.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 48.5 t0 -114.54 57.59 0.92 Allowed Pre-proline 0 CA--C 1.541 0.599 0 N-CA-C 115.81 1.781 . . . . 0.0 115.81 -168.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -68.1 121.57 8.58 Favored 'Trans proline' 0 CA--C 1.543 0.93 1 N-CA-C 100.626 -4.413 . . . . 0.0 100.626 166.347 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 5.0 mm -59.56 122.64 66.1 Favored Pre-proline 0 CA--C 1.54 0.558 0 CA-C-N 118.886 0.766 . . . . 0.0 109.091 -167.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -61.43 144.8 98.4 Favored 'Trans proline' 0 N--CA 1.452 -0.939 0 C-N-CA 121.801 1.667 . . . . 0.0 110.637 177.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 3.9 mp -59.89 148.58 34.39 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 169.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 22.2 t70 74.91 -5.31 2.18 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.878 2.071 . . . . 0.0 113.638 -175.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 22.0 m -70.17 134.61 48.28 Favored 'General case' 0 C--O 1.238 0.455 0 O-C-N 120.87 -1.144 . . . . 0.0 108.199 170.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -76.15 138.3 40.63 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 170.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 1.2 m -147.61 160.06 8.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 124.768 1.227 . . . . 0.0 109.898 -175.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 3.1 m -89.34 131.02 35.62 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 105.505 -2.035 . . . . 0.0 105.505 169.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -97.22 140.4 31.76 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 171.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.31 98.76 3.68 Favored 'General case' 0 CA--C 1.519 -0.238 0 C-N-CA 123.697 0.799 . . . . 0.0 109.601 -170.198 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 11.1 m -61.47 121.94 13.95 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 105.094 -2.187 . . . . 0.0 105.094 169.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -45.77 -33.49 3.1 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 126.139 1.775 . . . . 0.0 114.954 -168.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 38.9 t70 -64.09 -47.46 79.98 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 118.268 -0.872 . . . . 0.0 111.316 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 177.68 -24.27 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.429 1.492 . . . . 0.0 114.879 170.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -53.71 127.57 26.19 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 119.337 0.972 . . . . 0.0 111.996 -168.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 9.3 t80 -120.94 127.95 52.3 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 124.922 1.289 . . . . 0.0 110.604 -168.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 1.6 p -152.27 177.38 10.62 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.543 1.537 . . . . 0.0 109.058 173.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -136.58 159.23 42.44 Favored 'General case' 0 N--CA 1.468 0.454 0 O-C-N 120.474 -1.391 . . . . 0.0 111.321 173.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -171.51 -159.02 16.74 Favored Glycine 0 CA--C 1.528 0.866 0 C-N-CA 126.075 1.797 . . . . 0.0 108.688 -172.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.2 t -131.59 143.27 40.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-N 118.577 1.189 . . . . 0.0 109.277 -175.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 84.6 t -65.44 126.12 23.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 N-CA-C 108.515 -0.921 . . . . 0.0 108.515 173.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 82.5 mttt -132.05 21.18 4.5 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 119.368 0.985 . . . . 0.0 112.098 170.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 179.2 176.97 47.35 Favored Glycine 0 C--N 1.336 0.576 0 O-C-N 121.519 -0.738 . . . . 0.0 111.432 169.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 9.8 m80 -141.81 154.32 45.12 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 126.669 1.988 . . . . 0.0 110.861 -172.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 54.6 ttt180 -149.97 159.42 44.4 Favored 'General case' 0 N--CA 1.461 0.098 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 170.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 11.1 mmtp -127.63 129.47 47.28 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 106.019 -1.845 . . . . 0.0 106.019 169.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -150.9 139.49 20.6 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 -177.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 27.2 m 50.2 31.83 5.49 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.461 1.105 . . . . 0.0 113.677 178.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 68.27 30.49 73.6 Favored Glycine 0 C--N 1.343 0.928 0 O-C-N 121.815 -0.553 . . . . 0.0 112.292 -178.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -138.84 153.61 48.37 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.953 1.301 . . . . 0.0 107.701 -177.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 33.0 tp -101.48 135.33 43.16 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.474 1.109 . . . . 0.0 109.781 -169.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -127.54 157.35 40.39 Favored 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 125.84 1.656 . . . . 0.0 109.139 -174.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -141.61 134.1 28.27 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 106.786 -1.561 . . . . 0.0 106.786 -174.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.44 97.71 11.02 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 104.565 -2.384 . . . . 0.0 104.565 169.569 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 36.5 mm -77.84 129.35 37.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 106.401 -1.703 . . . . 0.0 106.401 178.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -83.58 119.12 24.33 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 103.092 -2.929 . . . . 0.0 103.092 168.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 24.3 ttpt -141.68 135.69 30.13 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 105.011 -2.218 . . . . 0.0 105.011 -172.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 54.58 27.04 7.95 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 123.203 0.601 . . . . 0.0 111.841 -173.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 79.42 14.61 81.22 Favored Glycine 0 CA--C 1.533 1.161 0 CA-C-O 119.128 -0.818 . . . . 0.0 113.444 175.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -142.39 154.45 44.63 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 118.547 1.174 . . . . 0.0 109.594 179.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -81.0 141.27 34.58 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 121.341 -0.85 . . . . 0.0 109.207 -175.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -142.96 129.45 20.12 Favored 'General case' 0 C--O 1.226 -0.142 0 N-CA-C 106.046 -1.835 . . . . 0.0 106.046 -178.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 89.1 m95 -80.59 132.02 35.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 118.936 0.789 . . . . 0.0 109.95 178.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -134.57 166.6 22.53 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.332 1.453 . . . . 0.0 107.852 169.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -109.82 165.16 11.92 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.871 1.268 . . . . 0.0 109.875 -177.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 65.8 ttp85 -42.85 -55.53 3.65 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.642 1.177 . . . . 0.0 113.625 -178.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 2.1 ppp? -71.88 -15.11 62.11 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 120.217 1.371 . . . . 0.0 114.058 -178.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -92.08 -2.14 56.81 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 125.873 1.669 . . . . 0.0 110.9 171.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 89.7 t -120.95 90.15 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.757 0 N-CA-C 105.282 -2.118 . . . . 0.0 105.282 176.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 9.2 pt -107.92 163.61 5.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 -172.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 10.8 mt -115.39 118.82 34.3 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 106.789 -1.56 . . . . 0.0 106.789 -174.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1589 ' ' SER . . . . . 0.43 ' HA ' ' CG ' ' A' 1500 ' ' TYR . 3.4 m -55.96 148.52 17.14 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 169.184 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.3 pp -53.2 -38.32 62.75 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 -168.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 24.3 tp10 -70.29 -40.78 74.08 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 118.993 0.815 . . . . 0.0 109.823 179.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -58.73 -46.31 87.66 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 176.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -66.25 -35.2 90.03 Favored Glycine 0 CA--C 1.525 0.711 0 C-N-CA 123.55 0.595 . . . . 0.0 112.413 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -58.35 -35.53 72.07 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 118.67 1.235 . . . . 0.0 110.431 174.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 -58.76 -17.86 26.79 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 118.715 0.689 . . . . 0.0 112.603 178.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 1.7 mp -110.88 -18.07 13.18 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 124.501 1.12 . . . . 0.0 111.635 178.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -56.17 -38.87 71.5 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.086 0.954 . . . . 0.0 110.272 178.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -56.26 -23.31 35.44 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 117.749 -1.12 . . . . 0.0 113.681 178.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -115.69 -47.26 2.81 Favored 'General case' 0 C--N 1.349 0.548 0 CA-C-N 120.307 1.412 . . . . 0.0 112.484 177.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.0 m-30 -94.02 -7.76 41.8 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 124.348 1.059 . . . . 0.0 112.623 -169.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -54.04 129.97 43.21 Favored Glycine 0 N--CA 1.445 -0.751 0 N-CA-C 109.76 -1.336 . . . . 0.0 109.76 175.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.97 -41.99 97.37 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 170.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.204 0 N-CA-C 108.655 -1.778 . . . . 0.0 108.655 178.565 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 363' ' ' ARG . . . . . . . . . . . . . 34.9 ttt-85 . . . . . 0 N--CA 1.495 1.792 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -66.27 151.21 47.53 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 169.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 365' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -72.08 -21.87 61.44 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 366' ' ' SER . . . . . . . . . . . . . 16.9 m 166.53 173.65 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.659 1 C-N-CA 132.132 4.173 . . . . 0.0 105.046 -171.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 15.0 m -61.52 -28.17 69.13 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 118.703 0.683 . . . . 0.0 112.471 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 368' ' ' HIS . . . . . . . . . . . . . 8.5 t60 42.22 -123.07 0.63 Allowed 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 125.611 1.564 . . . . 0.0 110.353 -173.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 4.4 tp -149.11 142.27 24.98 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 106.459 -1.682 . . . . 0.0 106.459 -174.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 370' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.355 0 N-CA-C 103.99 -2.596 . . . . 0.0 103.99 168.683 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 371' ' ' SER . . . . . . . . . . . . . 1.7 p -96.11 11.87 32.73 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.186 1.394 . . . . 0.0 112.016 -169.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 372' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -61.73 156.43 20.28 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 124.934 1.294 . . . . 0.0 112.245 -178.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 373' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -55.37 129.31 38.08 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 170.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 374' ' ' GLY . . . . . . . . . . . . . . . 113.06 -47.73 1.01 Allowed Glycine 0 CA--C 1.527 0.786 0 N-CA-C 109.378 -1.489 . . . . 0.0 109.378 -175.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 25.3 mm100 -76.23 -29.69 57.66 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 117.425 0.613 . . . . 0.0 109.71 169.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 31.9 m -134.12 165.8 24.24 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 126.167 1.787 . . . . 0.0 108.897 172.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 5.9 m . . . . . 0 C--O 1.252 1.21 0 C-N-CA 124.115 0.966 . . . . 0.0 109.13 174.41 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.763 0 CA-C-O 121.463 0.479 . . . . 0.0 112.303 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -150.0 149.99 31.16 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 124.944 1.298 . . . . 0.0 108.946 179.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 71.9 mtm -144.28 161.8 38.01 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.344 1.458 . . . . 0.0 108.449 175.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 42.9 t30 -147.19 160.46 42.43 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 125.041 1.336 . . . . 0.0 109.049 -174.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 20.0 m -62.1 92.51 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.316 1.446 . . . . 0.0 110.495 176.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 96.6 m-85 66.37 -61.88 0.29 Allowed 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 128.353 2.661 . . . . 0.0 113.99 174.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 21.4 t -58.21 112.28 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 C-N-CA 125.164 1.386 . . . . 0.0 109.307 -175.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 119.53 -24.32 8.11 Favored Glycine 0 CA--C 1.53 0.969 0 C-N-CA 125.1 1.333 . . . . 0.0 112.81 -179.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 10.2 mp -74.62 138.94 43.28 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 118.641 1.221 . . . . 0.0 110.751 -173.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -79.78 126.83 31.47 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 105.318 -2.104 . . . . 0.0 105.318 168.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 17.7 m -143.83 -171.46 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 C-N-CA 125.906 1.683 . . . . 0.0 107.905 -174.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 4.1 t -123.88 146.12 29.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 105.464 -2.05 . . . . 0.0 105.464 169.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -145.14 151.62 38.76 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 124.664 1.185 . . . . 0.0 108.7 -170.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 70.7 tttt -83.26 129.0 34.97 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -178.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 19.6 t-105 -80.81 144.03 32.38 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 168.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 1.6 m -65.29 -177.2 0.37 Allowed 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.773 1.629 . . . . 0.0 113.392 -172.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 15.8 m 54.59 43.37 30.33 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.006 0.922 . . . . 0.0 111.008 -175.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 66.4 t30 49.99 48.66 21.6 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 126.601 1.96 . . . . 0.0 113.468 -177.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -83.13 179.01 52.93 Favored Glycine 0 CA--C 1.527 0.803 0 CA-C-O 122.103 0.835 . . . . 0.0 112.785 177.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 12.8 m-30 -76.6 169.66 17.86 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 125.943 1.697 . . . . 0.0 111.068 174.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -85.69 111.16 19.84 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 174.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -101.2 149.04 24.4 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.93 1.292 . . . . 0.0 109.037 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 3.8 m -71.95 147.74 46.68 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.289 0.636 . . . . 0.0 109.998 178.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -174.2 -175.68 42.0 Favored Glycine 0 C--N 1.333 0.38 0 O-C-N 121.722 -0.612 . . . . 0.0 111.965 -175.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -128.7 129.93 46.46 Favored 'General case' 0 CA--C 1.511 -0.533 0 C-N-CA 126.082 1.753 . . . . 0.0 106.825 -172.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 11.9 mt -71.47 133.24 32.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 177.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 42.6 p -109.44 -30.28 8.02 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 123.433 0.693 . . . . 0.0 109.648 -173.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 18.3 ttt-85 -167.48 154.16 8.19 Favored 'General case' 0 CA--C 1.517 -0.311 0 C-N-CA 123.199 0.6 . . . . 0.0 112.016 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 9.9 t70 -84.11 109.71 17.91 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 102.094 -3.299 . . . . 0.0 102.094 166.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.8 t -69.12 -50.17 55.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 -178.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 155.63 160.45 9.97 Favored Glycine 0 C--N 1.339 0.748 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 175.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.46 11.24 0.8 Allowed 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 115.788 1.773 . . . . 0.0 115.788 173.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 110.12 -7.83 31.03 Favored Glycine 0 C--N 1.337 0.585 0 C-N-CA 124.68 1.133 . . . . 0.0 111.105 -177.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.57 140.73 44.61 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 119.974 1.887 . . . . 0.0 107.164 169.582 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -129.22 136.53 50.24 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 105.503 -2.036 . . . . 0.0 105.503 169.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 29.7 ttpt -83.77 137.17 33.86 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 175.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 2.8 mm? -124.35 118.53 26.94 Favored 'General case' 0 CA--C 1.512 -0.501 0 C-N-CA 124.812 1.245 . . . . 0.0 108.394 -169.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 36.4 tp -83.91 93.89 8.13 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 104.267 -2.494 . . . . 0.0 104.267 169.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -55.83 148.62 16.39 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 172.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -65.53 -17.98 64.97 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -169.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 32.2 p-10 -84.71 -0.08 52.33 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.597 1.559 . . . . 0.0 113.2 173.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 105.88 -2.48 38.6 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 125.12 1.343 . . . . 0.0 114.227 169.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -81.45 154.71 26.22 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.323 1.062 . . . . 0.0 109.64 -176.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -140.98 118.19 11.32 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 -175.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 60.0 m -144.41 161.45 38.98 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.09 1.356 . . . . 0.0 108.036 176.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -79.7 144.36 33.76 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 171.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 81.6 t -142.24 139.96 29.51 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.242 0 C-N-CA 124.684 1.194 . . . . 0.0 107.875 177.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 5.2 mt -77.66 149.78 34.65 Favored 'General case' 0 CA--C 1.513 -0.459 0 O-C-N 121.535 -0.728 . . . . 0.0 112.437 178.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -55.11 -37.09 62.68 Favored Glycine 0 C--N 1.332 0.321 0 C-N-CA 124.123 0.868 . . . . 0.0 113.826 -177.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.47 -22.29 64.94 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 118.874 1.337 . . . . 0.0 112.846 176.668 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -99.65 18.77 17.23 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.459 1.504 . . . . 0.0 111.964 -175.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 1.2 mt -128.51 136.74 59.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 N-CA-C 107.405 -1.332 . . . . 0.0 107.405 -178.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 65.4 mt -119.43 112.02 18.88 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 104.36 -2.459 . . . . 0.0 104.36 -173.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.74 -3.3 16.84 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 116.799 2.148 . . . . 0.0 116.799 -169.086 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 24.7 p -128.84 56.21 1.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 104.828 -2.286 . . . . 0.0 104.828 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1536 ' ' ASP . . . . . 0.411 ' CG ' HH21 ' A' 1583 ' ' ARG . 5.8 p-10 -98.22 16.71 0.05 OUTLIER Pre-proline 0 CA--C 1.544 0.721 0 N-CA-C 121.301 3.815 . . . . 0.0 121.301 -167.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -56.48 115.62 2.61 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 CA-C-N 125.256 2.913 . . . . 0.0 105.857 168.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 15.7 mm -60.85 123.31 74.38 Favored Pre-proline 0 CA--C 1.534 0.365 0 CA-C-O 118.491 -0.766 . . . . 0.0 109.679 -167.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -64.4 141.69 75.6 Favored 'Trans proline' 0 N--CA 1.454 -0.801 0 C-N-CA 121.764 1.643 . . . . 0.0 109.962 174.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 4.8 mp -58.6 149.03 26.8 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 177.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 4.7 t70 77.0 -5.77 2.13 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 126.896 2.079 . . . . 0.0 113.435 -176.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 28.7 m -67.32 139.67 57.25 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 169.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -87.47 139.08 30.91 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 106.696 -1.594 . . . . 0.0 106.696 174.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 1.6 m -147.48 161.52 7.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 C-N-CA 124.499 1.12 . . . . 0.0 108.518 -170.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 8.5 m -89.59 140.48 29.51 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 105.987 -1.857 . . . . 0.0 105.987 169.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -113.37 141.17 47.37 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 106.738 -1.578 . . . . 0.0 106.738 174.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 3.7 mt -138.7 108.04 6.13 Favored 'General case' 0 CA--C 1.513 -0.443 0 C-N-CA 124.283 1.033 . . . . 0.0 108.524 -174.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 2.4 m -65.97 156.48 33.49 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 106.281 -1.748 . . . . 0.0 106.281 168.299 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -67.09 14.13 0.05 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.896 1.678 . . . . 0.0 114.755 -169.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 22.8 t0 -143.12 54.06 1.36 Allowed 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.583 1.553 . . . . 0.0 109.724 178.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1551 ' ' GLU . . . . . . . . . . . . 0.276 7.5 pt-20 54.94 22.4 4.3 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 117.126 2.269 . . . . 0.0 117.126 174.01 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -76.64 77.63 3.3 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 169.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 8.6 t80 -66.03 131.07 45.34 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 125.387 1.475 . . . . 0.0 110.146 170.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 4.6 p -152.39 177.37 10.67 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.005 1.722 . . . . 0.0 108.551 169.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -139.8 155.7 47.13 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 120.434 1.47 . . . . 0.0 111.152 172.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.43 -162.24 22.41 Favored Glycine 0 CA--C 1.53 0.998 0 C-N-CA 126.22 1.867 . . . . 0.0 108.784 -172.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.3 t -129.69 143.54 40.79 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.364 0 CA-C-N 118.599 1.2 . . . . 0.0 109.207 -173.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 99.1 t -66.33 126.02 24.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 172.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -127.57 13.46 7.0 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 118.902 0.774 . . . . 0.0 111.122 170.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 178.91 -179.91 48.77 Favored Glycine 0 C--N 1.337 0.603 0 CA-C-N 118.762 0.71 . . . . 0.0 112.353 173.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 13.2 m80 -141.44 154.37 45.54 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 126.652 1.981 . . . . 0.0 110.621 -172.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 -150.41 162.09 41.23 Favored 'General case' 0 N--CA 1.461 0.081 0 C-N-CA 125.538 1.535 . . . . 0.0 107.521 169.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -130.2 125.1 34.11 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 106.465 -1.679 . . . . 0.0 106.465 169.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -150.99 140.51 21.56 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 -174.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 38.2 m 50.48 29.79 4.22 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 176.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 66.98 34.5 87.22 Favored Glycine 0 CA--C 1.532 1.155 0 CA-C-O 119.538 -0.59 . . . . 0.0 112.245 -178.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -139.59 149.15 43.48 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 105.84 -1.911 . . . . 0.0 105.84 176.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 52.1 tp -92.98 134.96 34.6 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 125.023 1.329 . . . . 0.0 107.523 -176.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -124.9 156.55 37.75 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 124.909 1.284 . . . . 0.0 108.784 -174.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -138.09 129.6 27.9 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 106.419 -1.697 . . . . 0.0 106.419 -176.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.2 p -85.49 96.66 9.68 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 104.82 -2.289 . . . . 0.0 104.82 169.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 40.8 mm -79.21 127.59 38.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 N-CA-C 106.315 -1.735 . . . . 0.0 106.315 178.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -84.26 120.91 26.79 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 103.64 -2.726 . . . . 0.0 103.64 168.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 24.1 ttpt -143.51 133.28 23.85 Favored 'General case' 0 CA--C 1.509 -0.601 0 N-CA-C 104.396 -2.446 . . . . 0.0 104.396 -170.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 56.73 24.29 8.86 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 118.511 0.596 . . . . 0.0 112.101 -175.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 77.95 17.94 77.68 Favored Glycine 0 C--N 1.345 1.074 0 O-C-N 121.397 -0.814 . . . . 0.0 113.003 176.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -141.62 161.24 38.42 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 125.113 1.365 . . . . 0.0 108.222 177.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -105.02 138.92 40.47 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 119.717 1.144 . . . . 0.0 110.069 -169.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -142.55 132.98 24.98 Favored 'General case' 0 CA--C 1.523 -0.093 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 -169.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 90.0 m95 -81.04 130.49 35.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 118.593 0.633 . . . . 0.0 109.811 177.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -132.19 159.6 38.52 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 169.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -100.78 164.61 11.77 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.575 1.15 . . . . 0.0 110.312 -176.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1583 ' ' ARG . . . . . 0.411 HH21 ' CG ' ' A' 1536 ' ' ASP . 77.5 ttt180 -50.22 -45.13 53.59 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.703 1.138 . . . . 0.0 113.095 -177.423 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -71.08 -23.45 62.12 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 121.215 1.825 . . . . 0.0 112.938 178.26 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -81.65 -15.39 54.73 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 118.569 -0.729 . . . . 0.0 111.027 175.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 84.6 t -111.68 91.95 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 N-CA-C 105.891 -1.892 . . . . 0.0 105.891 -174.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 9.8 pt -107.64 164.89 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 -175.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 3.9 mt -107.69 116.01 31.17 Favored 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 106.399 -1.704 . . . . 0.0 106.399 -178.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.62 148.89 8.87 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 107.246 -1.39 . . . . 0.0 107.246 169.462 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.6 pp -55.43 -35.8 65.81 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 119.424 1.011 . . . . 0.0 113.111 -168.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 30.8 tp10 -66.23 -39.67 89.74 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 121.654 -0.654 . . . . 0.0 110.515 178.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -66.37 -52.05 50.89 Favored 'General case' 0 C--O 1.226 -0.157 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 178.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -61.99 -28.63 70.74 Favored Glycine 0 C--N 1.339 0.735 0 CA-C-O 119.145 -0.808 . . . . 0.0 111.728 -175.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -60.45 -45.36 93.98 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 118.796 1.298 . . . . 0.0 111.486 174.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 22.4 mtt-85 -62.57 -17.83 60.85 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 122.916 0.486 . . . . 0.0 112.159 177.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 10.1 mp -93.68 -29.7 15.29 Favored 'General case' 0 C--O 1.224 -0.283 0 C-N-CA 123.787 0.835 . . . . 0.0 110.975 172.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 64.9 ttp85 -57.72 -38.19 74.86 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 119.935 1.243 . . . . 0.0 111.733 -174.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -57.64 -22.87 48.2 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 118.245 -0.884 . . . . 0.0 112.908 178.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -114.89 -45.68 2.96 Favored 'General case' 0 C--N 1.346 0.444 0 CA-C-N 119.538 1.063 . . . . 0.0 112.634 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 7.3 m-30 -92.71 -8.92 42.54 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 124.239 1.016 . . . . 0.0 112.328 -169.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -56.31 130.27 49.36 Favored Glycine 0 CA--C 1.526 0.745 0 C-N-CA 125.233 1.397 . . . . 0.0 110.805 179.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.79 -48.55 71.39 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 118.367 1.083 . . . . 0.0 108.851 174.083 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.312 0 CA-C-O 117.603 -1.665 . . . . 0.0 111.074 -169.547 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 363' ' ' ARG . . . . . . . . . . . . . 25.0 tpt180 . . . . . 0 N--CA 1.499 1.991 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -60.57 -28.08 68.2 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.774 1.23 . . . . 0.0 113.194 -176.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 365' ' ' HIS . . . . . . . . . . . . . 27.0 t60 -141.29 160.54 39.9 Favored 'General case' 0 C--N 1.341 0.22 0 C-N-CA 124.879 1.271 . . . . 0.0 107.998 172.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 366' ' ' SER . . . . . 0.456 ' C ' ' H ' ' B' ' 368' ' ' HIS . 3.5 m -73.4 38.21 0.09 Allowed 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 127.773 2.429 . . . . 0.0 114.187 -170.199 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 8.8 m 68.2 -24.55 0.13 Allowed 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 127.285 2.234 . . . . 0.0 114.218 -173.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 368' ' ' HIS . . . . . 0.456 ' H ' ' C ' ' B' ' 366' ' ' SER . 8.4 t60 53.75 -72.5 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 129.577 3.151 . . . . 0.0 112.673 -169.451 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 369' ' ' LEU . . . . . 0.442 ' HG ' ' H ' ' B' ' 371' ' ' SER . 29.4 tp -165.61 -61.58 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 119.866 1.212 . . . . 0.0 112.415 -170.007 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 370' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.17 0 C-N-CA 125.256 1.422 . . . . 0.0 112.122 -171.442 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 371' ' ' SER . . . . . 0.442 ' H ' ' HG ' ' B' ' 369' ' ' LEU 0.302 0.3 OUTLIER 45.72 29.29 0.66 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 130.819 3.648 . . . . 0.0 113.792 -177.363 . . . . . . . . 4 4 . 1 . 017 nuclear orig full ' B' B ' 372' ' ' LYS . . . . . . . . . . . . . 11.6 tppt? -150.17 -38.54 0.14 Allowed 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 114.133 1.16 . . . . 0.0 114.133 -179.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 373' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -65.52 124.8 23.27 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 120.619 1.554 . . . . 0.0 107.048 174.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 374' ' ' GLY . . . . . . . . . . . . . . . 68.92 15.61 69.45 Favored Glycine 0 CA--C 1.536 1.376 0 CA-C-O 119.263 -0.743 . . . . 0.0 113.062 -174.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -145.73 46.63 1.27 Allowed 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.501 1.92 . . . . 0.0 107.196 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 5.8 m -54.05 -36.63 63.29 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.096 1.358 . . . . 0.0 112.777 -169.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 18.1 m . . . . . 0 C--O 1.253 1.246 0 N-CA-C 106.455 -1.683 . . . . 0.0 106.455 -179.394 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.88 0 CA-C-O 121.242 0.356 . . . . 0.0 112.269 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -150.5 172.42 15.49 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 125.362 1.465 . . . . 0.0 108.897 178.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 14.4 mmt -139.21 167.13 22.75 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.607 1.563 . . . . 0.0 110.109 -177.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 58.8 t30 -150.12 166.27 30.31 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 126.794 2.038 . . . . 0.0 107.052 -179.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 39.7 m -52.3 -53.11 48.38 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 123.574 0.749 . . . . 0.0 112.384 -172.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -152.13 -54.08 0.13 Allowed 'General case' 0 C--O 1.224 -0.258 0 C-N-CA 123.358 0.663 . . . . 0.0 110.143 -176.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 17.7 t -59.81 115.93 1.43 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 C-N-CA 124.264 1.026 . . . . 0.0 108.654 -174.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 116.84 -24.61 9.41 Favored Glycine 0 CA--C 1.531 1.044 0 C-N-CA 124.832 1.206 . . . . 0.0 112.119 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 9.7 mp -73.35 138.56 45.43 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 118.829 1.315 . . . . 0.0 110.998 -174.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 75.2 mtt85 -80.52 126.32 31.08 Favored 'General case' 0 N--CA 1.462 0.157 0 N-CA-C 105.307 -2.109 . . . . 0.0 105.307 168.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 18.6 m -144.63 -172.19 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 C-N-CA 125.535 1.534 . . . . 0.0 107.739 -172.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.8 t -121.55 147.75 25.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 105.965 -1.865 . . . . 0.0 105.965 170.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -145.59 150.1 35.75 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 124.512 1.125 . . . . 0.0 108.557 -172.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 74.7 tttt -81.99 134.15 35.35 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 107.605 -1.258 . . . . 0.0 107.605 177.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 18.8 t-105 -87.31 145.8 26.2 Favored 'General case' 0 N--CA 1.441 -0.907 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 169.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 2.3 m -65.62 -174.53 0.21 Allowed 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.013 1.725 . . . . 0.0 113.316 -172.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 41.5 m 53.64 42.87 31.77 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 120.682 -1.261 . . . . 0.0 111.374 -172.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 66.5 t30 49.0 47.5 21.72 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.329 1.852 . . . . 0.0 113.271 -175.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -83.81 179.32 52.21 Favored Glycine 0 CA--C 1.525 0.657 0 CA-C-O 122.445 1.025 . . . . 0.0 113.777 -177.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1500 ' ' TYR . . . . . 0.409 ' CG ' ' HA ' ' A' 1589 ' ' SER . 7.7 m-30 -75.14 169.3 18.29 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 127.065 2.146 . . . . 0.0 110.435 175.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -96.95 108.65 21.41 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 106.198 -1.779 . . . . 0.0 106.198 -178.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -105.43 151.43 24.25 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 125.034 1.334 . . . . 0.0 108.963 -174.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 4.2 m -67.42 145.54 54.92 Favored 'General case' 0 CA--C 1.534 0.365 0 O-C-N 121.788 -0.57 . . . . 0.0 110.501 176.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -167.02 179.04 40.99 Favored Glycine 0 C--O 1.226 -0.358 0 N-CA-C 111.824 -0.511 . . . . 0.0 111.824 177.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -123.08 129.8 51.94 Favored 'General case' 0 CA--C 1.512 -0.508 0 N-CA-C 106.234 -1.765 . . . . 0.0 106.234 -176.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 13.8 mt -71.08 133.03 32.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 179.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 35.7 p -109.21 -28.7 8.88 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 123.512 0.725 . . . . 0.0 109.656 -174.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 20.9 ttt-85 -167.79 154.8 8.18 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.124 178.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 4.0 t70 -85.6 106.04 16.62 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 102.076 -3.305 . . . . 0.0 102.076 167.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.6 t -67.19 -49.11 75.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 -178.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 144.63 169.12 13.05 Favored Glycine 0 C--N 1.335 0.528 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 175.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 57.4 8.94 0.66 Allowed 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 178.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 106.25 -8.38 41.37 Favored Glycine 0 CA--C 1.524 0.598 0 C-N-CA 125.59 1.566 . . . . 0.0 111.231 -176.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 30.3 mtpt -75.23 138.42 41.9 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 119.593 1.696 . . . . 0.0 108.23 172.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -127.39 137.6 52.79 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 105.626 -1.99 . . . . 0.0 105.626 169.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -85.09 137.79 32.82 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 176.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.2 mm? -125.33 119.05 27.29 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 125.007 1.323 . . . . 0.0 108.75 -169.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 40.1 tp -84.04 93.21 8.04 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 104.916 -2.253 . . . . 0.0 104.916 168.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -56.23 148.59 18.01 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 173.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -66.21 -18.86 65.61 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -169.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 26.7 p-10 -84.0 3.65 33.39 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.55 1.14 . . . . 0.0 113.112 172.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 103.09 -1.62 47.53 Favored Glycine 0 CA--C 1.531 1.051 0 C-N-CA 125.158 1.361 . . . . 0.0 114.54 169.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -80.73 157.36 25.87 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 118.283 1.041 . . . . 0.0 109.669 -177.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -140.92 120.56 13.32 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -177.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 89.4 m -147.18 167.22 24.73 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.935 1.694 . . . . 0.0 107.877 172.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -91.07 144.06 26.04 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 124.242 1.017 . . . . 0.0 109.464 175.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 90.1 t -143.37 139.71 26.47 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.23 0 N-CA-C 107.332 -1.358 . . . . 0.0 107.332 -176.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 7.2 mt -78.38 152.26 32.36 Favored 'General case' 0 CA--C 1.513 -0.475 0 O-C-N 121.823 -0.548 . . . . 0.0 112.3 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -52.17 -40.38 51.92 Favored Glycine 0 CA--C 1.523 0.549 0 C-N-CA 124.986 1.279 . . . . 0.0 113.613 -179.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1530 ' ' LYS . . . . . . . . . . . . 0.254 0.0 OUTLIER -64.59 -14.11 56.29 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 118.851 1.325 . . . . 0.0 113.129 178.715 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -110.17 20.28 18.04 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.948 1.699 . . . . 0.0 111.561 -176.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -131.03 132.12 63.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 N-CA-C 106.128 -1.804 . . . . 0.0 106.128 178.694 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 8.1 mp -117.49 118.03 31.06 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 103.979 -2.6 . . . . 0.0 103.979 -174.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.59 -2.38 14.6 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 117.194 2.294 . . . . 0.0 117.194 -168.693 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 25.2 p -130.1 52.69 1.99 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 105.086 -2.19 . . . . 0.0 105.086 -179.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -99.42 16.56 0.05 OUTLIER Pre-proline 0 CA--C 1.544 0.724 0 N-CA-C 121.709 3.966 . . . . 0.0 121.709 -167.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -54.91 118.97 5.74 Favored 'Trans proline' 0 CA--C 1.542 0.88 0 CA-C-N 125.264 2.916 . . . . 0.0 106.067 169.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 7.4 mm -60.55 123.99 76.59 Favored Pre-proline 0 CA--C 1.536 0.44 0 CA-C-O 118.395 -0.812 . . . . 0.0 109.771 -167.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -63.84 139.98 71.19 Favored 'Trans proline' 0 N--CA 1.452 -0.959 0 C-N-CA 121.976 1.784 . . . . 0.0 110.355 172.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 4.0 mp -55.41 148.62 14.82 Favored 'General case' 0 CA--C 1.532 0.281 0 O-C-N 121.786 -0.571 . . . . 0.0 109.771 172.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 6.4 t70 75.22 -4.73 2.31 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 127.229 2.212 . . . . 0.0 113.259 -177.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 28.5 m -69.0 138.35 54.45 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 108.428 -0.952 . . . . 0.0 108.428 170.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -79.01 137.08 37.41 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 171.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 1.9 m -145.15 164.58 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 C-N-CA 124.434 1.094 . . . . 0.0 109.39 -176.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 15.5 m -90.18 139.87 30.22 Favored 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 105.654 -1.98 . . . . 0.0 105.654 169.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -116.23 138.7 51.07 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 107.132 -1.433 . . . . 0.0 107.132 175.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.05 110.96 7.22 Favored 'General case' 0 CA--C 1.514 -0.438 0 C-N-CA 123.293 0.637 . . . . 0.0 111.701 -169.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 7.8 m -66.3 125.36 25.36 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 102.625 -3.102 . . . . 0.0 102.625 167.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -52.19 -22.67 4.55 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 115.992 1.849 . . . . 0.0 115.992 -168.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 37.0 t70 -66.65 -47.19 73.31 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 118.981 0.81 . . . . 0.0 111.423 177.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 175.54 -22.42 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.771 1.628 . . . . 0.0 114.158 173.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -56.8 123.38 14.82 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 119.521 1.055 . . . . 0.0 109.697 -169.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 2.1 t80 -125.09 128.55 48.63 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 125.123 1.369 . . . . 0.0 110.883 -168.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 2.4 p -151.87 178.1 9.75 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.453 1.501 . . . . 0.0 109.232 171.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -131.81 158.24 41.8 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 120.795 -1.19 . . . . 0.0 110.905 174.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.68 -159.8 17.56 Favored Glycine 0 CA--C 1.528 0.905 0 C-N-CA 126.19 1.852 . . . . 0.0 108.898 -170.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.4 t -132.46 143.09 40.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 CA-C-N 118.648 1.224 . . . . 0.0 110.193 -174.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 57.4 t -66.3 128.78 29.92 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 172.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -132.57 13.42 4.49 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.499 1.12 . . . . 0.0 111.489 171.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -177.07 173.2 46.1 Favored Glycine 0 C--N 1.338 0.686 0 CA-C-N 119.012 0.824 . . . . 0.0 112.487 173.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 9.2 m80 -136.35 154.33 50.87 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 125.902 1.681 . . . . 0.0 109.954 -177.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 49.2 ttt180 -149.72 159.34 44.42 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 171.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -129.77 126.25 37.73 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 106.256 -1.757 . . . . 0.0 106.256 170.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -150.8 139.46 20.67 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 -174.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 41.1 m 49.25 30.75 3.27 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 114.35 1.241 . . . . 0.0 114.35 177.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 66.53 35.62 90.27 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 121.597 -0.69 . . . . 0.0 112.089 -178.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -138.81 147.34 42.41 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 106.332 -1.729 . . . . 0.0 106.332 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 48.8 tp -95.19 130.4 41.94 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 124.455 1.102 . . . . 0.0 108.453 -175.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -121.3 156.25 32.94 Favored 'General case' 0 CA--C 1.513 -0.467 0 C-N-CA 124.63 1.172 . . . . 0.0 109.332 -175.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -137.34 132.21 33.27 Favored 'General case' 0 N--CA 1.442 -0.833 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 -175.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 46.8 t -83.89 104.1 13.7 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 102.209 -3.256 . . . . 0.0 102.209 168.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 28.2 mm -85.29 122.44 38.29 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 N-CA-C 105.352 -2.092 . . . . 0.0 105.352 171.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -83.19 120.44 25.8 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 102.579 -3.119 . . . . 0.0 102.579 168.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 22.7 ttpp -141.89 135.13 29.18 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 105.106 -2.183 . . . . 0.0 105.106 -173.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 55.72 27.62 10.97 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.527 0.731 . . . . 0.0 111.351 -176.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 81.05 14.52 79.14 Favored Glycine 0 CA--C 1.53 1.005 0 CA-C-O 118.943 -0.92 . . . . 0.0 113.355 175.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -142.56 154.59 44.59 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 118.661 1.23 . . . . 0.0 110.695 -179.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 88.4 mtm-85 -80.89 138.23 36.16 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.136 0.975 . . . . 0.0 109.37 -175.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -144.48 127.96 16.97 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 107.026 -1.472 . . . . 0.0 107.026 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 92.2 m95 -81.06 126.95 32.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 118.518 0.599 . . . . 0.0 110.338 177.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -128.7 166.67 18.5 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 107.122 -1.436 . . . . 0.0 107.122 169.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 55.8 pttt -115.98 166.39 12.04 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.79 1.236 . . . . 0.0 110.075 -176.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -48.31 -52.03 23.34 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 117.423 -1.275 . . . . 0.0 114.249 -169.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -69.79 -19.47 63.5 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 121.503 1.956 . . . . 0.0 113.394 179.338 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -87.26 -4.92 59.1 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 125.085 1.354 . . . . 0.0 111.167 172.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 91.2 t -119.63 90.63 1.62 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.643 0 N-CA-C 105.667 -1.975 . . . . 0.0 105.667 177.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 11.8 pt -108.21 174.78 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 -175.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 4.4 mt -122.03 134.69 54.79 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 106.826 -1.546 . . . . 0.0 106.826 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1589 ' ' SER . . . . . 0.409 ' HA ' ' CG ' ' A' 1500 ' ' TYR . 12.6 p -63.6 167.33 5.81 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 106.3 -1.741 . . . . 0.0 106.3 168.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.1 pp -57.87 -37.59 74.2 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 121.11 -0.994 . . . . 0.0 111.826 173.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -72.28 -42.0 66.05 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 121.283 -0.885 . . . . 0.0 108.741 -174.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -67.09 -49.95 63.28 Favored 'General case' 0 C--O 1.227 -0.123 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 179.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -63.24 -29.89 75.85 Favored Glycine 0 C--N 1.338 0.677 0 CA-C-O 118.737 -1.035 . . . . 0.0 111.552 -176.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -53.68 -38.79 64.54 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 119.327 1.563 . . . . 0.0 112.512 174.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -61.25 -17.37 53.04 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 118.64 0.655 . . . . 0.0 112.546 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -115.11 -15.96 11.65 Favored 'General case' 0 C--N 1.342 0.244 0 C-N-CA 124.556 1.142 . . . . 0.0 110.919 176.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 8.4 tmm_? -62.25 -38.48 89.42 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 120.4 1.455 . . . . 0.0 110.082 179.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -59.06 -22.03 60.09 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.788 0.835 . . . . 0.0 112.989 179.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -113.97 -44.01 3.2 Favored 'General case' 0 C--N 1.346 0.427 0 CA-C-N 119.162 0.892 . . . . 0.0 111.668 -176.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 8.9 m-30 -94.28 -16.14 23.85 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.07 0.948 . . . . 0.0 111.969 -170.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -42.2 129.42 4.6 Favored Glycine 0 CA--C 1.53 0.973 0 C-N-CA 126.406 1.955 . . . . 0.0 111.907 170.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.75 -44.46 85.84 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 118.185 0.992 . . . . 0.0 109.238 174.201 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.193 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 -175.354 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 363' ' ' ARG . . . . . . . . . . . . . 9.3 tmm_? . . . . . 0 N--CA 1.493 1.702 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -68.78 150.52 47.76 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.242 0.617 . . . . 0.0 110.247 174.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 365' ' ' HIS . . . . . 0.582 ' CG ' ' H ' ' B' ' 366' ' ' SER . 78.2 t60 54.98 -179.23 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.462 1.905 . . . . 0.0 114.007 174.481 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 366' ' ' SER . . . . . 0.582 ' H ' ' CG ' ' B' ' 365' ' ' HIS . 16.5 m -70.54 175.93 4.47 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.236 1.414 . . . . 0.0 109.5 169.286 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 8.2 m -60.96 -26.4 67.52 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 -175.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 368' ' ' HIS . . . . . . . . . . . . . 11.8 t60 42.23 -109.2 0.11 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.788 1.635 . . . . 0.0 110.38 -173.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 5.8 tp -158.15 140.88 14.68 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 104.759 -2.311 . . . . 0.0 104.759 -175.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 370' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.448 0 C-N-CA 124.926 1.291 . . . . 0.0 112.442 172.609 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 371' ' ' SER . . . . . . . . . . . . . 2.6 p 55.66 -1.86 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 129.4 3.08 . . . . 0.0 116.844 169.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 372' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -82.33 115.3 21.32 Favored 'General case' 0 CA--C 1.53 0.201 0 O-C-N 121.054 -1.029 . . . . 0.0 109.024 -173.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 373' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt 48.67 31.34 2.96 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.711 1.605 . . . . 0.0 113.244 172.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 374' ' ' GLY . . . . . . . . . . . . . . . 150.33 -169.62 30.29 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 108.422 -1.871 . . . . 0.0 108.422 -170.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -59.97 -36.43 77.12 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 117.326 0.563 . . . . 0.0 110.779 175.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 40.7 m -153.65 165.57 35.54 Favored 'General case' 0 C--O 1.242 0.663 0 C-N-CA 125.858 1.663 . . . . 0.0 108.335 175.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 3.2 m . . . . . 0 C--O 1.254 1.302 0 C-N-CA 125.149 1.38 . . . . 0.0 110.122 172.079 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.699 0 CA-C-O 121.29 0.383 . . . . 0.0 112.552 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 13.4 t60 -150.63 171.1 17.65 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 125.593 1.557 . . . . 0.0 108.483 178.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 75.1 mtm -59.31 150.9 24.7 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.693 0.797 . . . . 0.0 110.279 171.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 58.4 t30 -66.67 154.86 39.54 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 171.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 18.0 m -65.13 96.19 0.2 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.094 0.957 . . . . 0.0 109.913 173.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 88.1 m-85 67.66 -63.96 0.29 Allowed 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 127.973 2.509 . . . . 0.0 114.342 169.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 6.4 t -58.67 115.12 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 C-N-CA 125.673 1.589 . . . . 0.0 108.662 -173.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 114.12 -22.81 13.5 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 125.145 1.355 . . . . 0.0 112.388 179.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 8.9 mp -75.2 138.76 42.18 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 118.955 1.378 . . . . 0.0 111.105 -173.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 54.3 mtp180 -78.23 128.26 33.47 Favored 'General case' 0 C--O 1.23 0.056 0 N-CA-C 105.523 -2.028 . . . . 0.0 105.523 168.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 19.0 m -145.81 -172.18 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 C-N-CA 125.751 1.62 . . . . 0.0 107.838 -175.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 5.1 t -122.73 147.63 26.85 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.114 0 N-CA-C 105.689 -1.967 . . . . 0.0 105.689 169.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -145.22 152.03 39.34 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 124.362 1.065 . . . . 0.0 108.318 -169.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 82.1 tttt -82.59 134.56 35.18 Favored 'General case' 0 CA--C 1.507 -0.674 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 178.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 27.8 t-105 -83.26 90.49 7.13 Favored 'General case' 0 N--CA 1.44 -0.974 0 N-CA-C 105.12 -2.178 . . . . 0.0 105.12 169.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 11.8 m -56.89 -25.93 57.93 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.929 1.292 . . . . 0.0 112.578 -172.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 8.2 m -67.8 -7.51 28.27 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.15 0.98 . . . . 0.0 113.219 178.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 39.8 t30 -149.67 -52.5 0.15 Allowed 'General case' 0 C--N 1.349 0.555 0 CA-C-N 120.303 1.41 . . . . 0.0 114.123 168.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . 164.87 -44.79 0.29 Allowed Glycine 0 C--N 1.344 1.013 0 N-CA-C 118.088 1.995 . . . . 0.0 118.088 -179.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 4.5 m-30 -78.38 163.4 25.69 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.634 1.717 . . . . 0.0 111.887 -169.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 2.2 m-30 -110.93 112.99 25.21 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 -169.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -108.59 151.8 25.63 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 125.698 1.599 . . . . 0.0 108.65 -172.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 3.9 m -74.07 150.42 40.6 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 123.077 0.551 . . . . 0.0 110.299 178.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -173.58 -175.22 41.14 Favored Glycine 0 C--N 1.332 0.344 0 O-C-N 121.551 -0.718 . . . . 0.0 111.94 -175.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -128.35 129.53 46.39 Favored 'General case' 0 CA--C 1.516 -0.351 0 C-N-CA 125.98 1.712 . . . . 0.0 106.817 -173.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 16.6 mt -72.47 130.87 35.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 106.905 -1.517 . . . . 0.0 106.905 179.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 65.6 p -105.81 -36.83 6.9 Favored 'General case' 0 CA--C 1.519 -0.24 0 C-N-CA 123.109 0.563 . . . . 0.0 110.513 -171.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.81 142.21 3.59 Favored 'General case' 0 C--N 1.344 0.343 0 C-N-CA 123.934 0.894 . . . . 0.0 111.21 177.202 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 7.4 t0 -69.49 102.92 1.91 Allowed 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 125.143 1.377 . . . . 0.0 107.748 168.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.5 t -64.9 -50.23 76.08 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 -175.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 146.66 165.41 11.61 Favored Glycine 0 C--N 1.337 0.612 0 N-CA-C 109.763 -1.335 . . . . 0.0 109.763 177.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 59.71 4.74 0.59 Allowed 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 115.262 1.579 . . . . 0.0 115.262 178.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 107.93 -7.27 35.59 Favored Glycine 0 CA--C 1.525 0.7 0 C-N-CA 124.749 1.166 . . . . 0.0 111.075 -173.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -74.61 138.03 42.7 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 120.462 2.131 . . . . 0.0 108.159 169.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -127.26 136.96 52.72 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 104.902 -2.258 . . . . 0.0 104.902 169.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -83.81 137.72 33.58 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 176.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.0 mm? -124.63 119.13 28.13 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 125.1 1.36 . . . . 0.0 108.144 -169.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 32.8 tp -83.75 94.31 8.13 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 103.929 -2.619 . . . . 0.0 103.929 169.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -55.85 148.47 16.82 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 172.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -65.6 -14.49 61.26 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.2 0.6 . . . . 0.0 112.351 -169.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 18.5 p-10 -90.34 0.78 57.1 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.686 1.594 . . . . 0.0 113.495 174.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 110.06 -6.0 30.63 Favored Glycine 0 CA--C 1.532 1.139 0 C-N-CA 124.926 1.25 . . . . 0.0 114.755 168.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -79.47 154.58 28.79 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 118.226 1.013 . . . . 0.0 109.415 -175.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -139.35 118.07 12.32 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 -175.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 10.7 m -145.93 158.14 43.87 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.819 1.248 . . . . 0.0 107.896 -178.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -80.75 143.0 33.25 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 171.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 88.9 t -141.88 139.65 30.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 N-CA-C 107.0 -1.482 . . . . 0.0 107.0 177.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.0 mt -77.68 150.82 34.47 Favored 'General case' 0 C--O 1.22 -0.491 0 O-C-N 121.819 -0.551 . . . . 0.0 111.022 179.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -54.89 -35.06 57.99 Favored Glycine 0 CA--C 1.523 0.589 0 C-N-CA 124.744 1.164 . . . . 0.0 112.743 -178.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.81 -33.14 64.16 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 117.711 0.756 . . . . 0.0 110.415 176.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -100.49 23.15 10.68 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 125.93 1.692 . . . . 0.0 111.992 -170.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -131.22 136.82 56.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 N-CA-C 106.652 -1.61 . . . . 0.0 106.652 179.33 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 62.5 mt -118.36 113.71 21.82 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 127.592 2.357 . . . . 0.0 104.813 -174.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.36 -2.4 16.68 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 116.535 2.05 . . . . 0.0 116.535 -169.126 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 23.5 p -130.45 57.54 1.71 Allowed 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 104.076 -2.565 . . . . 0.0 104.076 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1536 ' ' ASP . . . . . 0.409 ' CG ' HH21 ' A' 1583 ' ' ARG . 6.2 p-10 -98.63 19.23 0.04 OUTLIER Pre-proline 0 CA--C 1.543 0.709 0 N-CA-C 120.858 3.651 . . . . 0.0 120.858 -168.061 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -57.63 113.13 1.37 Allowed 'Trans proline' 0 CA--C 1.541 0.844 0 CA-C-N 125.005 2.823 . . . . 0.0 105.492 168.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 15.8 mm -60.94 124.32 79.33 Favored Pre-proline 0 CA--C 1.537 0.467 0 CA-C-O 118.376 -0.821 . . . . 0.0 109.559 -167.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -62.07 141.23 88.05 Favored 'Trans proline' 0 N--CA 1.451 -1.009 0 C-N-CA 121.724 1.616 . . . . 0.0 110.056 174.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 4.1 mp -56.7 144.26 33.18 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 169.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 21.3 t70 82.24 -7.74 1.31 Allowed 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 127.442 2.297 . . . . 0.0 113.512 -176.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 18.3 m -68.77 136.47 52.84 Favored 'General case' 0 C--O 1.239 0.513 0 O-C-N 120.972 -1.08 . . . . 0.0 108.497 170.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -79.27 137.07 37.23 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 171.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 1.8 m -145.56 160.27 12.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 124.359 1.063 . . . . 0.0 109.172 -176.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 35.2 m -89.73 139.26 30.74 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 105.617 -1.994 . . . . 0.0 105.617 169.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -113.36 144.97 41.86 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 125.187 1.395 . . . . 0.0 107.782 176.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -139.06 114.09 9.41 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 123.897 0.879 . . . . 0.0 109.775 -169.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 18.9 m -62.14 150.17 39.37 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 105.768 -1.938 . . . . 0.0 105.768 167.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -61.82 -17.6 56.89 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 115.137 1.532 . . . . 0.0 115.137 -168.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 20.2 t0 -86.04 -62.51 1.5 Allowed 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 119.552 1.069 . . . . 0.0 111.157 178.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -167.83 -13.48 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 173.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -59.3 122.67 14.47 Favored 'General case' 0 C--N 1.341 0.229 0 CA-C-N 119.953 1.252 . . . . 0.0 110.108 -170.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -115.94 133.0 56.48 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 125.412 1.485 . . . . 0.0 110.57 -168.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 1.1 p -152.36 178.14 9.84 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.669 1.588 . . . . 0.0 108.876 173.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -136.17 158.93 43.24 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 119.967 1.258 . . . . 0.0 111.31 174.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -171.48 -160.69 20.62 Favored Glycine 0 CA--C 1.528 0.849 0 N-CA-C 108.776 -1.73 . . . . 0.0 108.776 -172.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.8 t -131.32 143.54 40.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-N 118.279 1.04 . . . . 0.0 109.024 -174.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 80.3 t -66.49 125.14 23.14 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 173.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 86.4 mttt -134.27 22.45 3.76 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 118.999 0.818 . . . . 0.0 112.039 171.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -179.44 171.36 43.14 Favored Glycine 0 C--N 1.34 0.805 0 O-C-N 121.322 -0.861 . . . . 0.0 111.528 169.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 8.3 m80 -137.17 154.72 50.16 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.793 1.637 . . . . 0.0 110.555 -177.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 47.8 ttt180 -150.7 160.69 43.67 Favored 'General case' 0 N--CA 1.461 0.094 0 C-N-CA 125.198 1.399 . . . . 0.0 107.264 170.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -131.6 126.69 35.4 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 106.173 -1.788 . . . . 0.0 106.173 169.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -150.99 138.93 19.94 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -174.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 40.6 m 49.86 30.77 4.09 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 176.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 68.11 34.1 80.34 Favored Glycine 0 CA--C 1.53 0.97 0 CA-C-O 119.326 -0.708 . . . . 0.0 112.426 -178.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -138.74 147.13 42.29 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 105.763 -1.94 . . . . 0.0 105.763 175.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 55.8 tp -93.89 134.28 36.43 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 125.326 1.45 . . . . 0.0 107.603 -175.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -124.33 155.02 39.45 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 125.141 1.376 . . . . 0.0 108.966 -172.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -137.45 131.92 32.62 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 106.85 -1.537 . . . . 0.0 106.85 -174.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.9 t -85.96 98.82 11.03 Favored 'General case' 0 CA--C 1.514 -0.432 0 N-CA-C 102.773 -3.047 . . . . 0.0 102.773 169.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 31.2 mm -80.09 125.8 39.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 105.255 -2.128 . . . . 0.0 105.255 173.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -82.87 115.92 21.96 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 102.552 -3.129 . . . . 0.0 102.552 168.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 19.7 ttpt -141.37 135.83 30.85 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 104.668 -2.345 . . . . 0.0 104.668 -170.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 54.69 25.94 7.0 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 122.96 0.504 . . . . 0.0 111.705 -172.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 78.56 15.19 81.22 Favored Glycine 0 CA--C 1.53 1.016 0 CA-C-O 118.834 -0.981 . . . . 0.0 113.53 177.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -142.62 156.01 45.02 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 118.742 1.271 . . . . 0.0 110.509 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 69.6 mtp180 -79.1 135.57 36.89 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 124.023 0.929 . . . . 0.0 109.393 -174.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -142.49 129.6 20.86 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 106.384 -1.71 . . . . 0.0 106.384 -179.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 90.6 m95 -80.99 126.4 31.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 118.551 0.614 . . . . 0.0 109.88 178.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -128.89 161.8 29.01 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 106.792 -1.558 . . . . 0.0 106.792 169.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -107.69 165.87 11.11 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.658 1.183 . . . . 0.0 110.113 -175.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1583 ' ' ARG . . . . . 0.409 HH21 ' CG ' ' A' 1536 ' ' ASP . 76.1 ttt180 -51.37 -44.2 62.04 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 120.152 1.342 . . . . 0.0 113.296 -175.33 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -68.63 -26.62 65.43 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 121.209 1.822 . . . . 0.0 112.471 177.667 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -87.56 -3.83 58.98 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.767 1.227 . . . . 0.0 111.346 179.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 88.2 t -118.36 93.01 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 N-CA-C 105.11 -2.182 . . . . 0.0 105.11 -179.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 7.8 pt -108.73 167.7 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 N-CA-C 107.343 -1.354 . . . . 0.0 107.343 -174.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 5.6 mt -113.35 124.72 53.12 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 -176.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.62 144.3 56.36 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 105.418 -2.068 . . . . 0.0 105.418 168.511 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.3 pp -52.59 -36.78 56.79 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 -168.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -65.42 -37.75 87.88 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -177.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -79.37 -43.3 23.74 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 -177.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -55.09 -33.73 57.79 Favored Glycine 0 CA--C 1.526 0.754 0 C-N-CA 123.377 0.513 . . . . 0.0 111.979 174.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -62.88 -44.3 96.47 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 118.339 1.069 . . . . 0.0 111.432 176.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 40.7 mtt180 -61.63 -16.67 50.5 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 112.557 0.576 . . . . 0.0 112.557 176.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.9 mp -95.83 -30.16 13.83 Favored 'General case' 0 C--N 1.342 0.279 0 C-N-CA 123.5 0.72 . . . . 0.0 110.588 171.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 68.0 ttp85 -56.63 -38.51 72.2 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.148 1.379 . . . . 0.0 111.785 -176.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -58.0 -22.62 50.43 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 118.545 -0.741 . . . . 0.0 112.962 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -115.28 -45.58 2.93 Favored 'General case' 0 C--N 1.348 0.521 0 CA-C-N 119.611 1.096 . . . . 0.0 112.382 178.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 8.0 m-30 -92.13 -8.04 46.82 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 123.977 0.911 . . . . 0.0 112.625 -169.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -56.8 131.92 51.9 Favored Glycine 0 CA--C 1.525 0.682 0 C-N-CA 125.335 1.445 . . . . 0.0 110.875 179.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.96 -45.54 81.36 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 118.55 1.175 . . . . 0.0 109.037 174.065 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.12 0 N-CA-C 109.651 -1.379 . . . . 0.0 109.651 -174.747 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 363' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 . . . . . 0 N--CA 1.494 1.728 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -138.28 75.6 1.53 Allowed 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.334 1.454 . . . . 0.0 107.083 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 365' ' ' HIS . . . . . . . . . . . . . 41.0 t60 63.97 171.33 0.17 Allowed 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 126.511 1.925 . . . . 0.0 111.819 -169.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 366' ' ' SER . . . . . . . . . . . . . 40.5 m -71.69 176.71 4.62 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.152 0.981 . . . . 0.0 109.663 169.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 5.7 m -57.19 -23.93 51.01 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.111 0.964 . . . . 0.0 113.333 176.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 368' ' ' HIS . . . . . . . . . . . . . 4.5 t60 58.62 -68.34 0.03 OUTLIER 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 128.117 2.567 . . . . 0.0 112.606 -169.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 369' ' ' LEU . . . . . 0.452 ' HG ' ' H ' ' B' ' 371' ' ' SER . 44.8 tp -163.86 -71.69 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 119.995 1.27 . . . . 0.0 111.254 -176.66 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 370' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.973 0 C-N-CA 127.105 2.162 . . . . 0.0 114.8 -175.707 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 371' ' ' SER . . . . . 0.452 ' H ' ' HG ' ' B' ' 369' ' ' LEU 0.296 18.0 p 48.6 12.23 0.04 OUTLIER 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 129.738 3.215 . . . . 0.0 116.154 177.568 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 372' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -149.13 166.79 27.72 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.155 1.382 . . . . 0.0 110.383 174.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 373' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm 48.94 34.77 5.79 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.733 1.613 . . . . 0.0 112.806 175.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 374' ' ' GLY . . . . . . . . . . . . . . . 174.05 165.46 30.7 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 109.432 -1.467 . . . . 0.0 109.432 176.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 49.33 31.01 3.5 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.101 1.36 . . . . 0.0 112.695 -177.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 1.2 p -67.31 -24.76 65.78 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.741 1.216 . . . . 0.0 112.391 179.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 24.1 m . . . . . 0 C--O 1.252 1.217 0 C-N-CA 126.343 1.857 . . . . 0.0 106.32 179.484 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.515 0 N-CA-C 111.678 -0.569 . . . . 0.0 111.678 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -149.34 174.81 12.03 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.156 1.382 . . . . 0.0 108.312 177.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? 49.23 51.19 16.73 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.626 1.17 . . . . 0.0 110.31 -173.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 35.1 t30 -140.89 137.07 32.92 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 124.3 1.04 . . . . 0.0 108.737 -172.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 14.3 m 40.42 67.68 0.48 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.813 1.645 . . . . 0.0 111.717 -176.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 89.5 m-85 77.12 -54.49 0.55 Allowed 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 127.459 2.303 . . . . 0.0 112.739 176.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 3.1 t -64.69 125.45 21.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -170.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 101.59 -23.76 33.91 Favored Glycine 0 CA--C 1.529 0.954 0 C-N-CA 125.499 1.523 . . . . 0.0 113.177 -178.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 49.1 mt -69.73 135.43 49.77 Favored 'General case' 0 C--N 1.342 0.275 0 CA-C-N 119.217 1.509 . . . . 0.0 111.58 -173.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 58.2 mtm180 -77.62 127.16 32.01 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 105.897 -1.89 . . . . 0.0 105.897 168.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 20.3 m -146.86 -174.48 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 C-N-CA 125.506 1.522 . . . . 0.0 107.13 -173.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 1.9 t -120.51 148.07 23.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 106.114 -1.81 . . . . 0.0 106.114 171.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -148.33 150.25 33.27 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 123.892 0.877 . . . . 0.0 109.259 -170.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 78.1 tttt -82.94 132.65 35.14 Favored 'General case' 0 CA--C 1.513 -0.465 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 178.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 23.6 t-105 -77.9 136.17 37.99 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 169.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 1.5 m -60.54 -21.66 62.76 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 117.999 2.592 . . . . 0.0 117.999 -168.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 13.3 m -77.11 46.73 0.5 Allowed 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 121.03 1.741 . . . . 0.0 111.61 178.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 66.1 t30 45.56 44.55 10.11 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.464 1.905 . . . . 0.0 111.175 -169.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -90.85 -177.78 43.74 Favored Glycine 0 C--N 1.341 0.813 0 CA-C-O 122.524 1.069 . . . . 0.0 114.421 -169.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 11.1 m-30 -69.73 168.44 14.97 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 126.323 1.849 . . . . 0.0 110.248 170.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -93.34 107.52 19.33 Favored 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 105.264 -2.125 . . . . 0.0 105.264 -178.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -99.0 152.55 19.69 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.279 1.032 . . . . 0.0 108.274 -176.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 5.2 m -75.14 148.54 39.55 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.432 0.693 . . . . 0.0 110.21 178.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -171.26 179.99 42.73 Favored Glycine 0 CA--C 1.523 0.558 0 O-C-N 121.766 -0.584 . . . . 0.0 111.717 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.54 134.86 54.71 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 106.373 -1.714 . . . . 0.0 106.373 177.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 7.7 mt -70.49 134.25 30.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 171.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 70.0 p -109.12 -35.06 6.41 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 123.087 0.555 . . . . 0.0 110.455 -171.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.63 143.69 3.38 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.314 1.046 . . . . 0.0 111.558 175.54 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 7.2 t0 -69.82 102.9 2.04 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.249 1.42 . . . . 0.0 108.647 169.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.3 t -65.22 -49.97 76.17 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -176.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 145.62 164.8 10.98 Favored Glycine 0 C--N 1.338 0.653 0 N-CA-C 109.911 -1.276 . . . . 0.0 109.911 178.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 60.04 4.93 0.68 Allowed 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 115.151 1.537 . . . . 0.0 115.151 177.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 108.41 -7.8 34.73 Favored Glycine 0 C--N 1.337 0.626 0 C-N-CA 124.903 1.24 . . . . 0.0 110.938 -173.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -75.4 138.03 41.43 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 120.09 1.945 . . . . 0.0 108.506 169.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -128.11 137.4 52.1 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 105.197 -2.149 . . . . 0.0 105.197 169.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 29.7 ttpt -83.84 139.56 32.58 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 177.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 2.8 mm? -124.99 118.31 25.95 Favored 'General case' 0 CA--C 1.51 -0.595 0 C-N-CA 125.104 1.361 . . . . 0.0 108.614 -169.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 40.7 tp -83.39 93.94 7.87 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 104.3 -2.481 . . . . 0.0 104.3 168.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -56.36 146.35 24.39 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 170.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -64.41 -20.86 66.42 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -170.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -81.69 3.46 25.41 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.381 1.472 . . . . 0.0 113.204 174.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 103.88 -4.01 45.59 Favored Glycine 0 CA--C 1.528 0.869 0 C-N-CA 125.243 1.402 . . . . 0.0 114.8 169.189 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -80.91 153.88 27.33 Favored 'General case' 0 C--O 1.231 0.089 0 CA-C-N 118.189 0.994 . . . . 0.0 109.267 -175.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -141.43 117.63 10.69 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 -176.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 85.5 m -144.76 162.72 36.05 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 125.231 1.413 . . . . 0.0 107.936 174.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -75.72 145.32 40.96 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 170.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 93.8 t -140.79 139.81 34.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 106.885 -1.524 . . . . 0.0 106.885 173.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.8 mt -77.38 150.67 35.07 Favored 'General case' 0 CA--C 1.51 -0.571 0 C-N-CA 122.941 0.497 . . . . 0.0 111.227 178.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -53.45 -35.57 51.36 Favored Glycine 0 CA--C 1.523 0.56 0 C-N-CA 124.952 1.263 . . . . 0.0 113.27 -179.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.97 -29.4 63.21 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 117.528 0.664 . . . . 0.0 110.891 177.361 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -106.14 21.83 16.7 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 126.03 1.732 . . . . 0.0 111.845 -170.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -131.63 132.61 62.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 N-CA-C 105.86 -1.904 . . . . 0.0 105.86 178.27 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 9.9 mp -117.82 119.87 36.21 Favored 'General case' 0 CA--C 1.516 -0.332 0 N-CA-C 104.521 -2.4 . . . . 0.0 104.521 -174.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.3 -2.81 13.93 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 116.971 2.211 . . . . 0.0 116.971 -168.155 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 24.3 p -132.01 50.39 2.24 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 106.163 -1.792 . . . . 0.0 106.163 -177.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 54.5 t0 -116.87 60.49 2.36 Favored Pre-proline 0 CA--C 1.539 0.554 0 N-CA-C 116.28 1.956 . . . . 0.0 116.28 -168.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -71.73 122.4 8.5 Favored 'Trans proline' 0 CA--C 1.544 1.013 1 N-CA-C 100.743 -4.368 . . . . 0.0 100.743 165.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 7.0 mm -59.9 124.05 74.89 Favored Pre-proline 0 CA--C 1.542 0.643 0 CA-C-N 119.13 0.877 . . . . 0.0 108.974 -168.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -62.92 142.71 89.36 Favored 'Trans proline' 0 N--CA 1.453 -0.909 0 C-N-CA 121.992 1.794 . . . . 0.0 110.265 176.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 3.9 mp -57.47 147.46 26.45 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 169.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 21.2 t70 75.86 -5.78 2.11 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 127.169 2.188 . . . . 0.0 113.681 -176.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 24.0 m -70.11 134.06 47.79 Favored 'General case' 0 C--O 1.239 0.524 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 170.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -76.73 137.67 39.48 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 170.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 2.6 m -146.54 162.56 9.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 124.699 1.2 . . . . 0.0 109.297 -176.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 7.7 m -89.07 143.04 27.13 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 105.725 -1.954 . . . . 0.0 105.725 169.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -120.03 136.72 54.46 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 125.661 1.585 . . . . 0.0 107.254 177.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.69 113.69 9.3 Favored 'General case' 0 CA--C 1.515 -0.4 0 C-N-CA 123.646 0.779 . . . . 0.0 110.354 -170.042 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 11.8 m -64.13 138.33 58.4 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 105.226 -2.139 . . . . 0.0 105.226 168.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -62.15 13.62 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 117.468 2.396 . . . . 0.0 117.468 -169.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 32.9 t70 -109.22 -57.28 2.18 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 119.426 1.012 . . . . 0.0 110.527 171.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -170.1 -19.1 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 174.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -58.77 121.41 11.01 Favored 'General case' 0 C--N 1.344 0.351 0 CA-C-N 119.147 0.885 . . . . 0.0 109.317 -171.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 1.7 t80 -121.46 133.81 55.06 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 125.08 1.352 . . . . 0.0 110.389 -168.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 2.5 p -152.25 178.44 9.5 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.73 1.612 . . . . 0.0 109.37 171.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -135.05 157.35 47.15 Favored 'General case' 0 CA--C 1.534 0.335 0 O-C-N 120.798 -1.189 . . . . 0.0 111.051 172.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.29 -161.57 21.07 Favored Glycine 0 CA--C 1.527 0.825 0 C-N-CA 126.334 1.921 . . . . 0.0 109.194 -171.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.5 t -130.33 143.72 40.13 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-N 118.824 1.312 . . . . 0.0 109.539 -173.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 85.0 t -66.89 128.69 30.52 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 173.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -133.36 14.67 4.14 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.59 1.156 . . . . 0.0 111.764 171.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -176.67 173.61 46.41 Favored Glycine 0 C--N 1.339 0.719 0 CA-C-N 119.242 0.928 . . . . 0.0 111.921 171.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 8.4 m80 -138.04 153.45 49.36 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 126.304 1.842 . . . . 0.0 110.3 -175.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 29.7 ttt85 -148.28 159.29 44.13 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 170.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 12.0 mmtp -127.58 133.17 49.75 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 105.991 -1.855 . . . . 0.0 105.991 169.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -148.14 131.3 16.39 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 -178.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 33.4 m 47.13 39.15 7.68 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.126 1.371 . . . . 0.0 113.38 176.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 74.08 27.4 66.45 Favored Glycine 0 CA--C 1.53 0.995 0 CA-C-O 119.261 -0.744 . . . . 0.0 112.677 176.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -140.55 156.78 46.2 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 119.021 1.411 . . . . 0.0 108.315 176.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 32.1 tp -101.4 143.19 31.73 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 125.11 1.364 . . . . 0.0 110.102 -169.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -133.44 158.16 43.78 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 126.007 1.723 . . . . 0.0 108.58 -174.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -140.91 135.15 30.99 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 -174.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 48.5 t -86.61 103.65 15.3 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 102.342 -3.207 . . . . 0.0 102.342 168.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 29.3 mm -83.86 123.47 38.89 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.564 0 N-CA-C 105.5 -2.037 . . . . 0.0 105.5 172.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -83.0 121.67 27.3 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 103.112 -2.922 . . . . 0.0 103.112 168.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -143.14 135.07 26.86 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 104.956 -2.238 . . . . 0.0 104.956 -171.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 54.49 26.41 7.15 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.326 0.65 . . . . 0.0 111.965 -173.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 77.43 17.54 79.08 Favored Glycine 0 CA--C 1.53 0.977 0 CA-C-O 118.795 -1.003 . . . . 0.0 113.268 177.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -141.45 155.43 45.86 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 118.615 1.208 . . . . 0.0 110.414 178.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -80.47 139.35 36.46 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.898 0.879 . . . . 0.0 109.642 -174.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -144.75 127.07 15.81 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 106.45 -1.685 . . . . 0.0 106.45 178.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 93.0 m95 -80.87 131.48 35.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 118.848 0.749 . . . . 0.0 110.181 177.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -132.48 162.65 30.66 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.076 1.35 . . . . 0.0 108.305 169.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -102.74 164.66 11.5 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.349 1.46 . . . . 0.0 110.101 -175.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 21.9 ttp180 -51.71 -43.26 62.74 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 120.297 1.408 . . . . 0.0 114.179 -177.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.03 -21.28 62.29 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 121.463 1.938 . . . . 0.0 112.884 177.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -86.95 -8.31 57.34 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 124.566 1.147 . . . . 0.0 111.197 178.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 71.8 t -118.93 92.21 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 N-CA-C 105.297 -2.112 . . . . 0.0 105.297 -176.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 14.7 pt -110.81 160.03 10.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 -172.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 6.1 mt -103.63 118.23 36.23 Favored 'General case' 0 CA--C 1.511 -0.54 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 -176.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.06 137.44 51.19 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 105.513 -2.032 . . . . 0.0 105.513 169.336 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.6 pp -50.47 -38.55 44.43 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -168.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -69.94 -35.39 74.47 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.125 0.875 . . . . 0.0 110.033 -177.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -69.69 -47.42 63.26 Favored 'General case' 0 C--O 1.227 -0.08 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 176.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -62.31 -31.56 79.68 Favored Glycine 0 C--N 1.338 0.679 0 CA-C-O 119.647 -0.53 . . . . 0.0 112.104 -179.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -58.62 -41.61 86.31 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 118.976 1.388 . . . . 0.0 111.704 177.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 29.3 mtp85 -61.36 -16.23 44.13 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.032 0.533 . . . . 0.0 112.337 178.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 7.4 mp -103.75 -26.74 12.62 Favored 'General case' 0 C--N 1.341 0.221 0 C-N-CA 124.82 1.248 . . . . 0.0 110.241 175.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 9.0 tmm_? -59.51 -37.9 79.51 Favored 'General case' 0 C--O 1.224 -0.264 0 C-N-CA 124.356 1.062 . . . . 0.0 110.395 -176.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -57.59 -20.63 33.81 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.843 0.857 . . . . 0.0 113.233 178.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -114.18 -47.25 2.95 Favored 'General case' 0 C--N 1.345 0.39 0 CA-C-N 119.658 1.117 . . . . 0.0 111.61 179.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 11.7 m-30 -90.08 -17.67 27.31 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 124.183 0.993 . . . . 0.0 112.467 -169.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -43.9 130.5 6.62 Favored Glycine 0 CA--C 1.529 0.916 0 C-N-CA 126.224 1.868 . . . . 0.0 111.784 170.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.37 -43.32 91.12 Favored 'General case' 0 C--N 1.342 0.248 0 CA-C-N 118.126 0.963 . . . . 0.0 109.252 174.722 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.251 0 N-CA-C 109.305 -1.518 . . . . 0.0 109.305 -174.128 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 363' ' ' ARG . . . . . . . . . . . . . 22.9 tpp85 . . . . . 0 N--CA 1.495 1.777 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -73.3 -32.26 64.52 Favored 'General case' 0 C--N 1.346 0.429 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -170.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 365' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -153.43 169.7 22.51 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 123.881 0.872 . . . . 0.0 110.004 -172.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 366' ' ' SER . . . . . . . . . . . . . 24.9 m -57.96 168.45 0.96 Allowed 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.893 1.277 . . . . 0.0 111.035 169.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 5.7 m -59.02 -22.3 60.45 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -179.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 368' ' ' HIS . . . . . . . . . . . . . 19.4 t60 47.51 -98.09 0.04 OUTLIER 'General case' 0 C--N 1.343 0.3 0 C-N-CA 126.749 2.02 . . . . 0.0 110.689 -171.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 369' ' ' LEU . . . . . 0.457 ' HG ' ' H ' ' B' ' 371' ' ' SER . 9.0 tp -158.96 140.97 13.7 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 105.111 -2.181 . . . . 0.0 105.111 -179.154 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 370' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.431 0 C-N-CA 125.693 1.597 . . . . 0.0 109.136 170.764 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 371' ' ' SER . . . . . 0.457 ' H ' ' HG ' ' B' ' 369' ' ' LEU . 0.8 OUTLIER 40.68 53.27 3.13 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 129.004 2.922 . . . . 0.0 116.224 169.013 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 372' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -136.5 139.2 42.12 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.412 0.685 . . . . 0.0 109.342 169.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 373' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -59.75 143.02 52.03 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 170.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 374' ' ' GLY . . . . . . . . . . . . . . . 113.1 -38.48 3.2 Favored Glycine 0 CA--C 1.527 0.842 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 -172.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -63.39 -40.98 98.68 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 169.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 50.3 m -143.2 156.09 44.68 Favored 'General case' 0 C--O 1.24 0.587 0 C-N-CA 127.751 2.421 . . . . 0.0 105.55 169.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 20.9 m . . . . . 0 C--O 1.253 1.271 0 N-CA-C 106.725 -1.583 . . . . 0.0 106.725 -174.128 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 89.1 m-85 . . . . . 0 N--CA 1.471 0.577 0 N-CA-C 114.028 1.121 . . . . 0.0 114.028 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 6.0 t -57.65 115.49 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 C-N-CA 125.689 1.596 . . . . 0.0 108.509 -174.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 113.59 -22.21 15.4 Favored Glycine 0 CA--C 1.532 1.121 0 C-N-CA 125.431 1.491 . . . . 0.0 112.475 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 9.8 mp -74.07 139.33 44.58 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.897 1.349 . . . . 0.0 110.91 -173.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -78.81 126.79 31.18 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 105.865 -1.902 . . . . 0.0 105.865 168.602 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 16.1 m -146.1 -175.62 0.53 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 C-N-CA 125.271 1.429 . . . . 0.0 107.944 -173.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 9.6 t -120.08 147.72 23.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 105.218 -2.142 . . . . 0.0 105.218 169.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -148.18 152.06 36.6 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.363 1.065 . . . . 0.0 108.786 -169.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 76.5 tttt -83.38 131.1 35.07 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 14.0 t-105 . . . . . 0 N--CA 1.447 -0.624 0 N-CA-C 107.429 -1.323 . . . . 0.0 107.429 169.063 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 1500 ' ' TYR . . . . . 0.413 ' CG ' ' HA ' ' A' 1589 ' ' SER . 11.7 m-30 . . . . . 0 C--O 1.233 0.209 0 CA-C-O 121.606 0.717 . . . . 0.0 110.705 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -94.63 110.05 21.91 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 106.149 -1.797 . . . . 0.0 106.149 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -103.83 153.39 20.8 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 124.7 1.2 . . . . 0.0 108.544 -176.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 2.6 m -70.34 147.12 49.97 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 123.79 0.836 . . . . 0.0 110.788 177.177 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -170.38 -175.97 39.54 Favored Glycine 0 C--O 1.225 -0.419 0 O-C-N 121.608 -0.683 . . . . 0.0 112.313 -178.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 34.1 mtmt -132.8 128.79 37.52 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 -173.43 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 22.3 mt -72.69 130.99 35.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 106.86 -1.533 . . . . 0.0 106.86 -178.12 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 71.6 p -106.59 -36.98 6.59 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 123.158 0.583 . . . . 0.0 110.483 -170.611 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.48 143.41 4.11 Favored 'General case' 0 C--N 1.344 0.345 0 C-N-CA 124.026 0.931 . . . . 0.0 110.93 176.693 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 7.4 t70 -71.0 103.03 2.56 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 168.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.5 t -64.3 -49.53 80.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 -176.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 148.65 166.2 12.76 Favored Glycine 0 C--N 1.34 0.756 0 N-CA-C 109.582 -1.407 . . . . 0.0 109.582 172.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.88 9.29 0.59 Allowed 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 177.309 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 107.97 -7.66 35.76 Favored Glycine 0 C--N 1.339 0.729 0 C-N-CA 125.133 1.349 . . . . 0.0 111.225 -177.293 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 12.1 mtpp -74.95 134.37 41.54 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-N 119.818 1.809 . . . . 0.0 106.863 170.049 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -125.64 138.07 53.9 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 105.508 -2.034 . . . . 0.0 105.508 169.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 29.2 ttpt -84.9 139.16 32.06 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 176.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.2 mm? -125.96 119.21 27.12 Favored 'General case' 0 CA--C 1.513 -0.473 0 C-N-CA 124.744 1.218 . . . . 0.0 108.6 -169.536 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 40.1 tp -83.88 94.74 8.29 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 104.341 -2.466 . . . . 0.0 104.341 169.133 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -57.08 150.12 17.87 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 173.166 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -61.98 -25.43 67.62 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 121.914 -0.491 . . . . 0.0 111.781 -172.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 30.0 p-10 -78.51 0.34 26.46 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.735 1.214 . . . . 0.0 113.244 175.435 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 103.12 -4.09 48.47 Favored Glycine 0 CA--C 1.532 1.13 0 C-N-CA 125.331 1.443 . . . . 0.0 113.321 169.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -79.23 156.17 28.25 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.181 0.991 . . . . 0.0 109.878 -176.47 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -141.49 117.37 10.48 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 123.757 0.823 . . . . 0.0 108.916 -175.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 87.5 m -144.71 168.35 20.4 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.898 1.679 . . . . 0.0 107.752 174.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -98.19 145.59 26.46 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 123.795 0.838 . . . . 0.0 110.142 178.348 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 96.1 t -144.04 138.82 24.76 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.442 0 N-CA-C 107.805 -1.184 . . . . 0.0 107.805 -172.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 7.3 mt -76.66 150.57 36.36 Favored 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 122.526 0.331 . . . . 0.0 110.603 178.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -53.78 -34.75 51.38 Favored Glycine 0 CA--C 1.523 0.54 0 C-N-CA 124.407 1.003 . . . . 0.0 113.268 -179.411 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.53 -32.69 63.14 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 122.104 -0.645 . . . . 0.0 110.673 177.788 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -101.74 22.88 12.14 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 126.27 1.828 . . . . 0.0 112.226 -170.048 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -130.23 135.88 59.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 179.66 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 42.0 mt -115.84 110.99 19.81 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 104.883 -2.266 . . . . 0.0 104.883 -175.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1534 ' ' LEU . . . . . 0.545 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -105.69 -2.9 22.77 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 116.761 2.134 . . . . 0.0 116.761 -169.275 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 21.8 p -134.27 49.43 2.25 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 107.006 -1.479 . . . . 0.0 107.006 -176.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 50.0 t0 -115.48 55.47 1.04 Allowed Pre-proline 0 CA--C 1.541 0.611 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 -168.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -67.21 122.75 10.07 Favored 'Trans proline' 0 CA--C 1.542 0.906 1 N-CA-C 101.158 -4.208 . . . . 0.0 101.158 166.491 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1538 ' ' ILE . . . . . 0.513 HG21 HG11 ' A' 1544 ' ' VAL . 9.5 mm -58.61 117.49 21.05 Favored Pre-proline 0 CA--C 1.538 0.499 0 CA-C-N 119.052 0.842 . . . . 0.0 108.885 -168.019 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -63.02 143.21 90.41 Favored 'Trans proline' 0 N--CA 1.451 -1.023 0 C-N-CA 121.804 1.669 . . . . 0.0 110.049 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1540 ' ' LEU . . . . . 0.434 ' H ' HD12 ' A' 1540 ' ' LEU . 3.7 mp -58.41 147.64 30.7 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 169.567 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 20.3 t70 74.64 -3.6 2.54 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 127.306 2.242 . . . . 0.0 113.707 -175.546 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 30.1 m -70.91 134.65 47.43 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 170.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -77.14 137.1 38.69 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 170.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1544 ' ' VAL . . . . . 0.513 HG11 HG21 ' A' 1538 ' ' ILE . 0.8 OUTLIER -147.53 161.2 7.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 C-N-CA 124.543 1.137 . . . . 0.0 109.667 -174.821 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 2.2 m -89.44 130.23 35.82 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 106.166 -1.791 . . . . 0.0 106.166 169.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -93.41 137.75 32.4 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 170.072 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.25 99.1 3.77 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.482 0.713 . . . . 0.0 110.323 -171.146 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 4.7 m -62.34 123.39 18.1 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 104.363 -2.458 . . . . 0.0 104.363 168.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -54.21 -21.52 9.16 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 115.727 1.751 . . . . 0.0 115.727 -168.565 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 37.7 t70 -67.62 -32.23 72.8 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 118.342 -0.837 . . . . 0.0 112.125 175.665 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 155.55 -20.03 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 129.003 2.921 . . . . 0.0 114.804 169.553 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -53.89 124.86 16.61 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 119.511 1.05 . . . . 0.0 110.399 -169.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 8.7 t80 -117.25 127.0 53.65 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 124.371 1.069 . . . . 0.0 111.015 -169.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 5.1 p -151.65 177.37 10.43 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.684 1.193 . . . . 0.0 109.634 170.054 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -134.69 159.09 42.37 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 119.773 1.17 . . . . 0.0 111.239 174.641 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -171.76 -160.01 19.32 Favored Glycine 0 CA--C 1.528 0.851 0 C-N-CA 126.267 1.889 . . . . 0.0 109.106 -171.007 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.7 t -133.0 142.35 42.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 CA-C-N 118.562 1.181 . . . . 0.0 109.49 -174.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 63.1 t -65.86 126.37 24.95 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 171.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 85.4 mttt -132.74 18.88 4.22 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.865 0.866 . . . . 0.0 111.453 170.388 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -176.97 173.38 46.26 Favored Glycine 0 C--N 1.34 0.754 0 O-C-N 121.338 -0.851 . . . . 0.0 111.953 170.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 8.9 m80 -137.11 154.15 50.35 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 126.524 1.93 . . . . 0.0 110.14 -178.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 . . . . . 0 N--CA 1.456 -0.134 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 172.856 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 24.8 tp . . . . . 0 C--O 1.233 0.205 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -131.96 159.12 39.63 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 126.019 1.728 . . . . 0.0 110.286 -174.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -141.32 132.58 26.53 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 -173.595 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 39.1 t -83.46 107.07 15.71 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 102.412 -3.181 . . . . 0.0 102.412 169.026 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 27.9 mm -88.88 126.03 41.96 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 N-CA-C 105.215 -2.143 . . . . 0.0 105.215 171.166 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -83.36 113.53 20.79 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 102.472 -3.158 . . . . 0.0 102.472 168.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -140.1 127.9 21.9 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 -168.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 48.68 39.95 14.72 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.413 1.085 . . . . 0.0 111.633 -172.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 67.3 28.91 73.77 Favored Glycine 0 CA--C 1.53 1.008 0 CA-C-O 119.075 -0.847 . . . . 0.0 112.893 175.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -136.17 149.81 48.78 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 174.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -91.3 117.3 29.53 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 106.851 -1.537 . . . . 0.0 106.851 175.556 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -129.79 129.8 44.53 Favored 'General case' 0 CA--C 1.522 -0.13 0 N-CA-C 107.326 -1.361 . . . . 0.0 107.326 -169.29 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 91.3 m95 -80.83 123.83 28.58 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -126.46 157.92 37.41 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 169.475 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 57.5 pttt -99.59 166.38 11.17 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.81 1.244 . . . . 0.0 110.008 -178.184 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 20.6 ttp-105 -43.59 -54.79 4.7 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-N 120.243 1.383 . . . . 0.0 112.76 -177.397 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 1.8 ppp? -72.45 -13.25 61.4 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 -174.492 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -94.43 -1.81 52.99 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 126.243 1.817 . . . . 0.0 110.465 171.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 57.8 t -120.46 89.97 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.593 0 N-CA-C 105.839 -1.911 . . . . 0.0 105.839 175.494 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 10.6 pt -111.57 165.55 6.59 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 -171.478 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 11.3 mt -113.29 114.93 27.38 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 -175.632 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1589 ' ' SER . . . . . 0.413 ' HA ' ' CG ' ' A' 1500 ' ' TYR . 5.0 m -57.81 146.03 32.96 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 106.273 -1.751 . . . . 0.0 106.273 169.19 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.8 pp -54.21 -36.78 63.85 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.569 1.077 . . . . 0.0 112.769 -169.575 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -64.86 -40.27 94.88 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.765 0.826 . . . . 0.0 109.795 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -68.04 -49.64 60.18 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.557 1.143 . . . . 0.0 108.143 176.651 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -61.29 -30.86 75.16 Favored Glycine 0 C--N 1.337 0.608 0 C-N-CA 124.241 0.924 . . . . 0.0 112.183 -176.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -53.41 -42.58 67.16 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 118.39 1.095 . . . . 0.0 111.721 174.218 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -61.14 -14.69 26.55 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.632 0.773 . . . . 0.0 112.568 -179.42 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 2.0 mp -109.53 -23.42 11.5 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 124.106 0.963 . . . . 0.0 110.822 176.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 2.4 ttp85 -59.1 -36.51 75.28 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 119.802 1.183 . . . . 0.0 111.612 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -57.63 -23.21 49.91 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 118.197 -0.906 . . . . 0.0 113.355 177.333 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -114.67 -46.77 2.93 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-N 119.765 1.166 . . . . 0.0 112.008 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 9.8 m-30 -91.85 -8.51 46.33 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 124.591 1.156 . . . . 0.0 112.72 -169.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -53.23 128.48 38.28 Favored Glycine 0 CA--C 1.527 0.834 0 C-N-CA 125.4 1.476 . . . . 0.0 110.282 175.449 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1602 ' ' LEU . . . . . 0.545 HD22 HD23 ' A' 1534 ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.466 0.36 0 CA-C-N 118.707 1.254 . . . . 0.0 108.957 174.337 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 86.6 m-85 . . . . . 0 N--CA 1.467 0.411 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 4.1 t -57.27 114.73 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 C-N-CA 125.825 1.65 . . . . 0.0 108.772 -175.131 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 114.55 -22.85 12.75 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 125.376 1.465 . . . . 0.0 112.353 179.132 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 8.4 mp -74.54 140.64 44.6 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 118.912 1.356 . . . . 0.0 110.994 -173.541 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 79.2 mtt85 -81.18 127.69 32.94 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 105.639 -1.985 . . . . 0.0 105.639 168.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 17.4 m -145.85 -177.44 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 125.237 1.415 . . . . 0.0 107.72 -173.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 15.7 t -116.72 143.26 27.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 105.197 -2.149 . . . . 0.0 105.197 169.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -145.34 152.78 40.43 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.613 1.165 . . . . 0.0 108.886 -169.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -82.56 129.48 34.94 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 178.197 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 30.7 t-105 . . . . . 0 C--N 1.326 -0.454 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 169.639 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 1500 ' ' TYR . . . . . 0.402 ' CG ' ' HA ' ' A' 1589 ' ' SER . 11.0 m-30 . . . . . 0 C--O 1.236 0.344 0 CA-C-O 121.575 0.703 . . . . 0.0 110.221 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -96.54 111.12 23.36 Favored 'General case' 0 N--CA 1.446 -0.635 0 N-CA-C 106.275 -1.75 . . . . 0.0 106.275 -176.528 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -105.55 160.13 15.41 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 125.092 1.357 . . . . 0.0 108.788 -175.662 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 57.6 m -72.67 145.43 47.23 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 118.717 0.69 . . . . 0.0 110.353 173.149 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -166.99 179.47 40.71 Favored Glycine 0 C--N 1.333 0.385 0 N-CA-C 111.494 -0.643 . . . . 0.0 111.494 178.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 33.5 mtmt -127.94 128.26 44.77 Favored 'General case' 0 CA--C 1.514 -0.442 0 N-CA-C 106.224 -1.769 . . . . 0.0 106.224 -171.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 23.8 mt -73.59 128.14 35.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 106.849 -1.537 . . . . 0.0 106.849 -177.169 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 62.7 p -103.74 -37.66 7.38 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 123.231 0.612 . . . . 0.0 110.098 -170.178 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -166.86 142.41 4.3 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 124.074 0.949 . . . . 0.0 111.551 176.107 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 6.6 t0 -69.01 102.54 1.63 Allowed 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 125.333 1.453 . . . . 0.0 107.792 168.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.5 t -65.05 -50.34 75.07 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 -175.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 145.95 165.81 11.64 Favored Glycine 0 C--N 1.339 0.735 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 57.25 9.3 0.68 Allowed 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 114.904 1.446 . . . . 0.0 114.904 177.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 103.93 -6.45 47.69 Favored Glycine 0 CA--C 1.525 0.696 0 C-N-CA 125.322 1.439 . . . . 0.0 111.163 -176.207 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 30.5 mtpt -75.09 138.22 41.95 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 119.724 1.762 . . . . 0.0 107.732 171.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -127.52 137.26 52.59 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 105.159 -2.163 . . . . 0.0 105.159 169.595 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 29.1 ttpt -84.26 138.89 32.7 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 177.105 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.1 mm? -125.55 118.78 26.49 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 124.758 1.223 . . . . 0.0 108.654 -169.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 43.6 tp -83.73 94.51 8.17 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 105.16 -2.163 . . . . 0.0 105.16 169.431 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -59.27 151.64 22.73 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 172.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -69.77 -19.21 63.52 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -170.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 44.3 p-10 -76.59 -3.22 36.51 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.821 1.249 . . . . 0.0 112.485 170.173 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 102.55 -2.53 49.62 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 125.941 1.734 . . . . 0.0 113.088 170.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -77.11 157.6 30.93 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 117.896 0.848 . . . . 0.0 109.622 -177.543 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -142.14 120.45 12.31 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 -176.301 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 64.3 m -146.93 168.07 22.38 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 125.325 1.45 . . . . 0.0 107.815 171.057 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -88.0 142.55 27.7 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 124.148 0.979 . . . . 0.0 109.251 176.212 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 90.5 t -141.59 137.17 32.09 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.253 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 -177.602 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.7 mt -75.57 151.14 37.92 Favored 'General case' 0 CA--C 1.513 -0.471 0 C-N-CA 122.945 0.498 . . . . 0.0 112.284 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -55.03 -39.34 68.77 Favored Glycine 0 CA--C 1.521 0.412 0 C-N-CA 124.326 0.965 . . . . 0.0 113.16 -177.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.29 -21.76 64.25 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.387 1.094 . . . . 0.0 112.466 177.32 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -100.64 21.05 14.0 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.744 1.617 . . . . 0.0 111.697 -175.672 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -132.53 137.02 55.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 -179.442 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 63.1 mt -117.88 114.36 23.12 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 127.682 2.393 . . . . 0.0 104.946 -176.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1534 ' ' LEU . . . . . 0.563 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -107.43 -2.06 20.88 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 116.637 2.088 . . . . 0.0 116.637 -169.387 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 24.5 p -135.11 54.07 1.95 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 106.488 -1.671 . . . . 0.0 106.488 -177.031 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 51.4 t0 -118.51 63.09 5.29 Favored Pre-proline 0 CA--C 1.54 0.567 0 N-CA-C 117.192 2.293 . . . . 0.0 117.192 -168.205 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -72.29 122.7 8.57 Favored 'Trans proline' 0 CA--C 1.546 1.102 1 N-CA-C 100.821 -4.338 . . . . 0.0 100.821 165.694 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1538 ' ' ILE . . . . . 0.445 HG21 HG11 ' A' 1544 ' ' VAL . 5.4 mm -60.18 122.1 64.17 Favored Pre-proline 0 CA--C 1.539 0.555 0 CA-C-N 119.509 1.049 . . . . 0.0 109.19 -168.332 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -63.53 143.83 88.72 Favored 'Trans proline' 0 N--CA 1.452 -0.956 0 C-N-CA 121.952 1.768 . . . . 0.0 110.625 178.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 3.4 mp -58.02 149.06 24.21 Favored 'General case' 0 C--O 1.233 0.211 0 O-C-N 121.638 -0.664 . . . . 0.0 109.544 169.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 4.9 t70 72.36 -2.93 2.44 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.944 2.098 . . . . 0.0 113.538 -176.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 25.0 m -69.48 134.93 49.5 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 169.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -75.48 137.31 40.83 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 107.332 -1.359 . . . . 0.0 107.332 170.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1544 ' ' VAL . . . . . 0.445 HG11 HG21 ' A' 1538 ' ' ILE . 0.9 OUTLIER -146.14 158.89 11.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 124.475 1.11 . . . . 0.0 109.709 -176.449 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 2.8 m -90.23 131.29 36.13 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 105.559 -2.015 . . . . 0.0 105.559 169.461 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -97.38 140.16 32.25 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 172.126 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.21 99.23 3.81 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.315 1.046 . . . . 0.0 109.889 -169.713 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 5.3 m -64.19 135.41 56.28 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 105.015 -2.217 . . . . 0.0 105.015 168.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -52.62 -36.66 56.9 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.174 0.59 . . . . 0.0 111.557 -169.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 26.6 t0 -79.95 60.75 3.63 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.232 1.413 . . . . 0.0 110.668 174.335 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 55.15 -14.48 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 120.084 3.365 . . . . 0.0 120.084 172.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -58.52 129.42 41.99 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 122.229 2.286 . . . . 0.0 110.144 -176.516 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 6.5 t80 -125.63 126.07 44.13 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 124.539 1.136 . . . . 0.0 109.783 -169.388 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 4.0 p -151.62 176.99 10.8 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.651 1.18 . . . . 0.0 109.22 169.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -133.84 158.16 44.1 Favored 'General case' 0 C--O 1.233 0.213 0 O-C-N 120.75 -1.219 . . . . 0.0 111.017 174.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -171.75 -158.23 15.37 Favored Glycine 0 CA--C 1.523 0.588 0 C-N-CA 125.998 1.761 . . . . 0.0 108.701 -171.256 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.1 t -133.82 143.8 37.55 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-N 118.562 1.181 . . . . 0.0 109.716 -174.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 64.0 t -65.74 127.78 27.49 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.284 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 171.482 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -131.76 12.89 4.87 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.083 0.953 . . . . 0.0 111.737 171.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -176.51 173.57 46.38 Favored Glycine 0 C--N 1.341 0.839 0 O-C-N 121.291 -0.88 . . . . 0.0 112.076 173.459 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 8.6 m80 -136.7 154.69 50.54 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 126.335 1.854 . . . . 0.0 110.26 -177.052 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 . . . . . 0 N--CA 1.461 0.086 0 N-CA-C 107.37 -1.344 . . . . 0.0 107.37 171.567 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 38.3 tp . . . . . 0 N--CA 1.448 -0.57 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -122.42 156.37 34.17 Favored 'General case' 0 CA--C 1.515 -0.378 0 C-N-CA 125.371 1.468 . . . . 0.0 109.274 -175.203 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1570 ' ' TYR . . . . . 0.401 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 72.3 m-85 -139.61 131.72 28.03 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 106.857 -1.535 . . . . 0.0 106.857 -174.098 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 43.9 t -84.36 103.79 13.83 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 102.798 -3.038 . . . . 0.0 102.798 168.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 26.9 mm -85.37 126.55 40.41 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 N-CA-C 105.471 -2.048 . . . . 0.0 105.471 172.19 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -83.05 115.5 21.89 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 102.568 -3.123 . . . . 0.0 102.568 168.569 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -142.84 135.51 27.82 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 105.406 -2.072 . . . . 0.0 105.406 -169.386 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 52.19 33.25 12.03 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.639 0.775 . . . . 0.0 111.321 -169.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 73.76 15.44 79.47 Favored Glycine 0 CA--C 1.53 0.97 0 CA-C-O 118.933 -0.926 . . . . 0.0 114.195 175.553 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -144.38 157.58 44.19 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 118.707 1.254 . . . . 0.0 110.277 -177.218 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -80.06 135.29 36.32 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.47 0.708 . . . . 0.0 109.463 -173.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -143.1 128.25 18.64 Favored 'General case' 0 N--CA 1.461 0.107 0 N-CA-C 106.872 -1.529 . . . . 0.0 106.872 -178.419 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 92.2 m95 -81.0 128.24 33.48 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.778 -0.576 . . . . 0.0 110.13 177.352 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -131.27 163.81 26.97 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.489 1.516 . . . . 0.0 107.005 169.348 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 62.9 pttt -111.52 166.87 10.77 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.274 1.03 . . . . 0.0 110.266 -177.461 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 23.7 ttp180 -41.69 -55.85 2.83 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 114.66 1.356 . . . . 0.0 114.66 -176.06 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 2.2 ppp? -71.7 -15.54 62.21 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 121.116 1.78 . . . . 0.0 113.847 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -93.15 -1.94 55.85 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.34 1.856 . . . . 0.0 111.068 172.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 75.7 t -120.09 91.02 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 N-CA-C 105.769 -1.938 . . . . 0.0 105.769 176.1 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 8.1 pt -107.93 165.68 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 -173.13 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 8.1 mt -115.2 118.48 33.43 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 106.69 -1.596 . . . . 0.0 106.69 -176.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1589 ' ' SER . . . . . 0.402 ' HA ' ' CG ' ' A' 1500 ' ' TYR . 3.3 m -58.17 145.27 37.67 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 106.416 -1.698 . . . . 0.0 106.416 169.164 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.6 pp -53.48 -35.36 60.49 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -169.678 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -68.1 -36.43 79.77 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.855 0.862 . . . . 0.0 110.582 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -70.78 -48.8 52.41 Favored 'General case' 0 C--O 1.224 -0.272 0 C-N-CA 124.859 1.264 . . . . 0.0 108.016 176.522 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -62.77 -29.27 73.44 Favored Glycine 0 C--N 1.339 0.696 0 C-N-CA 124.218 0.913 . . . . 0.0 112.364 -177.615 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -56.87 -39.22 73.93 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 118.608 1.204 . . . . 0.0 112.279 174.699 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -60.93 -20.54 62.33 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 118.484 0.584 . . . . 0.0 111.656 178.242 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 7.0 mp -98.34 -26.25 14.56 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.623 1.169 . . . . 0.0 110.809 177.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 66.4 ttp85 -56.72 -39.6 74.2 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 119.573 1.079 . . . . 0.0 111.3 -176.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -60.04 -19.71 54.17 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 118.074 -0.965 . . . . 0.0 113.318 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -114.86 -48.47 2.84 Favored 'General case' 0 C--N 1.347 0.487 0 CA-C-N 119.925 1.238 . . . . 0.0 112.428 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 9.4 m-30 -91.51 -9.36 44.71 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.34 1.056 . . . . 0.0 112.283 -170.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -55.97 130.81 49.51 Favored Glycine 0 CA--C 1.526 0.726 0 C-N-CA 125.421 1.486 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1602 ' ' LEU . . . . . 0.563 HD22 HD23 ' A' 1534 ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.342 0.248 0 CA-C-N 118.264 1.032 . . . . 0.0 109.227 174.004 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 84.6 m-85 . . . . . 0 N--CA 1.466 0.339 0 N-CA-C 114.452 1.278 . . . . 0.0 114.452 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 6.6 t -59.51 115.8 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 C-N-CA 125.496 1.518 . . . . 0.0 108.613 -173.028 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 114.55 -23.73 11.88 Favored Glycine 0 CA--C 1.529 0.936 0 C-N-CA 125.372 1.463 . . . . 0.0 112.219 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 8.6 mp -74.58 137.86 42.63 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 118.747 1.274 . . . . 0.0 110.972 -172.304 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 43.2 mtp180 -77.17 128.86 35.15 Favored 'General case' 0 N--CA 1.463 0.205 0 N-CA-C 105.955 -1.868 . . . . 0.0 105.955 168.649 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 22.2 m -146.31 -175.41 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 C-N-CA 125.786 1.635 . . . . 0.0 107.463 -174.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 3.9 t -120.68 143.7 31.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 104.648 -2.353 . . . . 0.0 104.648 169.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -144.39 153.26 41.75 Favored 'General case' 0 CA--C 1.513 -0.453 0 O-C-N 121.189 -0.945 . . . . 0.0 108.803 -170.376 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 72.1 tttt -81.8 127.66 33.2 Favored 'General case' 0 CA--C 1.507 -0.673 0 N-CA-C 106.419 -1.697 . . . . 0.0 106.419 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 27.4 t-105 . . . . . 0 N--CA 1.45 -0.469 0 N-CA-C 106.792 -1.559 . . . . 0.0 106.792 169.601 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 13.3 m-30 . . . . . 0 C--O 1.234 0.271 0 CA-C-O 121.301 0.572 . . . . 0.0 110.816 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -85.85 108.43 18.13 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 173.31 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -99.46 150.96 21.65 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.796 1.238 . . . . 0.0 107.711 178.582 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 7.8 m -72.02 147.19 47.1 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.354 0.661 . . . . 0.0 110.273 177.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -171.82 -174.46 39.37 Favored Glycine 0 C--N 1.336 0.546 0 O-C-N 121.687 -0.633 . . . . 0.0 112.23 -176.113 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 41.1 mtmt -130.84 130.83 44.12 Favored 'General case' 0 CA--C 1.516 -0.341 0 C-N-CA 126.129 1.772 . . . . 0.0 106.947 -173.147 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 18.8 mt -73.34 130.62 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 66.3 p -104.8 -37.19 7.13 Favored 'General case' 0 CA--C 1.517 -0.289 0 C-N-CA 122.995 0.518 . . . . 0.0 111.036 -171.482 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -169.0 141.07 2.59 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 123.949 0.9 . . . . 0.0 111.431 177.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 8.1 t70 -68.26 102.82 1.45 Allowed 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.041 1.336 . . . . 0.0 107.887 168.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.5 t -64.66 -50.1 77.26 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 C-N-CA 123.619 0.768 . . . . 0.0 108.935 -177.455 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 146.62 163.89 10.69 Favored Glycine 0 C--N 1.338 0.667 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 58.87 8.79 1.02 Allowed 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 177.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 103.09 -7.37 52.22 Favored Glycine 0 CA--C 1.525 0.675 0 C-N-CA 124.716 1.151 . . . . 0.0 111.471 -173.572 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -74.66 137.69 42.36 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-N 120.576 2.188 . . . . 0.0 107.674 169.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -126.42 139.05 53.56 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 104.805 -2.294 . . . . 0.0 104.805 169.47 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -84.24 140.46 31.66 Favored 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 107.559 -1.274 . . . . 0.0 107.559 175.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1517 ' ' LEU . . . . . 0.482 HD21 HD13 ' A' 1532 ' ' ILE . 3.0 mm? -125.72 119.38 27.83 Favored 'General case' 0 CA--C 1.51 -0.587 0 N-CA-C 107.956 -1.128 . . . . 0.0 107.956 -169.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 42.8 tp -83.74 94.23 8.11 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 104.538 -2.393 . . . . 0.0 104.538 169.187 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -56.73 150.17 16.54 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 172.019 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -67.01 -16.84 64.62 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -170.326 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 24.6 p-10 -85.55 2.93 42.83 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.733 1.613 . . . . 0.0 112.721 172.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 101.57 -3.61 53.66 Favored Glycine 0 CA--C 1.53 1.0 0 C-N-CA 125.183 1.373 . . . . 0.0 114.217 169.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -79.68 155.41 28.05 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 118.347 1.074 . . . . 0.0 109.413 -176.152 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -141.44 117.47 10.57 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 -175.323 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 83.2 m -143.69 164.79 29.46 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.411 1.484 . . . . 0.0 108.058 175.034 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -83.45 142.08 31.22 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 123.87 0.868 . . . . 0.0 108.783 174.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 88.5 t -141.06 134.72 31.91 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.311 0 N-CA-C 107.113 -1.44 . . . . 0.0 107.113 178.46 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.5 mt -70.54 148.0 48.69 Favored 'General case' 0 C--O 1.22 -0.461 0 O-C-N 121.782 -0.574 . . . . 0.0 110.619 176.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -54.19 -33.85 52.51 Favored Glycine 0 C--N 1.335 0.51 0 C-N-CA 124.189 0.899 . . . . 0.0 112.992 176.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.76 -24.59 23.19 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.082 0.553 . . . . 0.0 112.142 173.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -113.97 22.31 14.04 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.21 1.804 . . . . 0.0 111.242 -170.593 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1532 ' ' ILE . . . . . 0.482 HD13 HD21 ' A' 1517 ' ' LEU . 1.7 mt -127.01 133.91 67.33 Favored 'Isoleucine or valine' 0 C--N 1.343 0.294 0 N-CA-C 106.693 -1.595 . . . . 0.0 106.693 177.031 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 58.7 mt -112.69 110.45 20.6 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 128.682 2.793 . . . . 0.0 104.69 -176.643 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1534 ' ' LEU . . . . . 0.578 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -108.0 -4.3 17.97 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 116.392 1.997 . . . . 0.0 116.392 -169.045 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 19.7 p -131.01 53.16 2.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 105.59 -2.004 . . . . 0.0 105.59 -177.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 53.7 t0 -118.55 62.78 5.22 Favored Pre-proline 0 C--O 1.237 0.406 0 N-CA-C 116.848 2.166 . . . . 0.0 116.848 -168.283 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -74.38 122.86 7.77 Favored 'Trans proline' 0 CA--C 1.55 1.282 1 N-CA-C 100.346 -4.521 . . . . 0.0 100.346 165.525 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1538 ' ' ILE . . . . . 0.413 HG21 HG11 ' A' 1544 ' ' VAL . 8.6 mm -60.42 122.86 70.54 Favored Pre-proline 0 CA--C 1.543 0.683 0 CA-C-N 119.863 1.211 . . . . 0.0 109.595 -168.115 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -62.55 143.76 93.38 Favored 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 121.942 1.761 . . . . 0.0 110.438 177.137 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 3.8 mp -58.1 148.9 25.04 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 170.298 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 4.9 t70 71.65 -2.14 2.56 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.848 2.059 . . . . 0.0 113.892 -175.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 25.7 m -69.48 135.96 50.85 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 169.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -82.14 136.77 35.1 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 171.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1544 ' ' VAL . . . . . 0.413 HG11 HG21 ' A' 1538 ' ' ILE . 1.6 m -146.55 162.36 9.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 C-N-CA 125.102 1.361 . . . . 0.0 109.094 -170.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 9.0 m -90.1 137.83 32.02 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 104.973 -2.232 . . . . 0.0 104.973 169.244 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -116.56 142.23 47.16 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 125.558 1.543 . . . . 0.0 107.881 177.45 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1547 ' ' LEU . . . . . 0.464 ' O ' ' HB1' ' A' 1585 ' ' ALA . 0.3 OUTLIER -139.26 128.57 24.11 Favored 'General case' 0 CA--C 1.511 -0.523 0 C-N-CA 124.166 0.986 . . . . 0.0 109.541 -169.339 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 52.7 m -68.4 169.42 10.75 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 106.774 -1.565 . . . . 0.0 106.774 167.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -71.58 12.73 0.32 Allowed 'General case' 0 CA--C 1.552 1.034 0 O-C-N 120.336 -1.477 . . . . 0.0 112.27 176.546 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 29.1 t0 -144.09 167.53 22.17 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 128.573 2.749 . . . . 0.0 105.747 169.56 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -52.48 8.44 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 121.06 3.726 . . . . 0.0 121.06 -168.481 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -67.89 120.4 14.12 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 106.726 -1.583 . . . . 0.0 106.726 169.377 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -136.08 132.31 35.96 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 124.721 1.208 . . . . 0.0 109.026 -169.58 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 7.2 p -151.88 178.47 9.37 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.325 1.45 . . . . 0.0 109.911 174.52 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -128.87 155.34 45.39 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 119.465 1.03 . . . . 0.0 110.532 170.405 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.92 -162.92 24.1 Favored Glycine 0 CA--C 1.53 0.988 0 C-N-CA 126.605 2.05 . . . . 0.0 108.707 -170.63 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.4 t -129.92 142.63 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 CA-C-N 119.235 1.517 . . . . 0.0 110.099 -172.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 82.1 t -65.08 127.3 25.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 171.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 68.1 mmtt -128.67 11.92 6.27 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 119.149 0.886 . . . . 0.0 111.634 170.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -178.62 179.71 48.66 Favored Glycine 0 CA--C 1.523 0.572 0 CA-C-N 118.798 0.726 . . . . 0.0 112.188 173.117 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 9.3 m80 -140.83 154.28 46.14 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 126.889 2.076 . . . . 0.0 110.86 -173.156 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 . . . . . 0 N--CA 1.462 0.128 0 C-N-CA 125.438 1.495 . . . . 0.0 107.48 170.279 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 38.0 tp . . . . . 0 N--CA 1.446 -0.671 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -124.48 155.58 38.69 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 125.171 1.388 . . . . 0.0 108.662 -174.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1570 ' ' TYR . . . . . 0.412 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 67.8 m-85 -138.81 127.35 23.19 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 106.013 -1.847 . . . . 0.0 106.013 -175.489 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.1 p -84.18 96.19 8.88 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 104.694 -2.335 . . . . 0.0 104.694 169.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 38.4 mm -78.05 134.51 28.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 105.951 -1.87 . . . . 0.0 105.951 177.039 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -93.88 120.01 33.57 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 105.116 -2.179 . . . . 0.0 105.116 169.031 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -145.23 135.89 24.4 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 105.175 -2.157 . . . . 0.0 105.175 -170.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 51.74 33.57 11.36 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.89 0.876 . . . . 0.0 111.963 -170.577 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 70.42 18.85 75.66 Favored Glycine 0 CA--C 1.532 1.106 0 O-C-N 121.581 -0.699 . . . . 0.0 113.82 175.198 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -142.27 158.01 44.19 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.764 1.225 . . . . 0.0 108.597 179.345 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 85.4 mtm-85 -101.04 142.33 32.66 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 118.814 0.734 . . . . 0.0 110.124 -169.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -146.25 132.52 19.5 Favored 'General case' 0 N--CA 1.461 0.076 0 N-CA-C 106.732 -1.581 . . . . 0.0 106.732 -169.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 89.4 m95 -80.79 130.84 35.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 118.738 0.699 . . . . 0.0 109.919 177.358 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -131.77 162.5 30.36 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 169.62 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -106.89 165.56 11.24 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.658 1.183 . . . . 0.0 110.119 -175.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 49.4 ttt180 -53.7 -42.22 67.78 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 120.657 1.572 . . . . 0.0 113.273 -174.629 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 1.4 ppp? -70.83 -21.27 62.47 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 121.005 1.73 . . . . 0.0 112.778 177.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1585 ' ' ALA . . . . . 0.464 ' HB1' ' O ' ' A' 1547 ' ' LEU . . . -88.64 -8.31 54.84 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 124.763 1.225 . . . . 0.0 111.619 176.034 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 82.2 t -116.39 93.03 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 N-CA-C 105.803 -1.925 . . . . 0.0 105.803 -177.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 10.0 pt -110.9 164.03 7.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 -172.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 5.0 mt -110.29 116.81 32.13 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 -176.029 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.73 148.24 10.26 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 169.755 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.5 pp -56.88 -33.64 67.07 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 -168.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -69.71 -36.02 75.55 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.339 -0.851 . . . . 0.0 109.754 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -67.29 -52.62 38.36 Favored 'General case' 0 C--N 1.34 0.187 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 176.397 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -63.27 -28.08 71.69 Favored Glycine 0 C--N 1.34 0.779 0 CA-C-O 119.409 -0.662 . . . . 0.0 111.943 -174.044 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -57.38 -43.27 83.46 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 118.882 1.341 . . . . 0.0 111.694 173.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 29.2 mtt85 -61.59 -17.33 54.69 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 178.401 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.0 mp -99.62 -27.25 13.77 Favored 'General case' 0 C--N 1.34 0.187 0 C-N-CA 124.394 1.078 . . . . 0.0 110.554 176.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 65.9 ttp85 -57.99 -38.31 75.87 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 119.404 1.002 . . . . 0.0 111.349 -177.005 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -58.26 -22.22 51.58 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 118.055 -0.974 . . . . 0.0 113.196 178.427 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -115.02 -48.16 2.84 Favored 'General case' 0 C--N 1.347 0.458 0 CA-C-N 120.09 1.314 . . . . 0.0 112.067 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.0 m-30 -91.59 -10.51 40.26 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 124.613 1.165 . . . . 0.0 112.072 -170.031 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -52.59 130.89 39.21 Favored Glycine 0 CA--C 1.527 0.84 0 C-N-CA 125.394 1.473 . . . . 0.0 110.648 175.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1602 ' ' LEU . . . . . 0.578 HD22 HD23 ' A' 1534 ' ' LEU . 0.8 OUTLIER . . . . . 0 C--O 1.233 0.202 0 CA-C-N 118.73 1.265 . . . . 0.0 109.087 174.48 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 94.4 m-85 . . . . . 0 N--CA 1.468 0.455 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 4.0 t -57.27 114.91 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 C-N-CA 125.154 1.382 . . . . 0.0 108.969 -175.612 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 114.04 -20.48 16.84 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 125.18 1.372 . . . . 0.0 112.486 178.637 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 9.4 mp -74.4 137.84 42.96 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 118.845 1.323 . . . . 0.0 110.376 -174.367 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 91.4 mtm-85 -76.52 126.8 31.62 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 106.457 -1.682 . . . . 0.0 106.457 168.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 17.1 m -146.67 -177.72 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 -173.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 7.6 t -117.89 151.64 19.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 105.25 -2.13 . . . . 0.0 105.25 169.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -150.39 152.78 34.87 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 121.188 -0.945 . . . . 0.0 109.35 -172.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 77.1 tttt -83.11 127.52 33.67 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 178.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 10.9 t-105 . . . . . 0 N--CA 1.448 -0.568 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 169.106 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 10.1 m-30 . . . . . 0 C--O 1.236 0.369 0 CA-C-O 121.624 0.726 . . . . 0.0 110.101 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 1.8 m-30 -99.0 110.55 23.15 Favored 'General case' 0 N--CA 1.443 -0.784 0 N-CA-C 105.659 -1.978 . . . . 0.0 105.659 -175.226 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -104.7 155.36 18.94 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.09 1.356 . . . . 0.0 108.063 -174.465 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 5.1 m -70.13 150.15 46.83 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.708 0.803 . . . . 0.0 110.598 176.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -168.7 -174.47 37.38 Favored Glycine 0 C--N 1.336 0.55 0 N-CA-C 111.343 -0.703 . . . . 0.0 111.343 173.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.36 142.75 51.32 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 171.485 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 16.4 mt -73.54 132.2 33.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 106.217 -1.772 . . . . 0.0 106.217 179.073 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 79.0 p -107.71 -36.88 6.3 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 117.99 0.359 . . . . 0.0 110.607 -169.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -165.92 142.02 5.07 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.947 0.899 . . . . 0.0 110.997 175.153 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 6.9 t70 -69.04 102.17 1.56 Allowed 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 125.571 1.549 . . . . 0.0 107.579 169.098 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.4 t -64.63 -49.81 78.65 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 -176.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 144.39 168.48 12.57 Favored Glycine 0 C--N 1.334 0.469 0 N-CA-C 109.587 -1.405 . . . . 0.0 109.587 173.36 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 60.76 4.83 0.82 Allowed 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 114.787 1.402 . . . . 0.0 114.787 178.614 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 109.16 -9.33 33.53 Favored Glycine 0 CA--C 1.526 0.73 0 C-N-CA 124.762 1.172 . . . . 0.0 111.109 -173.135 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -74.93 137.99 42.04 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 120.276 2.038 . . . . 0.0 108.336 170.021 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -128.98 136.68 50.67 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 104.784 -2.302 . . . . 0.0 104.784 169.582 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 29.6 ttpt -83.75 141.56 31.34 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 177.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.1 mm? -125.21 119.83 29.6 Favored 'General case' 0 CA--C 1.508 -0.646 0 C-N-CA 124.641 1.176 . . . . 0.0 108.336 -170.123 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 29.3 tp -83.66 94.96 8.22 Favored 'General case' 0 CA--C 1.51 -0.58 0 N-CA-C 104.185 -2.524 . . . . 0.0 104.185 169.242 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -58.17 142.92 45.88 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 171.526 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -62.25 -23.01 66.43 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 122.661 0.384 . . . . 0.0 111.231 178.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 29.8 t70 -61.79 -20.2 63.34 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.365 1.466 . . . . 0.0 112.72 173.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 116.65 -2.01 20.06 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 126.167 1.841 . . . . 0.0 112.966 170.524 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -92.28 159.82 15.43 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 124.871 1.268 . . . . 0.0 110.167 -171.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -139.65 117.11 11.37 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 -177.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 51.0 m -144.6 159.24 43.12 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 124.721 1.208 . . . . 0.0 108.45 177.678 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -73.76 143.92 45.86 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 171.559 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 98.8 t -139.92 141.03 34.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 N-CA-C 106.494 -1.669 . . . . 0.0 106.494 171.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 5.4 mt -77.65 149.81 34.65 Favored 'General case' 0 CA--C 1.51 -0.596 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.811 177.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -52.45 -40.29 53.91 Favored Glycine 0 C--N 1.335 0.508 0 C-N-CA 124.814 1.197 . . . . 0.0 112.686 -176.269 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.67 -31.01 64.01 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 117.801 0.8 . . . . 0.0 112.001 177.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -100.45 23.82 9.74 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.525 1.53 . . . . 0.0 112.841 -172.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -126.5 131.05 71.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 104.809 -2.293 . . . . 0.0 104.809 177.461 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 52.3 mt -112.95 110.76 21.05 Favored 'General case' 0 CA--C 1.522 -0.116 0 N-CA-C 104.696 -2.335 . . . . 0.0 104.696 -174.413 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1534 ' ' LEU . . . . . 0.561 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -106.71 -3.18 20.82 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -168.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 23.3 p -131.83 53.33 2.0 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 105.818 -1.919 . . . . 0.0 105.818 -177.458 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 50.9 t0 -118.45 57.58 3.04 Favored Pre-proline 0 CA--C 1.542 0.649 0 N-CA-C 117.032 2.234 . . . . 0.0 117.032 -168.278 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -70.34 121.97 8.51 Favored 'Trans proline' 0 CA--C 1.544 0.98 1 N-CA-C 99.939 -4.677 . . . . 0.0 99.939 165.555 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1538 ' ' ILE . . . . . 0.545 HG21 HG11 ' A' 1544 ' ' VAL . 5.1 mm -59.34 121.26 55.05 Favored Pre-proline 0 N--CA 1.468 0.429 0 CA-C-N 119.523 1.056 . . . . 0.0 109.031 -168.041 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -61.84 144.78 97.13 Favored 'Trans proline' 0 N--CA 1.452 -0.953 0 C-N-CA 121.948 1.766 . . . . 0.0 110.592 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1540 ' ' LEU . . . . . 0.481 ' H ' HD12 ' A' 1540 ' ' LEU . 4.0 mp -59.89 147.84 37.04 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 169.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 23.2 t70 74.2 -4.6 2.26 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 127.002 2.121 . . . . 0.0 113.551 -175.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 20.2 m -68.23 135.07 51.42 Favored 'General case' 0 C--O 1.239 0.526 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 169.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -83.14 135.48 34.79 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 171.332 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1544 ' ' VAL . . . . . 0.545 HG11 HG21 ' A' 1538 ' ' ILE . 2.4 m -147.67 163.59 6.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 C-N-CA 124.506 1.122 . . . . 0.0 109.207 -171.223 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 7.8 m -87.84 139.94 30.01 Favored 'General case' 0 N--CA 1.442 -0.847 0 N-CA-C 105.406 -2.072 . . . . 0.0 105.406 169.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -108.05 136.79 47.15 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 106.486 -1.672 . . . . 0.0 106.486 171.464 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -137.45 100.36 4.21 Favored 'General case' 0 CA--C 1.516 -0.346 0 C-N-CA 123.455 0.702 . . . . 0.0 109.824 -169.479 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 13.5 m -61.18 121.95 13.82 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 104.248 -2.501 . . . . 0.0 104.248 168.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -44.68 -30.2 0.89 Allowed 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 126.09 1.756 . . . . 0.0 115.546 -168.27 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 28.4 t70 -68.63 -48.13 64.87 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 118.592 0.633 . . . . 0.0 111.569 -179.586 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -179.92 -25.82 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 173.59 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -54.93 121.26 8.27 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 119.168 0.894 . . . . 0.0 111.426 -168.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 10.6 t80 -116.25 129.34 56.23 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 124.828 1.251 . . . . 0.0 110.956 -168.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 2.8 p -151.97 177.62 10.27 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.191 1.396 . . . . 0.0 109.747 170.151 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -135.76 157.03 47.87 Favored 'General case' 0 N--CA 1.466 0.347 0 O-C-N 120.838 -1.164 . . . . 0.0 111.048 172.655 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.65 -160.95 20.38 Favored Glycine 0 CA--C 1.528 0.885 0 C-N-CA 126.628 2.061 . . . . 0.0 108.773 -171.129 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.9 t -130.12 142.04 44.81 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-N 118.633 1.217 . . . . 0.0 109.591 -173.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 90.4 t -65.85 126.12 24.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 171.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 82.3 mttt -130.44 18.87 5.29 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.458 1.026 . . . . 0.0 111.628 169.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 178.39 179.38 48.29 Favored Glycine 0 C--N 1.337 0.628 0 O-C-N 121.774 -0.579 . . . . 0.0 111.978 171.162 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 9.9 m80 -142.84 155.96 44.87 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 126.181 1.792 . . . . 0.0 110.992 -171.411 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 50.3 ttt180 . . . . . 0 N--CA 1.462 0.127 0 C-N-CA 125.309 1.444 . . . . 0.0 107.41 170.676 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 44.7 tp . . . . . 0 N--CA 1.45 -0.429 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -127.69 158.07 38.59 Favored 'General case' 0 CA--C 1.516 -0.362 0 C-N-CA 125.247 1.419 . . . . 0.0 109.587 -173.464 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1570 ' ' TYR . . . . . 0.441 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 40.0 m-85 -141.78 129.09 21.12 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 106.63 -1.618 . . . . 0.0 106.63 -172.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.2 p -86.6 98.27 11.0 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 104.921 -2.252 . . . . 0.0 104.921 169.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 41.6 mm -79.98 127.99 38.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 N-CA-C 106.46 -1.681 . . . . 0.0 106.46 178.5 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -84.85 125.13 32.35 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 104.055 -2.572 . . . . 0.0 104.055 168.229 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 30.8 ttpt -144.74 135.07 24.3 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 105.015 -2.217 . . . . 0.0 105.015 -173.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 53.7 27.26 6.68 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.528 0.731 . . . . 0.0 112.467 -175.026 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 76.26 17.77 79.75 Favored Glycine 0 CA--C 1.532 1.108 0 O-C-N 121.603 -0.685 . . . . 0.0 113.42 176.489 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -140.71 162.23 35.89 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 124.755 1.222 . . . . 0.0 108.339 176.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -101.78 143.57 31.53 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 119.363 0.983 . . . . 0.0 109.917 -170.246 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -144.45 131.7 20.69 Favored 'General case' 0 C--N 1.334 -0.069 0 N-CA-C 106.244 -1.762 . . . . 0.0 106.244 -173.095 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 90.6 m95 -80.8 130.56 35.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 118.81 0.732 . . . . 0.0 109.91 176.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -133.1 159.5 39.92 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.743 1.217 . . . . 0.0 107.905 169.396 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 17.0 ptmt -101.36 164.41 11.79 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.647 1.179 . . . . 0.0 109.859 -176.27 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 61.3 ttp85 -42.3 -55.46 3.34 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.651 1.18 . . . . 0.0 113.632 179.019 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -71.1 -12.13 61.33 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 121.095 1.771 . . . . 0.0 114.374 -178.4 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -90.25 -16.29 29.65 Favored 'General case' 0 C--O 1.223 -0.292 0 C-N-CA 124.567 1.147 . . . . 0.0 110.757 171.112 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 62.0 t -109.15 91.04 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.656 0 N-CA-C 104.658 -2.349 . . . . 0.0 104.658 -176.254 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 6.5 pt -118.06 156.49 19.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 114.484 -1.235 . . . . 0.0 107.757 -169.235 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 3.4 mt -105.57 118.19 35.94 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 -170.39 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.33 145.61 21.6 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 106.33 -1.73 . . . . 0.0 106.33 169.533 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.7 pp -54.33 -35.39 62.64 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.568 1.076 . . . . 0.0 113.352 -169.158 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 30.3 tp10 -67.73 -39.23 84.28 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 121.682 -0.636 . . . . 0.0 110.183 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -63.19 -51.98 64.13 Favored 'General case' 0 C--O 1.225 -0.236 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 174.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -59.39 -33.43 76.03 Favored Glycine 0 C--N 1.338 0.675 0 C-N-CA 124.185 0.898 . . . . 0.0 112.243 -175.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -57.72 -45.52 85.65 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 118.436 1.118 . . . . 0.0 111.196 176.466 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 18.7 mtt-85 -62.36 -19.39 63.32 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.065 0.546 . . . . 0.0 112.324 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.1 mp -94.26 -29.66 14.95 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.04 0.936 . . . . 0.0 110.398 173.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -56.4 -38.77 71.96 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.713 1.205 . . . . 0.0 112.049 -175.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -59.23 -21.18 59.15 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 118.189 -0.91 . . . . 0.0 113.382 177.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -114.36 -48.03 2.9 Favored 'General case' 0 C--N 1.347 0.491 0 CA-C-N 119.987 1.267 . . . . 0.0 112.046 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 9.1 m-30 -90.78 -11.07 40.58 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 124.421 1.088 . . . . 0.0 112.358 -170.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -53.57 131.51 43.13 Favored Glycine 0 CA--C 1.529 0.933 0 C-N-CA 125.396 1.474 . . . . 0.0 110.378 176.619 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1602 ' ' LEU . . . . . 0.561 HD22 HD23 ' A' 1534 ' ' LEU . 1.0 OUTLIER . . . . . 0 C--O 1.235 0.341 0 CA-C-N 118.187 0.993 . . . . 0.0 109.679 174.428 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 95.0 m-85 . . . . . 0 N--CA 1.467 0.416 0 N-CA-C 114.074 1.139 . . . . 0.0 114.074 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 6.4 t -57.04 114.51 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.556 0 C-N-CA 125.679 1.592 . . . . 0.0 108.806 -176.227 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 115.18 -22.5 12.2 Favored Glycine 0 CA--C 1.531 1.092 0 C-N-CA 125.127 1.346 . . . . 0.0 112.826 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 9.1 mp -74.23 140.48 45.08 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.749 1.274 . . . . 0.0 111.022 -174.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 54.4 mtp180 -81.65 126.71 32.09 Favored 'General case' 0 C--O 1.23 0.048 0 N-CA-C 105.801 -1.926 . . . . 0.0 105.801 168.647 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 15.9 m -143.77 -175.18 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 C-N-CA 125.139 1.376 . . . . 0.0 107.96 -173.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.7 t -121.41 145.75 27.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 105.661 -1.977 . . . . 0.0 105.661 170.316 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -147.4 152.42 38.13 Favored 'General case' 0 CA--C 1.519 -0.247 0 C-N-CA 124.18 0.992 . . . . 0.0 109.692 -169.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 78.0 tttt -83.81 130.38 34.93 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 107.618 -1.252 . . . . 0.0 107.618 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 20.8 t-105 . . . . . 0 CA--C 1.539 0.525 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 169.633 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 10.1 m-30 . . . . . 0 N--CA 1.452 -0.354 0 CA-C-O 121.926 0.869 . . . . 0.0 109.923 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -94.49 107.98 19.94 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 105.225 -2.139 . . . . 0.0 105.225 -177.487 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -97.65 149.23 22.49 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -176.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 4.3 m -69.85 148.55 48.93 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.441 0.696 . . . . 0.0 109.772 175.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -173.16 -174.64 40.38 Favored Glycine 0 C--N 1.334 0.441 0 O-C-N 121.477 -0.764 . . . . 0.0 112.165 -177.08 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -129.92 129.22 43.59 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 125.919 1.687 . . . . 0.0 107.085 -172.542 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 23.3 mt -73.21 130.81 35.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 106.795 -1.558 . . . . 0.0 106.795 179.398 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 58.6 p -107.43 -35.78 6.67 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 123.231 0.613 . . . . 0.0 110.727 -170.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -167.81 141.47 3.41 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.744 0.818 . . . . 0.0 111.298 175.79 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 6.8 t0 -68.93 102.94 1.69 Allowed 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 124.994 1.318 . . . . 0.0 107.712 168.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.6 t -65.59 -50.84 69.24 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 -175.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 149.5 163.19 10.87 Favored Glycine 0 C--N 1.34 0.764 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 178.098 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.74 10.7 0.77 Allowed 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 115.205 1.558 . . . . 0.0 115.205 177.092 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 104.06 -5.92 46.6 Favored Glycine 0 C--N 1.337 0.621 0 C-N-CA 124.831 1.205 . . . . 0.0 111.53 -176.318 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 10.8 mtpp -74.94 135.31 41.41 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 120.36 2.08 . . . . 0.0 106.816 170.003 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -126.24 136.85 53.3 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 105.09 -2.189 . . . . 0.0 105.09 169.744 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -83.04 137.93 33.93 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 177.178 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.2 mm? -124.51 118.41 26.53 Favored 'General case' 0 CA--C 1.511 -0.543 0 C-N-CA 125.167 1.387 . . . . 0.0 108.387 -169.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 31.2 tp -83.79 93.45 7.97 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 104.353 -2.462 . . . . 0.0 104.353 168.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -56.14 146.91 21.72 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 172.303 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -66.86 -20.75 65.98 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.624 -171.18 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 36.3 p-10 -78.84 2.74 18.97 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.806 1.243 . . . . 0.0 113.29 171.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 105.34 -5.99 41.88 Favored Glycine 0 CA--C 1.532 1.108 0 C-N-CA 125.442 1.496 . . . . 0.0 114.992 169.083 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -85.11 157.06 20.79 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 118.326 1.063 . . . . 0.0 110.215 -172.493 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -139.07 117.66 12.17 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 -174.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 62.1 m -143.6 161.38 38.66 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 125.16 1.384 . . . . 0.0 108.141 176.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -85.0 142.24 29.75 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 171.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 80.4 t -142.19 137.7 29.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 N-CA-C 107.486 -1.301 . . . . 0.0 107.486 -178.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.7 mt -74.25 152.66 39.66 Favored 'General case' 0 C--O 1.22 -0.471 0 C-N-CA 123.16 0.584 . . . . 0.0 111.954 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -57.73 -38.07 86.54 Favored Glycine 0 C--N 1.335 0.501 0 C-N-CA 124.317 0.96 . . . . 0.0 112.629 -176.657 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -20.12 58.48 Favored 'General case' 0 C--O 1.223 -0.332 0 O-C-N 121.884 -0.774 . . . . 0.0 112.451 175.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -104.9 21.5 16.9 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.411 1.484 . . . . 0.0 111.892 -175.322 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -132.59 137.24 54.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 N-CA-C 106.308 -1.738 . . . . 0.0 106.308 -179.187 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 54.9 mt -117.2 114.99 24.45 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 127.313 2.245 . . . . 0.0 105.154 -176.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1534 ' ' LEU . . . . . 0.555 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -110.55 -4.64 15.38 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 116.475 2.028 . . . . 0.0 116.475 -169.101 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 24.5 p -131.57 52.18 2.09 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 106.185 -1.783 . . . . 0.0 106.185 -177.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 52.6 t0 -115.78 65.01 2.42 Favored Pre-proline 0 CA--C 1.537 0.45 0 N-CA-C 116.609 2.077 . . . . 0.0 116.609 -168.35 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -72.46 119.19 5.97 Favored 'Trans proline' 0 CA--C 1.547 1.146 1 N-CA-C 101.015 -4.263 . . . . 0.0 101.015 166.02 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1538 ' ' ILE . . . . . 0.478 HG21 HG11 ' A' 1544 ' ' VAL . 9.9 mm -58.62 120.15 42.78 Favored Pre-proline 0 CA--C 1.538 0.491 0 CA-C-O 118.211 -0.899 . . . . 0.0 108.898 -168.615 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -61.9 144.09 96.25 Favored 'Trans proline' 0 N--CA 1.451 -1.006 0 C-N-CA 121.892 1.728 . . . . 0.0 110.393 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1540 ' ' LEU . . . . . 0.411 ' H ' HD12 ' A' 1540 ' ' LEU . 4.0 mp -59.65 148.15 34.82 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 169.793 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 18.5 t70 74.14 -3.6 2.49 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.723 2.009 . . . . 0.0 113.686 -175.485 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 20.5 m -70.79 134.61 47.54 Favored 'General case' 0 C--O 1.239 0.501 0 O-C-N 120.931 -1.106 . . . . 0.0 108.191 170.224 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -77.15 136.23 38.59 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 169.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1544 ' ' VAL . . . . . 0.478 HG11 HG21 ' A' 1538 ' ' ILE . 1.6 m -147.79 163.65 6.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 124.551 1.141 . . . . 0.0 109.799 -175.796 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 8.7 m -88.69 143.88 26.64 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 105.984 -1.858 . . . . 0.0 105.984 169.496 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -119.08 140.67 49.7 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 125.609 1.563 . . . . 0.0 107.317 175.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -139.0 117.12 11.76 Favored 'General case' 0 CA--C 1.517 -0.326 0 C-N-CA 123.786 0.834 . . . . 0.0 110.098 -169.524 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 20.1 m -65.19 150.92 47.35 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 168.414 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -67.92 15.32 0.05 OUTLIER 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 126.316 1.847 . . . . 0.0 114.798 -169.587 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 36.0 t70 -123.49 -57.47 1.66 Allowed 'General case' 0 CA--C 1.532 0.277 0 O-C-N 121.114 -0.991 . . . . 0.0 111.094 178.411 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -167.17 -21.51 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 114.968 1.47 . . . . 0.0 114.968 169.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -55.84 122.71 12.12 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 118.755 0.707 . . . . 0.0 110.058 -170.005 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 1.4 t80 -121.14 131.98 54.58 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 125.334 1.454 . . . . 0.0 109.964 -168.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 2.2 p -152.09 177.89 10.03 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.692 1.597 . . . . 0.0 109.026 173.084 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -134.95 157.15 47.65 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 120.941 -1.099 . . . . 0.0 111.054 173.383 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.09 -160.11 17.61 Favored Glycine 0 CA--C 1.528 0.886 0 C-N-CA 126.686 2.088 . . . . 0.0 108.925 -172.362 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.9 t -130.95 143.58 40.42 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-N 118.481 1.14 . . . . 0.0 109.802 -174.158 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 58.0 t -66.3 127.01 26.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 174.268 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -132.71 20.43 4.23 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 119.132 0.878 . . . . 0.0 111.79 173.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 172.98 179.58 43.76 Favored Glycine 0 C--N 1.332 0.339 0 N-CA-C 111.044 -0.823 . . . . 0.0 111.044 169.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 9.8 m80 -141.55 155.09 45.8 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 126.262 1.825 . . . . 0.0 111.147 -174.471 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 46.0 ttt180 . . . . . 0 N--CA 1.46 0.072 0 C-N-CA 125.7 1.6 . . . . 0.0 107.167 171.761 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 36.6 tp . . . . . 0 N--CA 1.448 -0.533 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -127.76 157.42 40.42 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 125.327 1.451 . . . . 0.0 109.386 -173.15 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -142.57 125.69 16.36 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 105.203 -2.147 . . . . 0.0 105.203 -170.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.1 p -85.88 92.18 8.57 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 105.459 -2.052 . . . . 0.0 105.459 170.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 43.0 mm -74.57 129.14 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -82.85 122.21 27.94 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 103.715 -2.698 . . . . 0.0 103.715 168.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -144.28 137.67 27.4 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 104.864 -2.273 . . . . 0.0 104.864 -176.549 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 54.18 27.51 7.86 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.556 0.742 . . . . 0.0 112.305 -174.555 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 81.67 12.24 81.87 Favored Glycine 0 CA--C 1.532 1.122 0 CA-C-O 119.017 -0.88 . . . . 0.0 113.607 175.059 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -143.35 154.58 43.89 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 118.563 1.181 . . . . 0.0 109.485 -178.006 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 77.5 mtm180 -84.63 145.17 28.14 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 121.096 -1.002 . . . . 0.0 110.214 -176.115 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.4 tmtm? -143.57 131.15 21.18 Favored 'General case' 0 C--O 1.227 -0.114 0 C-N-CA 126.441 1.896 . . . . 0.0 106.0 -176.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 90.3 m95 -80.57 131.23 35.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 119.008 0.822 . . . . 0.0 109.936 178.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -133.41 162.88 30.65 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.472 1.509 . . . . 0.0 107.451 169.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -110.05 167.65 10.02 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.781 1.232 . . . . 0.0 110.695 -174.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 21.1 ttp180 -51.69 -45.82 63.64 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 120.796 -1.19 . . . . 0.0 114.076 -174.033 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 2.0 ppp? -72.02 -19.21 61.89 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 120.633 1.56 . . . . 0.0 113.008 177.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -85.49 -13.25 49.68 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 118.145 -0.931 . . . . 0.0 111.2 175.662 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 67.2 t -113.29 92.07 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 N-CA-C 105.948 -1.871 . . . . 0.0 105.948 -175.013 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 12.7 pt -109.93 161.71 8.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 -174.524 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 4.6 mt -108.32 123.63 49.11 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 -171.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.25 137.52 58.11 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 106.014 -1.847 . . . . 0.0 106.014 168.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 3.1 pp -54.56 -36.14 64.02 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -169.365 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -62.28 -39.6 93.49 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.617 -0.677 . . . . 0.0 109.801 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 42.9 mm-40 -75.98 -45.64 33.74 Favored 'General case' 0 C--O 1.222 -0.353 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 -178.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -60.33 -29.68 69.49 Favored Glycine 0 CA--C 1.524 0.634 0 C-N-CA 123.724 0.678 . . . . 0.0 111.864 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -58.15 -39.93 80.09 Favored 'General case' 0 N--CA 1.464 0.243 0 O-C-N 121.373 -1.075 . . . . 0.0 112.275 173.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -59.97 -21.81 61.71 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 119.029 0.832 . . . . 0.0 111.725 177.614 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 7.5 mp -96.25 -26.89 15.25 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 124.568 1.147 . . . . 0.0 110.738 178.092 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 65.2 ttp85 -56.28 -39.31 72.46 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 119.799 1.181 . . . . 0.0 111.718 -177.665 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -59.29 -20.32 53.42 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 178.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -114.58 -48.87 2.84 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-N 119.893 1.224 . . . . 0.0 111.893 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.1 m-30 -91.49 -9.56 44.01 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.66 1.184 . . . . 0.0 112.34 -169.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -54.44 131.39 46.12 Favored Glycine 0 CA--C 1.527 0.818 0 C-N-CA 125.402 1.477 . . . . 0.0 111.018 177.525 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1602 ' ' LEU . . . . . 0.555 HD22 HD23 ' A' 1534 ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.467 0.405 0 CA-C-N 118.53 1.165 . . . . 0.0 109.784 174.543 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 91.4 m-85 . . . . . 0 N--CA 1.469 0.49 0 N-CA-C 113.977 1.103 . . . . 0.0 113.977 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 6.7 t -58.36 115.85 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 C-N-CA 125.382 1.473 . . . . 0.0 108.602 -174.164 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 111.76 -19.87 23.02 Favored Glycine 0 CA--C 1.532 1.11 0 C-N-CA 125.279 1.418 . . . . 0.0 112.807 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 9.7 mp -75.6 137.68 40.94 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 118.932 1.366 . . . . 0.0 110.465 -172.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 54.2 mtm180 -77.25 126.86 31.62 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 106.318 -1.734 . . . . 0.0 106.318 168.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 19.7 m -147.49 -175.81 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 125.627 1.571 . . . . 0.0 107.674 -172.238 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 3.5 t -122.13 144.22 32.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 106.044 -1.835 . . . . 0.0 106.044 171.068 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -146.79 152.88 39.48 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 124.46 1.104 . . . . 0.0 109.033 -169.7 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 77.7 tttt -83.83 129.74 34.93 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 179.502 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 23.2 t-105 . . . . . 0 CA--C 1.537 0.45 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 169.559 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 9.7 m-30 . . . . . 0 C--O 1.236 0.392 0 CA-C-O 121.55 0.69 . . . . 0.0 109.489 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 2.2 m-30 -94.16 108.21 20.09 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 105.533 -2.025 . . . . 0.0 105.533 -174.641 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -98.66 155.5 17.29 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.51 1.124 . . . . 0.0 108.311 -176.644 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 14.8 m -78.89 148.7 32.65 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.975 -0.453 . . . . 0.0 110.323 178.025 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -170.97 -179.5 42.2 Favored Glycine 0 CA--C 1.522 0.499 0 O-C-N 122.012 -0.43 . . . . 0.0 112.16 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.57 137.23 52.14 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 106.554 -1.647 . . . . 0.0 106.554 178.005 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 15.1 mt -72.02 135.7 27.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 106.428 -1.693 . . . . 0.0 106.428 173.27 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 60.7 p -111.24 -37.7 5.23 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 123.061 0.544 . . . . 0.0 110.877 -170.283 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -165.12 142.0 5.81 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.715 0.806 . . . . 0.0 111.058 174.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 7.3 t70 -69.31 102.27 1.69 Allowed 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.943 1.297 . . . . 0.0 108.086 169.341 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -65.35 -49.67 77.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 -175.585 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 145.96 164.94 11.15 Favored Glycine 0 C--N 1.34 0.803 0 N-CA-C 109.894 -1.282 . . . . 0.0 109.894 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 59.24 7.22 0.85 Allowed 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 114.951 1.463 . . . . 0.0 114.951 178.049 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 105.65 -7.53 42.46 Favored Glycine 0 C--O 1.22 -0.726 0 C-N-CA 124.487 1.041 . . . . 0.0 111.443 -173.596 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -75.45 137.44 40.96 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 120.099 1.949 . . . . 0.0 107.65 169.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -127.66 139.63 52.6 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 104.614 -2.365 . . . . 0.0 104.614 169.334 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 12.7 ttpp -86.2 141.54 29.25 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 178.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1517 ' ' LEU . . . . . 0.427 HD21 HD13 ' A' 1532 ' ' ILE . 3.2 mm? -125.06 118.98 27.38 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -169.757 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 38.1 tp -82.37 92.67 7.04 Favored 'General case' 0 CA--C 1.511 -0.528 0 N-CA-C 103.868 -2.641 . . . . 0.0 103.868 169.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -56.95 146.11 27.92 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 170.295 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -65.05 -19.33 65.94 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -169.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 36.6 p-10 -79.24 -0.75 33.42 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.145 1.378 . . . . 0.0 113.283 173.113 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 108.75 -5.82 32.9 Favored Glycine 0 CA--C 1.532 1.107 0 C-N-CA 125.497 1.522 . . . . 0.0 114.298 169.2 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -80.2 155.38 27.41 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 118.114 0.957 . . . . 0.0 110.362 -174.431 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -139.7 122.26 16.25 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 124.599 1.16 . . . . 0.0 109.13 176.643 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 99.9 m -141.09 162.93 34.32 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 125.595 1.558 . . . . 0.0 107.614 170.01 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -74.52 142.66 44.77 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 170.34 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 96.4 t -139.38 135.95 40.84 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.237 0 N-CA-C 106.902 -1.518 . . . . 0.0 106.902 172.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 7.7 mt -72.81 149.78 43.32 Favored 'General case' 0 C--O 1.218 -0.554 0 C-N-CA 123.381 0.672 . . . . 0.0 111.284 178.2 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -57.99 -34.04 70.97 Favored Glycine 0 CA--C 1.522 0.52 0 CA-C-O 119.434 -0.648 . . . . 0.0 113.621 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1530 ' ' LYS . . . . . . . . . . . . 0.25 0.0 OUTLIER -71.39 8.43 1.05 Allowed 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 118.66 1.23 . . . . 0.0 112.919 172.477 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -129.76 22.85 5.4 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.209 1.803 . . . . 0.0 111.792 175.056 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1532 ' ' ILE . . . . . 0.427 HD13 HD21 ' A' 1517 ' ' LEU . 1.9 mt -132.06 140.72 47.25 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 O-C-N 120.625 -1.297 . . . . 0.0 107.881 176.774 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 73.5 mt -119.96 117.71 28.77 Favored 'General case' 0 C--O 1.227 -0.087 0 C-N-CA 127.783 2.433 . . . . 0.0 104.562 -178.133 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1534 ' ' LEU . . . . . 0.503 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -113.15 -4.16 13.83 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 116.712 2.116 . . . . 0.0 116.712 -169.289 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 24.8 p -131.62 51.83 2.11 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 105.72 -1.956 . . . . 0.0 105.72 -178.059 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 50.2 t0 -117.82 59.87 3.23 Favored Pre-proline 0 CA--C 1.538 0.486 0 N-CA-C 116.326 1.973 . . . . 0.0 116.326 -168.25 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -70.8 120.82 7.36 Favored 'Trans proline' 0 CA--C 1.543 0.973 1 N-CA-C 100.198 -4.578 . . . . 0.0 100.198 165.656 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 11.5 mm -59.14 123.41 69.42 Favored Pre-proline 0 CA--C 1.537 0.471 0 CA-C-N 119.065 0.848 . . . . 0.0 109.24 -168.182 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -60.4 143.87 99.49 Favored 'Trans proline' 0 N--CA 1.449 -1.099 0 C-N-CA 121.939 1.76 . . . . 0.0 110.311 177.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1540 ' ' LEU . . . . . 0.505 ' H ' HD12 ' A' 1540 ' ' LEU . 4.1 mp -59.44 147.82 35.09 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 169.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 23.0 t70 75.96 -5.93 2.08 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 127.343 2.257 . . . . 0.0 113.5 -175.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 19.0 m -68.93 135.8 51.57 Favored 'General case' 0 C--N 1.343 0.318 0 O-C-N 120.835 -1.166 . . . . 0.0 108.243 170.066 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -78.5 138.44 38.43 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 170.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 1.8 m -146.46 160.65 10.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 C-N-CA 124.546 1.138 . . . . 0.0 109.572 -175.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 8.8 m -90.23 132.35 35.55 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 105.563 -2.014 . . . . 0.0 105.563 169.431 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -100.68 146.26 27.41 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 169.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 3.9 mt -138.45 102.92 4.75 Favored 'General case' 0 CA--C 1.511 -0.539 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 -179.157 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 1.3 m -61.66 139.19 58.32 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 105.18 -2.156 . . . . 0.0 105.18 168.693 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -49.7 14.72 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.851 1 C-N-CA 132.118 4.167 . . . . 0.0 119.728 -168.653 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 26.9 t70 -119.93 -70.79 0.77 Allowed 'General case' 0 C--O 1.233 0.23 0 CA-C-N 119.741 1.155 . . . . 0.0 109.285 171.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -162.57 25.55 0.1 Allowed 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 119.205 0.911 . . . . 0.0 113.125 170.354 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -84.16 73.42 10.42 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 120.743 -1.223 . . . . 0.0 109.783 -174.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 18.4 t80 -60.38 128.89 38.92 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 125.723 1.609 . . . . 0.0 110.328 171.403 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 2.9 p -152.66 177.63 10.47 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.323 1.849 . . . . 0.0 108.121 169.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -139.84 157.36 45.84 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 120.684 1.584 . . . . 0.0 111.699 173.551 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -172.84 -160.15 20.86 Favored Glycine 0 CA--C 1.525 0.705 0 C-N-CA 126.402 1.953 . . . . 0.0 108.82 -172.345 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.0 t -131.1 142.64 43.02 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.378 0 CA-C-N 118.612 1.206 . . . . 0.0 109.085 -173.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 79.3 t -64.69 125.81 22.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 172.235 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 83.0 mttt -130.56 19.66 5.19 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 119.304 0.956 . . . . 0.0 111.72 170.072 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 177.11 179.59 47.54 Favored Glycine 0 CA--C 1.525 0.702 0 O-C-N 121.778 -0.576 . . . . 0.0 111.956 170.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 8.5 m80 -142.67 153.56 43.52 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 126.295 1.838 . . . . 0.0 111.221 -171.109 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 . . . . . 0 N--CA 1.463 0.222 0 C-N-CA 125.617 1.567 . . . . 0.0 107.347 170.057 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 33.9 tp . . . . . 0 N--CA 1.447 -0.589 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -129.97 158.22 40.17 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 125.657 1.583 . . . . 0.0 108.745 -176.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -141.15 130.21 23.31 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 -173.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.55 95.55 10.08 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 104.955 -2.239 . . . . 0.0 104.955 169.505 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 38.2 mm -78.32 128.05 38.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 N-CA-C 106.405 -1.702 . . . . 0.0 106.405 178.597 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -84.45 119.8 25.56 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 103.656 -2.72 . . . . 0.0 103.656 168.159 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 23.9 ttpt -142.2 132.75 25.28 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 105.027 -2.212 . . . . 0.0 105.027 -170.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 51.94 28.05 4.86 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.543 0.737 . . . . 0.0 112.719 -174.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 78.43 18.91 75.11 Favored Glycine 0 CA--C 1.531 1.051 0 CA-C-O 119.263 -0.743 . . . . 0.0 113.116 176.422 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -135.69 147.68 48.6 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 118.461 1.13 . . . . 0.0 108.745 175.234 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -82.75 138.35 34.07 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 176.057 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -142.46 130.71 22.14 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 106.173 -1.788 . . . . 0.0 106.173 -173.568 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 87.7 m95 -80.41 129.34 34.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 118.507 0.594 . . . . 0.0 109.444 178.259 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -131.51 161.55 32.32 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.986 1.314 . . . . 0.0 107.972 169.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -104.8 166.69 10.22 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.892 1.277 . . . . 0.0 110.097 -176.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 19.1 ttp180 -50.64 -44.67 57.51 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 -177.2 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 2.2 ppp? -74.38 -18.15 60.71 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 121.735 2.061 . . . . 0.0 113.173 177.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -86.49 -8.3 57.69 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 118.311 -0.852 . . . . 0.0 111.174 174.462 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 92.2 t -119.57 97.21 4.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 -177.409 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 9.6 pt -113.91 164.41 10.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 -173.519 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 10.1 mt -110.41 124.82 52.44 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 -175.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.44 143.58 39.81 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 169.303 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 3.3 pp -56.88 -34.08 67.51 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.288 0.949 . . . . 0.0 112.3 -169.656 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -67.07 -36.17 81.42 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.944 -0.472 . . . . 0.0 110.424 179.228 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -69.27 -50.08 50.15 Favored 'General case' 0 C--O 1.225 -0.229 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 175.53 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -56.68 -32.99 62.17 Favored Glycine 0 C--N 1.337 0.625 0 C-N-CA 123.725 0.679 . . . . 0.0 112.503 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -59.37 -43.49 92.87 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 118.235 1.017 . . . . 0.0 111.53 175.657 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 -64.91 -12.18 46.31 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.766 0.827 . . . . 0.0 111.702 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 9.1 mp -103.94 -23.41 13.36 Favored 'General case' 0 C--N 1.343 0.295 0 C-N-CA 124.881 1.272 . . . . 0.0 111.329 176.211 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 51.2 mtm180 -55.95 -38.63 70.61 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 121.24 1.836 . . . . 0.0 111.067 178.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -57.87 -22.32 47.57 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-O 118.057 -0.973 . . . . 0.0 113.334 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -116.74 -47.68 2.7 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-N 120.013 1.279 . . . . 0.0 112.468 176.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.0 m-30 -93.38 -7.72 43.87 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 124.057 0.943 . . . . 0.0 112.17 -169.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -57.93 131.27 51.97 Favored Glycine 0 CA--C 1.523 0.591 0 C-N-CA 124.938 1.256 . . . . 0.0 110.551 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1602 ' ' LEU . . . . . 0.503 HD22 HD23 ' A' 1534 ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.467 0.423 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 173.68 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 93.8 m-85 . . . . . 0 N--CA 1.466 0.342 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 3.7 t -56.67 116.0 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 C-N-CA 125.473 1.509 . . . . 0.0 109.026 -175.459 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 113.09 -22.76 15.29 Favored Glycine 0 CA--C 1.532 1.119 0 C-N-CA 125.398 1.475 . . . . 0.0 113.332 179.107 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 9.0 mp -74.74 138.5 42.76 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 118.697 1.249 . . . . 0.0 110.938 -172.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 9.9 mtm180 -78.1 127.17 31.9 Favored 'General case' 0 N--CA 1.462 0.157 0 N-CA-C 105.668 -1.975 . . . . 0.0 105.668 168.087 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 18.7 m -142.91 -174.72 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 C-N-CA 125.417 1.487 . . . . 0.0 107.535 -176.288 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 3.4 t -120.38 144.87 27.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 104.672 -2.344 . . . . 0.0 104.672 169.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -145.43 151.23 37.9 Favored 'General case' 0 CA--C 1.516 -0.333 0 C-N-CA 124.498 1.119 . . . . 0.0 109.028 -169.692 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 73.0 tttt -83.08 128.27 34.33 Favored 'General case' 0 CA--C 1.511 -0.557 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 -178.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 24.3 t-105 . . . . . 0 N--CA 1.449 -0.516 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 169.672 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A 1500 ' ' TYR . . . . . 0.413 ' CG ' ' HA ' ' A' 1589 ' ' SER . 12.8 m-30 . . . . . 0 C--O 1.235 0.306 0 CA-C-O 121.501 0.667 . . . . 0.0 110.776 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -86.6 109.89 19.45 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 173.539 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -101.05 150.23 23.12 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 124.792 1.237 . . . . 0.0 108.145 179.34 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 11.2 m -72.92 144.29 47.38 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.381 0.672 . . . . 0.0 109.757 178.586 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -169.39 -178.09 40.42 Favored Glycine 0 C--N 1.335 0.499 0 O-C-N 121.932 -0.48 . . . . 0.0 111.973 -176.562 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 38.6 mtmt -127.17 129.45 47.89 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 106.384 -1.71 . . . . 0.0 106.384 -172.137 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 20.1 mt -73.13 129.4 36.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 59.9 p -104.79 -36.24 7.47 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 123.017 0.527 . . . . 0.0 110.516 -171.31 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -168.08 141.91 3.34 Favored 'General case' 0 C--N 1.344 0.354 0 C-N-CA 124.113 0.965 . . . . 0.0 111.293 176.065 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 7.6 t70 -69.38 103.63 2.05 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 168.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.5 t -64.95 -50.84 73.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 C-N-CA 123.446 0.698 . . . . 0.0 109.454 -176.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 148.66 163.2 10.71 Favored Glycine 0 C--N 1.341 0.845 0 N-CA-C 109.741 -1.343 . . . . 0.0 109.741 178.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.13 11.06 0.69 Allowed 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 115.229 1.566 . . . . 0.0 115.229 177.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 104.26 -6.21 46.11 Favored Glycine 0 CA--C 1.525 0.691 0 C-N-CA 124.892 1.234 . . . . 0.0 111.585 -176.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 10.9 mtpp -74.94 136.27 41.38 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 120.156 1.978 . . . . 0.0 107.27 170.312 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -126.06 138.04 53.68 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 105.309 -2.108 . . . . 0.0 105.309 169.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -84.54 137.65 33.2 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 176.586 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.2 mm? -124.91 118.47 26.37 Favored 'General case' 0 CA--C 1.513 -0.452 0 C-N-CA 124.918 1.287 . . . . 0.0 108.292 -169.62 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 41.7 tp -84.03 94.47 8.31 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 105.252 -2.129 . . . . 0.0 105.252 169.272 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -57.69 148.98 22.94 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 172.11 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -65.19 -21.71 66.8 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -170.281 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 30.5 p-10 -79.07 -2.02 38.53 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.242 1.417 . . . . 0.0 113.219 173.636 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 107.01 -3.49 35.58 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 125.402 1.477 . . . . 0.0 113.799 169.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -79.44 154.56 28.85 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 118.3 1.05 . . . . 0.0 109.53 -175.203 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -140.68 117.52 11.05 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 -176.406 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 75.9 m -142.73 163.94 31.46 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 125.347 1.459 . . . . 0.0 107.79 173.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -87.25 143.2 27.39 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 173.32 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 78.2 t -142.05 137.08 30.27 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.264 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 -177.679 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.5 mt -73.98 151.11 40.39 Favored 'General case' 0 C--O 1.219 -0.55 0 C-N-CA 123.097 0.559 . . . . 0.0 111.943 178.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -58.14 -36.67 83.21 Favored Glycine 0 C--N 1.336 0.553 0 C-N-CA 124.028 0.823 . . . . 0.0 112.759 -176.606 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.12 -20.8 60.06 Favored 'General case' 0 C--O 1.222 -0.352 0 O-C-N 121.495 -1.003 . . . . 0.0 112.374 175.566 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -103.47 20.21 18.29 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.433 1.493 . . . . 0.0 112.225 -175.396 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -131.35 136.91 56.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 N-CA-C 106.748 -1.575 . . . . 0.0 106.748 -177.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 63.3 mt -118.09 110.29 17.46 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 128.119 2.568 . . . . 0.0 104.389 -173.237 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1534 ' ' LEU . . . . . 0.559 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -107.59 -5.74 17.35 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 116.322 1.971 . . . . 0.0 116.322 -169.217 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 21.6 p -129.36 52.34 1.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 105.546 -2.02 . . . . 0.0 105.546 -177.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 56.2 t0 -118.47 61.28 4.5 Favored Pre-proline 0 C--O 1.238 0.482 0 N-CA-C 115.903 1.816 . . . . 0.0 115.903 -168.379 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -73.27 123.99 9.15 Favored 'Trans proline' 0 CA--C 1.546 1.113 1 N-CA-C 99.959 -4.67 . . . . 0.0 99.959 165.707 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1538 ' ' ILE . . . . . 0.548 HG21 HG11 ' A' 1544 ' ' VAL . 5.4 mm -59.84 120.55 50.94 Favored Pre-proline 0 CA--C 1.543 0.69 0 CA-C-N 119.514 1.052 . . . . 0.0 109.491 -168.023 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -63.31 143.64 89.57 Favored 'Trans proline' 0 N--CA 1.456 -0.684 0 C-N-CA 121.794 1.663 . . . . 0.0 110.442 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 2.9 mp -57.14 146.46 27.77 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 169.518 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 5.7 t70 74.54 -3.29 2.6 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 126.905 2.082 . . . . 0.0 113.731 -177.709 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 21.8 m -69.43 136.13 51.18 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 169.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -82.55 135.94 34.97 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 171.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1544 ' ' VAL . . . . . 0.548 HG11 HG21 ' A' 1538 ' ' ILE . 2.6 m -146.74 162.94 8.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 124.092 0.957 . . . . 0.0 109.507 -172.353 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 7.0 m -89.49 134.97 33.86 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 105.87 -1.9 . . . . 0.0 105.87 169.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -105.0 140.46 38.15 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 107.096 -1.446 . . . . 0.0 107.096 173.524 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -137.55 102.43 4.76 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 124.231 1.013 . . . . 0.0 108.958 -169.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 14.7 m -59.97 132.78 55.0 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 105.853 -1.906 . . . . 0.0 105.853 169.709 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -43.08 -38.13 2.24 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.054 1.742 . . . . 0.0 115.011 -168.679 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 31.9 t70 -70.97 -52.03 22.14 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.473 0.579 . . . . 0.0 112.324 -177.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -177.33 -19.79 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 115.273 1.583 . . . . 0.0 115.273 175.162 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -58.35 121.76 11.62 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 119.529 1.058 . . . . 0.0 111.076 -169.458 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 2.5 t80 -112.15 133.53 54.24 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 125.06 1.344 . . . . 0.0 110.838 -169.143 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 4.9 p -151.77 177.46 10.38 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.506 1.522 . . . . 0.0 109.913 172.624 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -135.59 156.02 49.54 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 119.443 1.02 . . . . 0.0 110.363 169.631 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.76 -160.46 19.3 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 126.418 1.961 . . . . 0.0 108.402 -172.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.1 t -130.32 143.25 41.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 CA-C-N 118.777 1.289 . . . . 0.0 110.175 -173.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 62.5 t -65.5 126.59 24.93 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 172.452 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -131.49 13.27 5.0 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 119.348 0.976 . . . . 0.0 111.868 171.372 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -174.48 170.86 44.04 Favored Glycine 0 C--N 1.339 0.726 0 O-C-N 121.186 -0.947 . . . . 0.0 111.527 172.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 11.0 m80 -133.59 155.03 50.39 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 126.134 1.774 . . . . 0.0 109.333 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 37.1 ttt85 . . . . . 0 C--O 1.233 0.231 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 170.252 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 42.7 tp . . . . . 0 N--CA 1.448 -0.552 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -127.74 156.25 42.72 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 125.548 1.539 . . . . 0.0 109.588 -172.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1570 ' ' TYR . . . . . 0.424 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 71.8 m-85 -138.34 130.5 28.63 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 106.417 -1.697 . . . . 0.0 106.417 -175.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.46 101.67 12.82 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 102.82 -3.03 . . . . 0.0 102.82 168.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 32.4 mm -78.94 124.52 37.42 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 N-CA-C 105.107 -2.183 . . . . 0.0 105.107 172.147 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -82.78 123.22 29.12 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 104.59 -2.374 . . . . 0.0 104.59 169.107 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -144.81 138.77 27.32 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 105.046 -2.205 . . . . 0.0 105.046 -176.086 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 51.59 31.93 8.38 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 119.027 0.831 . . . . 0.0 111.901 -172.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 73.04 16.39 78.46 Favored Glycine 0 CA--C 1.533 1.188 0 CA-C-O 118.448 -1.196 . . . . 0.0 114.099 176.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -141.57 154.59 45.54 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 119.069 1.435 . . . . 0.0 110.01 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 42.6 mtm105 -79.64 144.13 34.06 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 -176.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -140.28 129.23 23.38 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 105.346 -2.094 . . . . 0.0 105.346 172.433 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 83.8 m95 -79.59 130.29 35.24 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 179.237 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -131.96 166.8 20.85 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.48 1.512 . . . . 0.0 107.394 169.5 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 59.6 pttt -115.84 167.52 10.87 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.319 1.048 . . . . 0.0 110.292 -176.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 45.7 ttt180 -51.44 -41.63 60.98 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 -169.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 2.3 ppp? -75.38 -17.28 60.25 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-N 121.705 2.048 . . . . 0.0 113.17 178.054 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -90.94 -5.75 55.02 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 125.569 1.548 . . . . 0.0 110.941 173.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 61.2 t -120.2 92.78 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 N-CA-C 106.179 -1.785 . . . . 0.0 106.179 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 9.9 pt -112.6 163.19 9.96 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 -172.042 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 2.9 mt -109.86 115.04 29.1 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 -175.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1589 ' ' SER . . . . . 0.413 ' HA ' ' CG ' ' A' 1500 ' ' TYR . 0.1 OUTLIER -53.26 148.59 8.34 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 169.831 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.3 pp -56.27 -35.58 67.63 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 -168.735 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -67.02 -37.25 83.8 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 121.46 -0.775 . . . . 0.0 110.383 178.265 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -66.57 -51.53 55.44 Favored 'General case' 0 C--O 1.225 -0.224 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 178.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -66.64 -25.91 72.89 Favored Glycine 0 C--N 1.339 0.727 0 CA-C-O 119.238 -0.756 . . . . 0.0 111.759 -173.126 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -56.86 -43.96 81.71 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 118.852 1.326 . . . . 0.0 111.838 172.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 3.6 mtt-85 -62.54 -17.23 59.45 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 179.049 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.6 mp -97.23 -28.64 13.98 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 124.502 1.121 . . . . 0.0 110.42 175.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 64.2 ttp85 -57.27 -38.98 74.73 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 119.327 0.967 . . . . 0.0 111.5 -176.497 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -58.06 -22.37 49.86 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 118.197 -0.906 . . . . 0.0 113.394 178.035 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -114.28 -47.08 2.95 Favored 'General case' 0 C--N 1.348 0.527 0 CA-C-N 119.837 1.199 . . . . 0.0 111.864 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 9.7 m-30 -93.0 -9.71 38.89 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 124.403 1.081 . . . . 0.0 112.273 -170.014 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -52.39 129.37 36.72 Favored Glycine 0 CA--C 1.524 0.652 0 C-N-CA 125.744 1.64 . . . . 0.0 110.523 176.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1602 ' ' LEU . . . . . 0.559 HD22 HD23 ' A' 1534 ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.343 0.302 0 CA-C-N 118.484 1.142 . . . . 0.0 109.176 173.039 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 95.8 m-85 . . . . . 0 N--CA 1.465 0.296 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 16.4 t -59.02 115.0 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 C-N-CA 124.93 1.292 . . . . 0.0 108.748 -175.015 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 116.1 -23.08 10.91 Favored Glycine 0 CA--C 1.532 1.114 0 C-N-CA 125.33 1.443 . . . . 0.0 112.749 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 10.3 mp -74.79 139.91 43.64 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 118.777 1.288 . . . . 0.0 110.954 -172.479 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 55.8 mtm180 -79.08 127.78 32.44 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 105.467 -2.049 . . . . 0.0 105.467 168.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 17.0 m -146.49 -172.77 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 C-N-CA 124.752 1.221 . . . . 0.0 107.74 -173.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.1 t -121.08 147.44 24.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 105.782 -1.932 . . . . 0.0 105.782 170.245 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -146.63 150.37 35.32 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 124.057 0.943 . . . . 0.0 108.594 -170.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 70.3 tttt -83.06 134.03 35.05 Favored 'General case' 0 CA--C 1.512 -0.506 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 177.411 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 28.3 t-105 . . . . . 0 N--CA 1.446 -0.66 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 169.485 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A 1500 ' ' TYR . . . . . 0.415 ' CG ' ' HA ' ' A' 1589 ' ' SER . 12.4 m-30 . . . . . 0 C--O 1.237 0.404 0 CA-C-O 121.361 0.6 . . . . 0.0 110.356 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -85.45 107.75 17.56 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 106.686 -1.598 . . . . 0.0 106.686 173.544 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -99.3 153.79 18.69 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 178.355 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 6.1 m -67.97 147.32 52.6 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.427 -0.796 . . . . 0.0 110.705 175.262 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -165.28 -177.64 37.85 Favored Glycine 0 C--N 1.334 0.432 0 CA-C-O 121.728 0.627 . . . . 0.0 111.659 176.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 40.8 mtmt -132.19 126.91 34.69 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 106.105 -1.813 . . . . 0.0 106.105 -173.127 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 14.2 mt -72.38 133.49 31.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 -177.052 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 34.5 p -109.75 -30.35 7.9 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 123.354 0.662 . . . . 0.0 109.392 -172.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 13.6 ttt-85 -168.15 149.7 5.2 Favored 'General case' 0 C--N 1.342 0.279 0 C-N-CA 123.01 0.524 . . . . 0.0 112.144 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 7.5 t70 -79.34 110.59 14.77 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 103.553 -2.758 . . . . 0.0 103.553 167.017 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.6 t -71.38 -50.45 40.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 147.27 163.92 10.86 Favored Glycine 0 C--N 1.34 0.778 0 N-CA-C 109.755 -1.338 . . . . 0.0 109.755 179.253 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 59.46 7.12 0.91 Allowed 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 115.261 1.578 . . . . 0.0 115.261 177.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 105.33 -6.98 42.88 Favored Glycine 0 CA--C 1.527 0.837 0 C-N-CA 124.502 1.049 . . . . 0.0 111.181 -173.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -75.0 138.47 42.24 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 120.199 1.999 . . . . 0.0 107.975 169.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -127.76 137.04 52.3 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 105.34 -2.096 . . . . 0.0 105.34 169.564 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -83.52 137.39 33.89 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 177.063 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.0 mm? -124.62 119.39 28.9 Favored 'General case' 0 CA--C 1.513 -0.479 0 C-N-CA 125.107 1.363 . . . . 0.0 108.693 -169.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 37.4 tp -83.72 95.46 8.41 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 104.1 -2.556 . . . . 0.0 104.1 169.029 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -58.68 148.86 27.74 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 172.262 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -68.33 -19.65 64.68 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 112.076 0.398 . . . . 0.0 112.076 -170.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 39.0 p-10 -77.37 -1.96 32.7 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.679 1.192 . . . . 0.0 113.025 171.377 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 105.47 -3.81 40.06 Favored Glycine 0 CA--C 1.531 1.047 0 C-N-CA 125.629 1.585 . . . . 0.0 113.586 169.385 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -78.18 158.17 29.12 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.196 0.998 . . . . 0.0 109.53 -176.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -142.4 121.48 12.92 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 -176.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 61.7 m -147.86 166.51 27.38 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 125.578 1.551 . . . . 0.0 107.653 172.067 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -79.89 144.6 33.26 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 170.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 92.8 t -140.58 139.34 35.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 107.262 -1.385 . . . . 0.0 107.262 174.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.2 mt -76.08 150.46 37.28 Favored 'General case' 0 CA--C 1.511 -0.521 0 C-N-CA 123.036 0.534 . . . . 0.0 111.997 178.07 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -57.84 -35.13 73.67 Favored Glycine 0 CA--C 1.522 0.473 0 C-N-CA 123.783 0.706 . . . . 0.0 113.42 -177.19 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.19 -11.21 28.65 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 121.531 -0.982 . . . . 0.0 113.061 174.646 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -115.36 20.83 14.56 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.156 1.782 . . . . 0.0 111.79 -177.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 1.1 mt -130.81 132.43 64.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 N-CA-C 106.256 -1.757 . . . . 0.0 106.256 178.515 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 8.3 mp -117.33 120.25 37.62 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 104.132 -2.544 . . . . 0.0 104.132 -175.194 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1534 ' ' LEU . . . . . 0.477 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -113.99 -1.37 13.81 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 116.905 2.187 . . . . 0.0 116.905 -168.627 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 24.3 p -132.7 50.42 2.24 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 106.483 -1.673 . . . . 0.0 106.483 -177.251 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 55.0 t0 -118.35 61.69 4.51 Favored Pre-proline 0 CA--C 1.54 0.574 0 N-CA-C 116.905 2.187 . . . . 0.0 116.905 -168.492 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -72.39 123.32 9.04 Favored 'Trans proline' 0 CA--C 1.545 1.046 1 N-CA-C 100.848 -4.328 . . . . 0.0 100.848 166.106 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1538 ' ' ILE . . . . . 0.4 ' HB ' ' CE2' ' A' 1570 ' ' TYR . 8.6 mm -60.61 123.65 75.16 Favored Pre-proline 0 CA--C 1.54 0.566 0 CA-C-N 119.839 1.2 . . . . 0.0 109.052 -168.45 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -63.0 145.3 94.23 Favored 'Trans proline' 0 N--CA 1.454 -0.848 0 C-N-CA 121.92 1.747 . . . . 0.0 110.495 176.206 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 3.7 mp -58.86 150.73 23.31 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 170.095 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 22.5 t70 72.68 -5.74 1.79 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 126.3 1.84 . . . . 0.0 113.495 -176.147 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 23.1 m -68.08 136.46 53.81 Favored 'General case' 0 C--O 1.238 0.485 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 169.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -84.23 136.14 34.06 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 107.377 -1.342 . . . . 0.0 107.377 172.211 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -146.07 162.54 10.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 C-N-CA 124.847 1.259 . . . . 0.0 108.881 -170.759 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 5.2 m -88.73 136.17 33.14 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 105.226 -2.139 . . . . 0.0 105.226 169.294 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -110.78 138.61 46.95 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 175.009 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.05 109.92 6.74 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 122.955 0.502 . . . . 0.0 111.025 -169.427 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 9.3 m -65.7 121.86 15.95 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 102.634 -3.099 . . . . 0.0 102.634 167.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 51.4 mp0 -47.47 -28.59 2.25 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 126.776 2.03 . . . . 0.0 115.683 -168.108 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 38.3 t70 -64.09 -46.33 84.74 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.713 0.688 . . . . 0.0 111.698 178.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 174.52 -21.6 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 126.045 1.738 . . . . 0.0 114.238 173.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -59.41 124.5 20.25 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 119.625 1.102 . . . . 0.0 109.631 -169.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 1.3 t80 -120.69 133.27 55.36 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 124.877 1.271 . . . . 0.0 110.413 -169.009 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 3.7 p -152.18 178.88 9.02 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.581 1.552 . . . . 0.0 109.43 170.731 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -132.32 157.34 44.71 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 119.809 1.186 . . . . 0.0 111.017 171.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.76 -163.44 24.8 Favored Glycine 0 CA--C 1.526 0.731 0 C-N-CA 126.358 1.932 . . . . 0.0 109.023 -170.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.9 t -130.19 142.78 42.9 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.335 0 CA-C-N 118.803 1.301 . . . . 0.0 109.666 -173.368 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 70.9 t -65.08 125.16 21.46 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 172.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -129.71 18.57 5.69 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.829 0.852 . . . . 0.0 111.219 173.045 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 174.68 178.56 44.65 Favored Glycine 0 CA--C 1.522 0.497 0 O-C-N 121.609 -0.682 . . . . 0.0 111.45 171.311 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 16.3 m80 -142.01 153.99 44.66 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 126.006 1.723 . . . . 0.0 110.899 -171.374 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 . . . . . 0 N--CA 1.463 0.221 0 C-N-CA 125.43 1.492 . . . . 0.0 107.1 171.095 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 38.2 tp . . . . . 0 N--CA 1.45 -0.446 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A 1569 ' ' TYR . . . . . 0.414 ' CE2' ' HB3' ' A' 1582 ' ' LYS . 32.4 m-85 -126.08 157.76 37.15 Favored 'General case' 0 CA--C 1.515 -0.389 0 C-N-CA 125.804 1.642 . . . . 0.0 109.384 -174.83 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1570 ' ' TYR . . . . . 0.4 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 58.6 m-85 -142.02 129.84 21.73 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 106.872 -1.529 . . . . 0.0 106.872 -173.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.97 97.62 11.06 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 104.877 -2.268 . . . . 0.0 104.877 169.565 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 39.8 mm -80.76 129.98 36.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 106.401 -1.703 . . . . 0.0 106.401 178.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -84.63 118.21 24.23 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 103.538 -2.764 . . . . 0.0 103.538 168.357 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -144.17 133.51 23.19 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 105.11 -2.182 . . . . 0.0 105.11 -169.658 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 52.26 34.29 14.36 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.808 0.843 . . . . 0.0 111.722 -169.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 71.32 18.62 76.94 Favored Glycine 0 CA--C 1.533 1.162 0 CA-C-O 119.029 -0.873 . . . . 0.0 113.898 175.566 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -144.36 155.12 43.65 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 118.575 1.188 . . . . 0.0 109.672 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 71.4 mtp85 -82.06 141.06 33.5 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 121.437 -0.789 . . . . 0.0 109.392 -174.069 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -146.17 130.03 17.21 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 106.359 -1.719 . . . . 0.0 106.359 -177.136 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 90.3 m95 -81.08 131.63 35.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 118.906 0.775 . . . . 0.0 110.053 176.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -134.34 164.6 27.04 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.557 1.543 . . . . 0.0 107.029 169.523 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1582 ' ' LYS . . . . . 0.414 ' HB3' ' CE2' ' A' 1569 ' ' TYR . 60.8 pttt -112.56 167.94 10.05 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 121.191 -0.943 . . . . 0.0 110.995 -178.722 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 67.0 ttp85 -41.36 -56.81 2.35 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.674 1.19 . . . . 0.0 114.056 -176.061 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 1.5 ppp? -71.57 -16.96 62.32 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 120.662 1.574 . . . . 0.0 113.83 -178.644 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -87.91 -6.47 58.04 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.614 1.165 . . . . 0.0 111.622 172.071 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 72.1 t -120.54 90.53 1.62 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 N-CA-C 105.972 -1.862 . . . . 0.0 105.972 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 13.9 pt -109.8 163.27 6.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -172.168 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 8.2 mt -106.29 114.01 27.88 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 106.892 -1.521 . . . . 0.0 106.892 -177.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1589 ' ' SER . . . . . 0.415 ' HA ' ' CG ' ' A' 1500 ' ' TYR . 0.4 OUTLIER -53.28 146.95 11.01 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 106.765 -1.568 . . . . 0.0 106.765 169.657 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.3 pp -53.92 -37.69 64.09 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 -168.503 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -71.16 -35.11 71.52 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.488 -0.757 . . . . 0.0 109.82 -177.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -63.98 -51.77 62.78 Favored 'General case' 0 C--N 1.342 0.257 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 174.284 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -67.16 -28.07 73.64 Favored Glycine 0 C--N 1.339 0.748 0 CA-C-O 119.195 -0.781 . . . . 0.0 111.648 -171.61 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -56.68 -43.41 80.44 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 118.577 1.188 . . . . 0.0 111.404 175.706 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 9.0 mtt-85 -60.96 -19.31 60.83 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 7.3 mp -99.84 -26.69 13.94 Favored 'General case' 0 CA--C 1.527 0.086 0 C-N-CA 124.183 0.993 . . . . 0.0 110.463 177.298 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -61.76 -36.0 79.76 Favored 'General case' 0 C--O 1.224 -0.259 0 O-C-N 121.253 -0.904 . . . . 0.0 110.407 -175.196 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -59.33 -20.93 58.57 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 118.227 -0.892 . . . . 0.0 113.283 177.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -113.62 -46.9 3.02 Favored 'General case' 0 C--N 1.347 0.477 0 CA-C-N 119.787 1.176 . . . . 0.0 111.499 179.061 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 12.6 m-30 -90.59 -17.45 26.92 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.086 0.954 . . . . 0.0 112.386 -169.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -44.38 129.61 7.18 Favored Glycine 0 CA--C 1.53 0.989 0 C-N-CA 126.368 1.937 . . . . 0.0 111.728 170.673 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1602 ' ' LEU . . . . . 0.477 HD22 HD23 ' A' 1534 ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.468 0.448 0 CA-C-N 118.091 0.946 . . . . 0.0 109.239 174.291 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 96.3 m-85 . . . . . 0 N--CA 1.468 0.468 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 21.9 t -60.8 113.83 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 C-N-CA 124.824 1.249 . . . . 0.0 108.631 -173.278 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 116.94 -22.56 10.5 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 125.198 1.38 . . . . 0.0 111.965 179.039 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 10.7 mp -73.34 135.97 44.39 Favored 'General case' 0 C--N 1.341 0.218 0 CA-C-N 118.868 1.334 . . . . 0.0 110.254 -173.494 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 54.8 mtm180 -74.32 128.29 35.16 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 105.765 -1.939 . . . . 0.0 105.765 168.561 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 21.3 m -147.64 -175.07 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 125.028 1.331 . . . . 0.0 107.521 -175.191 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 5.4 t -120.78 148.37 24.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 104.897 -2.261 . . . . 0.0 104.897 169.561 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -143.95 152.85 41.62 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 -172.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 75.8 tttt -82.87 138.69 33.81 Favored 'General case' 0 CA--C 1.51 -0.583 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 177.302 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 31.6 t-105 . . . . . 0 N--CA 1.447 -0.599 0 N-CA-C 105.533 -2.025 . . . . 0.0 105.533 169.23 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 4.3 m-30 . . . . . 0 N--CA 1.478 0.945 0 CA-C-O 121.097 0.475 . . . . 0.0 111.585 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -112.57 118.05 34.03 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 124.803 1.241 . . . . 0.0 107.737 -174.447 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -114.95 152.69 31.92 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.513 1.125 . . . . 0.0 107.967 -176.463 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 4.5 m -69.94 148.84 48.44 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 123.378 0.671 . . . . 0.0 110.622 177.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -169.53 -176.44 39.39 Favored Glycine 0 C--N 1.334 0.457 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 175.353 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.34 141.96 51.44 Favored 'General case' 0 CA--C 1.514 -0.441 0 N-CA-C 106.904 -1.517 . . . . 0.0 106.904 172.578 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 6.6 mt -70.14 135.04 29.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 106.601 -1.629 . . . . 0.0 106.601 175.04 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 47.6 p -110.89 -29.91 7.75 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 -173.4 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 13.8 ttt-85 -166.32 151.49 8.21 Favored 'General case' 0 CA--C 1.517 -0.316 0 C-N-CA 123.11 0.564 . . . . 0.0 112.081 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 6.4 t70 -81.05 110.37 16.51 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 103.105 -2.924 . . . . 0.0 103.105 167.267 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.4 t -70.98 -49.98 45.91 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 147.99 163.99 11.06 Favored Glycine 0 C--N 1.338 0.688 0 N-CA-C 109.901 -1.28 . . . . 0.0 109.901 177.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 60.36 4.31 0.67 Allowed 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 115.597 1.703 . . . . 0.0 115.597 176.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 109.25 -8.04 32.84 Favored Glycine 0 CA--C 1.524 0.632 0 C-N-CA 124.733 1.159 . . . . 0.0 111.164 -172.684 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -75.1 138.54 42.16 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 120.386 2.093 . . . . 0.0 107.957 169.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -127.87 138.02 52.54 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 105.36 -2.089 . . . . 0.0 105.36 169.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -85.02 138.45 32.44 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 177.308 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.0 mm? -124.95 119.48 28.87 Favored 'General case' 0 CA--C 1.515 -0.38 0 C-N-CA 124.799 1.24 . . . . 0.0 108.85 -169.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 38.1 tp -84.67 97.47 9.66 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 105.366 -2.087 . . . . 0.0 105.366 169.518 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -62.81 149.12 44.97 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 172.631 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -67.54 -21.98 65.44 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -172.474 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 20.6 p-10 -76.33 -0.08 21.29 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.272 1.029 . . . . 0.0 112.966 171.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 105.53 -5.63 40.98 Favored Glycine 0 CA--C 1.528 0.889 0 C-N-CA 125.999 1.762 . . . . 0.0 114.115 168.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -78.37 156.28 29.59 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 117.985 0.892 . . . . 0.0 109.77 -174.346 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -140.83 121.14 13.94 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 66.2 m -146.19 166.96 24.67 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 125.491 1.517 . . . . 0.0 108.034 171.298 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -81.84 143.87 31.43 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 172.304 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 81.6 t -140.89 139.05 34.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 106.792 -1.558 . . . . 0.0 106.792 176.41 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.8 mt -75.94 151.84 37.2 Favored 'General case' 0 CA--C 1.51 -0.595 0 O-C-N 121.801 -0.562 . . . . 0.0 110.895 178.338 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -53.81 -35.14 52.27 Favored Glycine 0 CA--C 1.524 0.605 0 C-N-CA 124.524 1.059 . . . . 0.0 113.287 179.232 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -23.48 62.69 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 122.161 -0.611 . . . . 0.0 111.293 177.032 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -109.87 20.68 17.75 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 125.725 1.61 . . . . 0.0 111.522 -171.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -129.14 137.79 56.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 N-CA-C 106.076 -1.824 . . . . 0.0 106.076 178.793 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 51.3 mt -121.74 112.56 18.55 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 104.006 -2.591 . . . . 0.0 104.006 -171.433 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1534 ' ' LEU . . . . . 0.548 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -110.94 -1.56 16.36 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 116.535 2.05 . . . . 0.0 116.535 -168.923 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1535 ' ' CYS . . . . . 0.404 ' C ' ' HD2' ' A' 1537 ' ' PRO . 25.1 p -130.98 50.99 2.18 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 106.451 -1.685 . . . . 0.0 106.451 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -89.95 10.12 0.04 OUTLIER Pre-proline 0 CA--C 1.542 0.646 2 C-N-CA 133.018 4.527 . . . . 0.0 121.918 -169.336 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1537 ' ' PRO . . . . . 0.404 ' HD2' ' C ' ' A' 1535 ' ' CYS . 38.3 Cg_endo -53.49 114.69 1.87 Allowed 'Trans proline' 0 C--N 1.353 0.803 0 CA-C-N 125.715 3.077 . . . . 0.0 107.095 169.562 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 9.1 mm -61.26 122.13 67.95 Favored Pre-proline 0 CA--C 1.537 0.446 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 -168.52 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 17.2 Cg_endo -65.6 142.7 72.14 Favored 'Trans proline' 0 N--CA 1.452 -0.917 0 C-N-CA 121.49 1.46 . . . . 0.0 109.844 176.371 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1540 ' ' LEU . . . . . 0.529 ' H ' HD12 ' A' 1540 ' ' LEU . 4.7 mp -59.35 148.53 32.05 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 177.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 25.8 t70 78.27 -7.74 1.76 Allowed 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 127.59 2.356 . . . . 0.0 113.332 -174.674 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 28.9 m -69.31 140.25 54.35 Favored 'General case' 0 C--O 1.236 0.359 0 O-C-N 121.048 -1.033 . . . . 0.0 108.896 171.102 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -81.87 139.74 34.52 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 174.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 1.4 m -146.01 159.45 11.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 124.554 1.142 . . . . 0.0 109.419 -175.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 2.2 m -89.22 133.24 34.51 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 104.725 -2.324 . . . . 0.0 104.725 169.223 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -105.96 139.38 40.59 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 174.7 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.72 107.87 5.76 Favored 'General case' 0 CA--C 1.514 -0.433 0 C-N-CA 123.426 0.691 . . . . 0.0 110.614 -169.504 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 13.7 m -62.19 132.85 54.12 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 104.747 -2.316 . . . . 0.0 104.747 168.461 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -49.79 -26.14 3.66 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 115.791 1.774 . . . . 0.0 115.791 -168.436 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 20.7 t70 -75.62 -46.92 28.83 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 119.014 0.825 . . . . 0.0 111.825 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 178.47 -24.01 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 177.578 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -57.64 120.88 9.11 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 119.14 0.882 . . . . 0.0 109.982 -169.613 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 2.3 t80 -116.89 130.81 56.94 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 125.456 1.502 . . . . 0.0 110.089 -168.712 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 1.6 p -152.14 178.52 9.39 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.032 1.733 . . . . 0.0 109.141 174.677 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -136.99 157.38 46.86 Favored 'General case' 0 N--CA 1.466 0.36 0 O-C-N 120.401 -1.437 . . . . 0.0 111.077 173.405 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -169.23 -160.98 18.69 Favored Glycine 0 CA--C 1.527 0.818 0 C-N-CA 126.184 1.849 . . . . 0.0 108.953 -171.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.1 t -130.65 143.56 40.56 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.31 0 CA-C-N 118.546 1.173 . . . . 0.0 109.147 -175.596 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 93.7 t -66.38 125.78 24.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 173.626 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 85.5 mttt -132.0 22.99 4.54 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.027 0.83 . . . . 0.0 111.904 169.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 176.58 178.78 46.62 Favored Glycine 0 CA--C 1.524 0.654 0 O-C-N 121.578 -0.701 . . . . 0.0 111.685 169.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 10.1 m80 -142.85 152.87 42.61 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 126.456 1.902 . . . . 0.0 111.086 -171.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 45.5 ttt180 . . . . . 0 N--CA 1.465 0.324 0 C-N-CA 125.46 1.504 . . . . 0.0 107.247 170.693 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 28.9 tp . . . . . 0 N--CA 1.446 -0.647 0 CA-C-O 120.926 0.393 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -128.99 159.78 34.82 Favored 'General case' 0 CA--C 1.517 -0.291 0 C-N-CA 126.063 1.745 . . . . 0.0 108.534 -178.165 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -141.88 137.05 31.09 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 107.243 -1.391 . . . . 0.0 107.243 -174.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.25 98.85 11.53 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 104.477 -2.416 . . . . 0.0 104.477 169.177 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 33.1 mm -79.35 128.11 38.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 178.005 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -84.0 120.78 26.53 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 102.922 -2.992 . . . . 0.0 102.922 168.123 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 24.2 ttpt -142.41 135.09 28.19 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 104.942 -2.244 . . . . 0.0 104.942 -171.551 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 54.64 25.62 6.58 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.264 0.625 . . . . 0.0 112.24 -173.627 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 80.96 14.07 80.11 Favored Glycine 0 C--N 1.343 0.96 0 CA-C-O 119.043 -0.865 . . . . 0.0 113.452 176.228 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -140.87 155.28 46.35 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 118.645 1.223 . . . . 0.0 110.107 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 58.7 mtp85 -80.51 141.66 34.94 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.725 -0.61 . . . . 0.0 109.716 -175.071 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -145.57 130.38 18.13 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 88.7 m95 -81.33 132.2 35.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 118.978 0.808 . . . . 0.0 110.284 176.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -134.08 164.24 27.77 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.012 1.325 . . . . 0.0 108.039 169.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -104.47 168.65 8.95 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.089 1.356 . . . . 0.0 110.239 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 14.1 ttp180 -49.28 -53.96 19.23 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 120.094 1.315 . . . . 0.0 113.66 -178.043 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 1.6 ppp? -70.06 -13.32 62.16 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 121.385 1.902 . . . . 0.0 113.492 -179.196 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -92.36 -4.75 53.4 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.991 1.317 . . . . 0.0 111.48 172.176 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 83.2 t -120.99 90.46 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 N-CA-C 106.204 -1.776 . . . . 0.0 106.204 176.343 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 10.3 pt -106.8 175.65 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.689 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 -176.473 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 6.5 mt -124.63 121.81 35.77 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -175.076 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 4.7 m -58.99 158.11 8.96 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 169.117 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 1.9 pp -54.89 -43.18 72.98 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 121.269 -0.894 . . . . 0.0 113.392 -169.053 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -67.76 -42.04 82.39 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 121.509 -0.745 . . . . 0.0 109.595 -178.334 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -60.08 -41.07 91.64 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.122 0.969 . . . . 0.0 109.948 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -70.67 -32.9 67.01 Favored Glycine 0 C--N 1.341 0.831 0 O-C-N 121.981 -0.45 . . . . 0.0 112.451 178.235 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -64.9 -38.98 92.79 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.936 0.895 . . . . 0.0 111.492 -178.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -54.1 -23.28 13.35 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 118.512 0.596 . . . . 0.0 112.083 174.458 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 11.8 mt -95.19 -31.31 13.57 Favored 'General case' 0 C--O 1.225 -0.213 0 C-N-CA 125.206 1.402 . . . . 0.0 111.207 -178.571 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 9.5 ttm-85 -57.56 -37.39 73.04 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.474 -0.766 . . . . 0.0 111.811 -171.03 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -57.09 -22.1 36.93 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.798 0.839 . . . . 0.0 113.131 177.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -115.4 -44.67 2.97 Favored 'General case' 0 C--N 1.346 0.451 0 CA-C-N 119.659 1.118 . . . . 0.0 112.665 177.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 6.6 m-30 -92.75 -10.47 36.89 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 123.594 0.758 . . . . 0.0 112.768 -169.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -54.84 130.23 46.21 Favored Glycine 0 CA--C 1.528 0.874 0 C-N-CA 125.627 1.584 . . . . 0.0 110.361 177.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1602 ' ' LEU . . . . . 0.548 HD22 HD23 ' A' 1534 ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.234 0.273 0 CA-C-N 118.438 1.119 . . . . 0.0 109.218 173.425 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 94.0 m-85 . . . . . 0 N--CA 1.467 0.412 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 4.1 t -56.15 111.98 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 C-N-CA 125.759 1.623 . . . . 0.0 108.942 -177.672 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 115.43 -21.57 12.78 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 125.301 1.429 . . . . 0.0 112.802 178.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 10.6 mp -72.75 140.09 47.55 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 118.754 1.277 . . . . 0.0 110.357 -175.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 57.1 mtp180 -81.72 126.32 31.66 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 105.558 -2.016 . . . . 0.0 105.558 168.632 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 14.4 m -143.51 -175.08 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 C-N-CA 124.852 1.261 . . . . 0.0 107.975 -173.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.8 t -121.93 144.4 31.27 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 N-CA-C 105.565 -2.013 . . . . 0.0 105.565 170.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -147.3 152.64 38.6 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.396 1.078 . . . . 0.0 109.046 -169.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 76.6 tttt -83.4 132.73 34.97 Favored 'General case' 0 CA--C 1.514 -0.442 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 16.3 t-105 . . . . . 0 CA--C 1.54 0.562 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 169.704 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A 1500 ' ' TYR . . . . . 0.419 ' CG ' ' HA ' ' A' 1589 ' ' SER . 11.3 m-30 . . . . . 0 C--O 1.235 0.307 0 CA-C-O 121.842 0.829 . . . . 0.0 110.412 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -94.94 108.51 20.56 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 105.368 -2.086 . . . . 0.0 105.368 -178.518 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -98.17 151.96 19.87 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 125.055 1.342 . . . . 0.0 108.112 -175.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 3.8 m -69.12 148.74 49.52 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 123.325 0.65 . . . . 0.0 110.262 175.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -172.37 -177.5 41.87 Favored Glycine 0 C--N 1.331 0.289 0 O-C-N 121.641 -0.662 . . . . 0.0 112.378 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -126.19 129.39 48.9 Favored 'General case' 0 CA--C 1.513 -0.466 0 C-N-CA 125.913 1.685 . . . . 0.0 106.593 -174.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 20.2 mt -72.28 128.32 35.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 106.872 -1.529 . . . . 0.0 106.872 179.007 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 73.2 p -102.94 -36.01 8.36 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 123.365 0.666 . . . . 0.0 110.519 -171.404 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -167.73 142.35 3.67 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 124.141 0.976 . . . . 0.0 111.087 176.591 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 6.1 t0 -70.77 103.5 2.61 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 168.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.5 t -64.78 -50.7 74.12 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 -176.021 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 148.67 163.73 11.04 Favored Glycine 0 C--N 1.338 0.656 0 N-CA-C 109.679 -1.368 . . . . 0.0 109.679 178.116 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 57.22 9.43 0.69 Allowed 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 115.016 1.487 . . . . 0.0 115.016 177.183 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 105.17 -5.69 42.13 Favored Glycine 0 C--O 1.222 -0.642 0 C-N-CA 125.099 1.333 . . . . 0.0 111.328 -176.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 11.9 mtpp -75.03 135.49 41.26 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 120.021 1.911 . . . . 0.0 106.983 169.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -126.0 137.41 53.66 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 105.494 -2.039 . . . . 0.0 105.494 169.671 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 28.8 ttpt -84.33 138.49 32.86 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 176.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.4 mm? -125.17 118.29 25.74 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 125.001 1.32 . . . . 0.0 108.349 -169.668 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 32.0 tp -84.02 93.85 8.17 Favored 'General case' 0 CA--C 1.511 -0.539 0 N-CA-C 103.697 -2.705 . . . . 0.0 103.697 168.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -55.81 147.39 19.15 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 172.581 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -68.03 -17.01 64.28 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.086 -169.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 55.9 p-10 -84.39 5.08 28.49 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.485 1.514 . . . . 0.0 112.603 171.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 102.2 -4.56 51.97 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 125.304 1.431 . . . . 0.0 114.536 169.16 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -82.3 157.06 23.98 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 118.523 1.161 . . . . 0.0 110.042 -174.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -140.84 117.98 11.27 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 123.683 0.793 . . . . 0.0 108.874 -175.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 97.3 m -144.66 166.46 25.14 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 125.941 1.696 . . . . 0.0 107.799 174.313 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -94.16 145.23 24.84 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 123.552 0.741 . . . . 0.0 109.706 175.194 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 84.1 t -144.23 137.48 23.43 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 -174.099 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 7.7 mt -74.73 150.49 39.43 Favored 'General case' 0 CA--C 1.514 -0.427 0 C-N-CA 122.916 0.487 . . . . 0.0 111.053 178.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -55.44 -33.74 59.03 Favored Glycine 0 C--N 1.333 0.411 0 C-N-CA 124.402 1.001 . . . . 0.0 113.451 -178.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.85 -32.96 64.1 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 117.548 0.674 . . . . 0.0 110.413 176.514 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -99.72 22.47 10.94 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.579 1.551 . . . . 0.0 112.098 -170.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -132.08 136.29 56.89 Favored 'Isoleucine or valine' 0 C--N 1.347 0.467 0 N-CA-C 107.135 -1.432 . . . . 0.0 107.135 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 62.9 mt -116.25 115.21 25.55 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 127.368 2.267 . . . . 0.0 104.957 -176.632 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1534 ' ' LEU . . . . . 0.546 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -110.7 -3.35 15.86 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 116.165 1.913 . . . . 0.0 116.165 -169.286 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 22.9 p -132.91 52.73 2.06 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 106.395 -1.706 . . . . 0.0 106.395 -177.434 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 51.3 t0 -115.44 62.65 1.78 Allowed Pre-proline 0 CA--C 1.541 0.62 0 N-CA-C 117.439 2.385 . . . . 0.0 117.439 -168.213 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -72.49 119.54 6.18 Favored 'Trans proline' 0 CA--C 1.545 1.071 1 N-CA-C 101.129 -4.22 . . . . 0.0 101.129 166.08 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 9.7 mm -59.85 122.79 68.18 Favored Pre-proline 0 CA--C 1.538 0.506 0 CA-C-N 119.5 1.045 . . . . 0.0 109.496 -168.371 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -65.73 142.74 71.44 Favored 'Trans proline' 0 N--CA 1.452 -0.942 0 C-N-CA 121.453 1.436 . . . . 0.0 110.139 176.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1540 ' ' LEU . . . . . 0.406 ' H ' HD12 ' A' 1540 ' ' LEU . 4.4 mp -56.75 146.92 24.39 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 174.227 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 4.5 t70 77.18 -3.88 2.41 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 127.455 2.302 . . . . 0.0 113.57 -177.24 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 21.6 m -69.72 136.35 50.9 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 171.166 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -75.01 136.5 41.24 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 170.358 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 2.3 m -145.3 160.06 13.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 124.765 1.226 . . . . 0.0 109.183 -177.187 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 4.4 m -90.68 141.97 28.24 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 106.23 -1.767 . . . . 0.0 106.23 169.5 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -118.37 141.77 48.2 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 126.161 1.784 . . . . 0.0 107.866 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -138.75 122.08 17.1 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 123.98 0.912 . . . . 0.0 110.94 -169.644 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 15.5 m -73.41 162.12 29.66 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 107.061 -1.459 . . . . 0.0 107.061 168.311 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -74.23 13.14 0.61 Allowed 'General case' 0 CA--C 1.55 0.952 0 O-C-N 120.872 -1.142 . . . . 0.0 112.7 -175.114 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 21.0 t0 -147.18 60.45 1.17 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.98 1.712 . . . . 0.0 108.913 -177.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1551 ' ' GLU . . . . . . . . . . . . 0.268 6.8 pt-20 58.96 -7.61 0.05 OUTLIER 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 119.304 3.075 . . . . 0.0 119.304 171.104 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -59.82 128.98 39.58 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 121.595 1.998 . . . . 0.0 108.534 171.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -137.09 129.96 30.55 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 124.453 1.101 . . . . 0.0 109.474 -169.161 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 3.3 p -152.06 177.9 10.01 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.609 1.563 . . . . 0.0 109.367 174.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -131.06 156.88 44.43 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 119.723 1.147 . . . . 0.0 111.28 174.069 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.31 -160.06 17.76 Favored Glycine 0 CA--C 1.528 0.901 0 C-N-CA 126.362 1.934 . . . . 0.0 109.038 -170.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.0 t -133.26 142.66 41.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 CA-C-N 118.943 1.371 . . . . 0.0 109.731 -174.004 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 71.4 t -65.43 129.42 29.64 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.161 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 172.037 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -132.93 13.76 4.32 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.813 1.245 . . . . 0.0 111.576 171.203 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -177.47 173.3 46.04 Favored Glycine 0 C--N 1.342 0.896 0 CA-C-N 119.474 1.034 . . . . 0.0 112.603 174.284 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 13.7 m80 -135.25 153.82 51.78 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 126.33 1.852 . . . . 0.0 109.897 -178.273 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 44.7 ttt180 . . . . . 0 C--O 1.233 0.185 0 N-CA-C 107.078 -1.453 . . . . 0.0 107.078 172.27 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 40.3 tp . . . . . 0 N--CA 1.447 -0.603 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -130.7 156.43 44.94 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 124.618 1.167 . . . . 0.0 108.833 -174.08 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -136.67 134.41 37.22 Favored 'General case' 0 N--CA 1.446 -0.661 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 -177.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 36.9 t -82.44 107.35 15.03 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 102.281 -3.229 . . . . 0.0 102.281 168.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 24.7 mm -89.86 124.78 42.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 104.977 -2.231 . . . . 0.0 104.977 171.681 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -84.27 114.25 21.71 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 103.731 -2.692 . . . . 0.0 103.731 168.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -144.2 137.15 27.17 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 105.643 -1.984 . . . . 0.0 105.643 -169.431 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 51.15 32.13 7.53 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.799 0.84 . . . . 0.0 112.179 -170.039 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 68.03 24.26 74.51 Favored Glycine 0 CA--C 1.532 1.146 0 CA-C-O 119.278 -0.734 . . . . 0.0 113.336 178.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -139.05 144.65 38.9 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 118.41 1.105 . . . . 0.0 109.414 178.378 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 75.3 mtm-85 -83.86 125.63 32.16 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -178.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -139.54 131.28 27.43 Favored 'General case' 0 CA--C 1.523 -0.064 0 N-CA-C 107.021 -1.474 . . . . 0.0 107.021 -169.611 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 88.9 m95 -80.12 126.68 31.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 118.243 0.474 . . . . 0.0 110.128 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -127.61 146.49 50.52 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 106.6 -1.63 . . . . 0.0 106.6 169.275 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -86.96 165.45 15.85 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.24 1.016 . . . . 0.0 110.084 -176.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -48.63 -51.47 27.99 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 119.506 1.048 . . . . 0.0 113.24 -177.126 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 2.1 ppp? -67.47 -21.91 65.5 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 119.9 1.227 . . . . 0.0 113.036 -179.309 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -81.44 -11.49 59.22 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 118.631 -0.7 . . . . 0.0 111.556 176.021 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 92.2 t -113.12 91.27 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 N-CA-C 105.651 -1.981 . . . . 0.0 105.651 -174.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 9.3 pt -105.14 164.46 3.98 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 N-CA-C 107.551 -1.278 . . . . 0.0 107.551 -176.677 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 8.0 mt -108.08 122.77 47.56 Favored 'General case' 0 CA--C 1.509 -0.617 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 -176.206 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1589 ' ' SER . . . . . 0.419 ' HA ' ' CG ' ' A' 1500 ' ' TYR . 1.5 m -56.79 141.07 45.71 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 106.254 -1.758 . . . . 0.0 106.254 169.499 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.3 pp -52.22 -37.84 56.27 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 114.172 1.175 . . . . 0.0 114.172 -168.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -67.84 -41.16 83.4 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 119.115 0.87 . . . . 0.0 109.781 178.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -67.55 -40.18 84.98 Favored 'General case' 0 C--O 1.223 -0.337 0 O-C-N 121.676 -0.64 . . . . 0.0 109.38 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -64.41 -31.43 80.84 Favored Glycine 0 CA--C 1.528 0.876 0 O-C-N 121.309 -0.869 . . . . 0.0 112.092 174.303 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -64.84 -37.44 87.64 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 120.886 -1.361 . . . . 0.0 110.943 178.525 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -56.41 -23.88 41.24 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 118.455 0.571 . . . . 0.0 111.466 177.046 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 6.6 mp -99.45 -24.18 14.87 Favored 'General case' 0 C--N 1.342 0.275 0 C-N-CA 125.341 1.456 . . . . 0.0 111.327 -179.199 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 66.2 ttp85 -55.05 -38.51 68.1 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 119.973 1.26 . . . . 0.0 111.477 -177.218 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -59.46 -20.42 55.04 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-O 118.178 -0.915 . . . . 0.0 113.407 178.362 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -114.74 -48.5 2.85 Favored 'General case' 0 C--N 1.346 0.428 0 CA-C-N 120.096 1.316 . . . . 0.0 111.954 178.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.0 m-30 -91.68 -9.12 45.02 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 123.96 0.904 . . . . 0.0 112.268 -170.017 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -54.01 130.99 44.48 Favored Glycine 0 CA--C 1.527 0.816 0 C-N-CA 125.267 1.413 . . . . 0.0 110.795 177.723 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1602 ' ' LEU . . . . . 0.546 HD22 HD23 ' A' 1534 ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.234 0.265 0 CA-C-N 118.455 1.128 . . . . 0.0 109.378 172.753 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 92.0 m-85 . . . . . 0 N--CA 1.467 0.379 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 13.8 t -61.25 120.27 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 C-N-CA 124.084 0.954 . . . . 0.0 108.777 -175.185 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 110.78 -28.35 10.07 Favored Glycine 0 CA--C 1.53 1.005 0 C-N-CA 124.964 1.268 . . . . 0.0 112.619 -177.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 49.5 mt -69.52 139.16 53.79 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 118.728 1.264 . . . . 0.0 112.215 -174.322 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 50.7 mtp180 -81.82 128.43 34.01 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 105.668 -1.975 . . . . 0.0 105.668 168.501 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 14.7 m -145.79 -176.98 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 124.924 1.29 . . . . 0.0 107.63 -172.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.5 t -118.97 143.47 30.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 N-CA-C 105.357 -2.09 . . . . 0.0 105.357 169.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -147.11 153.08 39.51 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 124.233 1.013 . . . . 0.0 110.021 -169.376 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 79.3 tttt -82.71 130.69 35.17 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 -179.313 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 20.6 t-105 . . . . . 0 CA--C 1.539 0.533 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 169.7 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 12.1 m-30 . . . . . 0 C--O 1.237 0.41 0 CA-C-O 121.933 0.873 . . . . 0.0 110.62 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 5.4 m-30 -90.83 108.23 19.7 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 105.947 -1.872 . . . . 0.0 105.947 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -98.1 151.86 19.93 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.0 1.32 . . . . 0.0 108.096 -178.648 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 4.7 m -72.68 149.23 44.0 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 123.22 0.608 . . . . 0.0 110.363 177.66 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -173.26 -176.03 41.48 Favored Glycine 0 C--N 1.335 0.51 0 O-C-N 121.654 -0.654 . . . . 0.0 112.318 -177.591 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 38.7 mtmt -126.0 128.84 48.09 Favored 'General case' 0 CA--C 1.514 -0.428 0 C-N-CA 126.569 1.948 . . . . 0.0 106.868 -174.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 21.9 mt -72.52 134.23 30.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 106.733 -1.58 . . . . 0.0 106.733 177.556 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 43.6 p -110.12 -30.37 7.79 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 123.327 0.651 . . . . 0.0 109.789 -172.456 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 13.4 ttt-85 -168.12 149.0 5.02 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 115.727 -0.67 . . . . 0.0 112.215 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 6.5 t70 -78.45 110.35 13.45 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 103.761 -2.681 . . . . 0.0 103.761 167.272 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.5 t -71.58 -49.93 43.12 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 -179.299 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 147.73 164.04 11.03 Favored Glycine 0 C--N 1.338 0.665 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 178.048 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 60.3 4.52 0.69 Allowed 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 115.304 1.594 . . . . 0.0 115.304 177.351 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 107.86 -7.17 35.67 Favored Glycine 0 CA--C 1.523 0.556 0 C-N-CA 124.656 1.122 . . . . 0.0 111.087 -173.151 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -75.07 138.54 42.2 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 120.074 1.937 . . . . 0.0 107.993 169.609 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -127.9 137.5 52.33 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 105.091 -2.189 . . . . 0.0 105.091 169.653 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 29.4 ttpt -83.68 138.14 33.45 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 177.107 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.3 mm? -124.87 118.43 26.31 Favored 'General case' 0 CA--C 1.51 -0.572 0 C-N-CA 125.091 1.356 . . . . 0.0 108.891 -169.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 33.1 tp -84.08 92.96 8.01 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 103.686 -2.709 . . . . 0.0 103.686 168.657 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -54.49 148.12 12.74 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 171.621 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -67.74 -19.81 65.17 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 122.724 0.41 . . . . 0.0 111.953 -169.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 55.8 p30 -80.01 -0.1 33.96 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.586 1.554 . . . . 0.0 112.978 171.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 106.04 -4.23 38.59 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 125.46 1.505 . . . . 0.0 114.087 169.357 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -81.69 157.63 24.54 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 118.38 1.09 . . . . 0.0 110.155 -174.456 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -141.43 118.46 11.24 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 123.363 0.665 . . . . 0.0 109.287 -174.528 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 74.2 m -144.31 164.44 30.76 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 125.339 1.456 . . . . 0.0 108.472 174.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -81.33 145.13 31.02 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 170.176 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 97.0 t -142.06 139.23 30.49 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.178 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 177.25 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.7 mt -79.33 152.78 30.27 Favored 'General case' 0 CA--C 1.512 -0.498 0 C-N-CA 123.139 0.576 . . . . 0.0 111.937 179.342 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -53.7 -39.69 61.85 Favored Glycine 0 CA--C 1.523 0.534 0 C-N-CA 124.456 1.027 . . . . 0.0 113.788 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1530 ' ' LYS . . . . . . . . . . . . 0.255 0.0 OUTLIER -65.59 -9.98 31.51 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 118.685 1.242 . . . . 0.0 113.128 178.087 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -112.13 21.32 15.98 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.657 1.583 . . . . 0.0 111.525 -177.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -133.66 138.91 49.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 73.5 mt -120.48 116.16 24.89 Favored 'General case' 0 CA--C 1.521 -0.172 0 N-CA-C 104.609 -2.367 . . . . 0.0 104.609 -177.41 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1534 ' ' LEU . . . . . 0.552 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -109.3 -3.1 17.41 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 116.655 2.094 . . . . 0.0 116.655 -169.013 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 24.2 p -134.6 53.81 1.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 105.929 -1.878 . . . . 0.0 105.929 -177.331 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 51.9 t0 -117.26 64.54 3.84 Favored Pre-proline 0 CA--C 1.541 0.597 0 N-CA-C 117.273 2.323 . . . . 0.0 117.273 -168.158 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -72.11 120.36 6.76 Favored 'Trans proline' 0 CA--C 1.545 1.066 1 N-CA-C 100.981 -4.276 . . . . 0.0 100.981 165.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 10.3 mm -60.13 124.08 75.72 Favored Pre-proline 0 CA--C 1.538 0.511 0 CA-C-N 119.3 0.954 . . . . 0.0 109.865 -168.172 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -61.66 143.6 96.74 Favored 'Trans proline' 0 N--CA 1.454 -0.828 0 C-N-CA 122.066 1.844 . . . . 0.0 110.712 175.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1540 ' ' LEU . . . . . 0.486 ' H ' HD12 ' A' 1540 ' ' LEU . 4.1 mp -59.52 149.63 29.29 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 169.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 21.8 t70 74.27 -4.6 2.26 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 127.04 2.136 . . . . 0.0 113.536 -175.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 19.2 m -70.72 133.58 46.72 Favored 'General case' 0 C--O 1.238 0.475 0 O-C-N 120.826 -1.171 . . . . 0.0 108.402 171.393 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -74.48 136.31 42.26 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 170.306 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 2.4 m -145.94 160.56 11.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 C-N-CA 124.309 1.043 . . . . 0.0 109.506 -175.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 7.6 m -90.25 143.12 27.06 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 105.954 -1.869 . . . . 0.0 105.954 169.054 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -121.64 143.29 49.41 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 125.907 1.683 . . . . 0.0 107.438 -179.431 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -138.59 120.44 15.38 Favored 'General case' 0 CA--C 1.518 -0.288 0 C-N-CA 124.04 0.936 . . . . 0.0 109.03 -169.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 14.8 m -71.45 158.56 36.06 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 106.655 -1.609 . . . . 0.0 106.655 168.216 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -73.63 12.86 0.56 Allowed 'General case' 0 CA--C 1.55 0.946 0 O-C-N 121.264 -0.898 . . . . 0.0 112.879 -171.49 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 25.1 t0 -143.18 57.53 1.39 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.649 1.58 . . . . 0.0 109.293 177.03 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1551 ' ' GLU . . . . . . . . . . . . 0.286 9.4 pt-20 59.5 2.97 0.37 Allowed 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 119.34 3.089 . . . . 0.0 119.34 169.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -66.31 131.73 46.77 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 120.47 1.487 . . . . 0.0 107.403 169.58 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -134.22 130.63 37.47 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.358 1.063 . . . . 0.0 109.974 -169.567 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 2.4 p -152.05 178.82 9.05 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.654 1.582 . . . . 0.0 109.504 173.606 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -131.42 159.2 38.72 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 119.599 1.091 . . . . 0.0 111.0 173.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.87 -159.8 17.8 Favored Glycine 0 CA--C 1.528 0.893 0 C-N-CA 126.348 1.928 . . . . 0.0 109.278 -172.389 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.4 t -130.98 142.23 44.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-N 118.743 1.271 . . . . 0.0 109.454 -175.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 80.9 t -64.59 126.29 23.15 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 171.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 82.3 mttt -131.84 20.34 4.59 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 119.494 1.043 . . . . 0.0 111.732 170.382 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 176.98 179.34 47.33 Favored Glycine 0 CA--C 1.524 0.622 0 O-C-N 121.762 -0.586 . . . . 0.0 111.989 169.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 10.3 m80 -141.95 157.26 45.16 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 125.893 1.677 . . . . 0.0 110.887 -172.446 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 6.4 ttt-85 . . . . . 0 N--CA 1.465 0.287 0 C-N-CA 125.916 1.686 . . . . 0.0 107.319 169.845 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 36.9 tp . . . . . 0 N--CA 1.445 -0.699 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -124.44 155.4 38.94 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 125.084 1.354 . . . . 0.0 108.651 -174.681 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -138.25 128.41 25.81 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 106.382 -1.71 . . . . 0.0 106.382 -176.743 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -86.19 96.19 9.84 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 104.748 -2.316 . . . . 0.0 104.748 169.616 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 36.7 mm -79.04 130.53 36.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 105.98 -1.859 . . . . 0.0 105.98 177.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -83.9 118.11 23.77 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 103.695 -2.706 . . . . 0.0 103.695 168.311 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -143.93 134.56 24.93 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 105.055 -2.202 . . . . 0.0 105.055 -169.747 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 51.16 35.06 12.32 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.757 0.823 . . . . 0.0 111.637 -169.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 73.64 15.41 79.33 Favored Glycine 0 CA--C 1.532 1.115 0 CA-C-O 119.008 -0.885 . . . . 0.0 114.184 173.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -143.86 157.75 44.15 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 118.871 1.336 . . . . 0.0 109.5 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -79.99 140.97 36.38 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 121.555 -0.716 . . . . 0.0 109.263 -176.119 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -143.1 130.51 21.06 Favored 'General case' 0 CA--C 1.521 -0.136 0 N-CA-C 106.058 -1.83 . . . . 0.0 106.058 -178.426 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 89.6 m95 -80.83 131.63 35.41 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 118.741 0.701 . . . . 0.0 110.131 176.763 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -133.13 162.7 31.05 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 169.48 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -107.96 166.54 10.64 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.354 1.062 . . . . 0.0 109.791 -176.265 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 20.8 ttp180 -48.43 -47.0 38.32 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -178.174 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 1.7 ppp? -69.16 -23.97 64.01 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 120.648 1.567 . . . . 0.0 112.531 179.03 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -87.79 -6.29 58.22 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 124.59 1.156 . . . . 0.0 111.543 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 92.7 t -116.8 99.44 8.29 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.538 0 N-CA-C 105.84 -1.911 . . . . 0.0 105.84 -178.243 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 8.5 pt -116.75 164.1 13.36 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -172.709 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 8.7 mt -112.95 125.41 54.36 Favored 'General case' 0 CA--C 1.509 -0.626 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 -171.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.67 136.26 58.01 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 105.821 -1.918 . . . . 0.0 105.821 169.146 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 3.0 pp -54.65 -36.17 64.29 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -169.377 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -63.18 -37.53 87.57 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.633 0.773 . . . . 0.0 109.517 -178.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 44.1 mm-40 -75.5 -45.19 39.79 Favored 'General case' 0 C--O 1.225 -0.207 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 178.393 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -58.53 -31.2 66.44 Favored Glycine 0 C--N 1.34 0.76 0 C-N-CA 123.66 0.647 . . . . 0.0 112.062 178.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -58.32 -40.43 82.06 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 118.558 1.179 . . . . 0.0 111.744 174.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -61.27 -22.26 64.67 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 118.927 0.785 . . . . 0.0 111.733 177.277 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 7.3 mp -94.53 -26.12 16.56 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 124.067 0.947 . . . . 0.0 110.733 175.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -57.65 -39.72 77.65 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.881 1.272 . . . . 0.0 110.486 -176.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -58.99 -19.4 43.04 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-O 117.737 -1.125 . . . . 0.0 113.614 178.03 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -115.42 -49.99 2.74 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 120.575 1.534 . . . . 0.0 112.177 176.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 8.9 m-30 -91.43 -9.6 44.04 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 124.756 1.223 . . . . 0.0 112.258 -170.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -55.38 130.91 48.49 Favored Glycine 0 CA--C 1.523 0.586 0 C-N-CA 125.206 1.384 . . . . 0.0 109.891 177.324 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1602 ' ' LEU . . . . . 0.552 HD22 HD23 ' A' 1534 ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.462 0.154 0 N-CA-C 107.377 -1.342 . . . . 0.0 107.377 170.681 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 78.0 m-85 . . . . . 0 C--O 1.225 -0.202 0 CA-C-O 120.876 0.37 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 6.9 t -63.06 114.65 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 C-N-CA 125.748 1.619 . . . . 0.0 109.076 -172.495 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 112.91 -19.91 20.4 Favored Glycine 0 CA--C 1.528 0.846 0 C-N-CA 124.416 1.008 . . . . 0.0 112.427 179.13 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 9.5 mp -76.04 140.46 41.95 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 118.694 1.247 . . . . 0.0 109.939 -173.576 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 26.2 mtt-85 -79.09 129.86 34.89 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 106.553 -1.647 . . . . 0.0 106.553 168.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 16.5 m -147.76 -175.37 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 C-N-CA 124.948 1.299 . . . . 0.0 108.175 -174.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 4.1 t -118.91 144.15 28.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 105.335 -2.098 . . . . 0.0 105.335 169.739 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -145.73 152.45 39.61 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.475 1.11 . . . . 0.0 109.14 -169.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 78.1 tttt -83.01 131.94 35.16 Favored 'General case' 0 CA--C 1.515 -0.371 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 177.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 15.0 t-105 . . . . . 0 CA--C 1.539 0.532 0 N-CA-C 108.444 -0.946 . . . . 0.0 108.444 169.139 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 11.4 m-30 . . . . . 0 C--O 1.235 0.312 0 CA-C-O 121.918 0.866 . . . . 0.0 109.965 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -93.72 108.3 20.07 Favored 'General case' 0 N--CA 1.442 -0.832 0 N-CA-C 105.967 -1.864 . . . . 0.0 105.967 -177.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -99.62 155.04 17.81 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 -178.063 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 6.9 m -66.11 146.17 54.97 Favored 'General case' 0 C--O 1.236 0.345 0 O-C-N 121.529 -0.732 . . . . 0.0 110.425 173.145 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -167.22 -179.01 39.9 Favored Glycine 0 C--N 1.332 0.326 0 N-CA-C 111.612 -0.595 . . . . 0.0 111.612 -179.145 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -134.34 126.16 29.09 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 105.926 -1.879 . . . . 0.0 105.926 -170.547 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 15.8 mt -73.13 134.43 29.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 106.749 -1.574 . . . . 0.0 106.749 -176.364 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 51.3 p -110.03 -35.97 5.99 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 123.003 0.521 . . . . 0.0 110.669 -171.333 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -166.6 141.91 4.4 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.772 0.829 . . . . 0.0 111.432 174.436 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 5.9 t0 -69.36 102.56 1.78 Allowed 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 124.907 1.283 . . . . 0.0 107.666 168.719 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.5 t -64.96 -51.07 71.34 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 -176.464 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 146.19 164.86 11.16 Favored Glycine 0 C--N 1.339 0.741 0 N-CA-C 109.762 -1.335 . . . . 0.0 109.762 179.177 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 59.02 8.03 0.93 Allowed 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 178.181 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 103.66 -6.77 49.14 Favored Glycine 0 C--N 1.34 0.8 0 C-N-CA 124.228 0.918 . . . . 0.0 111.362 -173.406 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -75.34 137.62 41.22 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 120.567 2.183 . . . . 0.0 107.927 169.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -127.69 136.47 51.62 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 105.155 -2.165 . . . . 0.0 105.155 169.541 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -82.98 137.34 34.2 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 177.233 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 2.9 mm? -124.39 118.98 27.91 Favored 'General case' 0 CA--C 1.511 -0.556 0 C-N-CA 125.232 1.413 . . . . 0.0 109.046 -169.665 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 35.6 tp -84.07 98.05 9.65 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 105.543 -2.021 . . . . 0.0 105.543 169.286 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -61.92 152.88 30.79 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 122.851 0.461 . . . . 0.0 109.884 175.121 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -65.79 -23.03 66.62 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 122.142 -0.349 . . . . 0.0 110.994 170.241 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 26.4 t0 -62.39 -15.28 47.98 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.494 1.518 . . . . 0.0 111.8 170.249 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 102.29 -0.16 50.53 Favored Glycine 0 CA--C 1.533 1.163 0 C-N-CA 125.474 1.511 . . . . 0.0 113.245 171.297 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -93.67 162.12 14.07 Favored 'General case' 0 C--O 1.228 -0.06 0 C-N-CA 124.481 1.113 . . . . 0.0 109.728 -173.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -138.51 118.94 13.77 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 79.8 m -146.25 165.23 29.84 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 125.733 1.613 . . . . 0.0 108.186 172.469 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -76.54 143.33 40.43 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 172.164 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 96.1 t -140.15 136.93 37.86 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 N-CA-C 106.778 -1.564 . . . . 0.0 106.778 174.589 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.1 mt -74.85 148.43 40.22 Favored 'General case' 0 CA--C 1.509 -0.625 0 O-C-N 121.833 -0.542 . . . . 0.0 111.466 178.076 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -57.5 -35.12 71.11 Favored Glycine 0 CA--C 1.521 0.45 0 C-N-CA 124.088 0.851 . . . . 0.0 113.311 -176.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1530 ' ' LYS . . . . . 0.448 ' HD2' ' H ' ' A' 1530 ' ' LYS . 0.0 OUTLIER -60.82 -18.74 57.41 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 118.855 1.328 . . . . 0.0 112.638 173.881 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -106.46 22.81 15.21 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.543 1.537 . . . . 0.0 111.605 -176.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1532 ' ' ILE . . . . . 0.405 ' HB ' ' HG ' ' A' 1602 ' ' LEU . 1.1 mt -133.64 137.65 52.34 Favored 'Isoleucine or valine' 0 C--N 1.346 0.426 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 70.6 mt -119.55 114.75 22.73 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 127.478 2.311 . . . . 0.0 104.777 -175.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1534 ' ' LEU . . . . . 0.554 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -108.51 -3.5 18.05 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 116.713 2.116 . . . . 0.0 116.713 -168.939 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 24.3 p -133.79 54.46 1.95 Allowed 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 106.02 -1.845 . . . . 0.0 106.02 -177.433 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 53.9 t0 -116.89 62.44 2.82 Favored Pre-proline 0 CA--C 1.538 0.514 0 N-CA-C 117.197 2.295 . . . . 0.0 117.197 -168.361 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -72.66 121.84 7.72 Favored 'Trans proline' 0 CA--C 1.545 1.028 1 N-CA-C 100.798 -4.347 . . . . 0.0 100.798 165.758 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1538 ' ' ILE . . . . . 0.493 HG21 HG11 ' A' 1544 ' ' VAL . 4.9 mm -60.01 122.39 65.74 Favored Pre-proline 0 CA--C 1.539 0.546 0 CA-C-N 119.298 0.954 . . . . 0.0 108.682 -168.005 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -62.14 144.97 96.48 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 121.869 1.713 . . . . 0.0 110.709 178.199 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1540 ' ' LEU . . . . . 0.421 ' H ' HD12 ' A' 1540 ' ' LEU . 4.0 mp -58.62 148.85 27.49 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 169.586 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 21.4 t70 73.02 -4.57 2.14 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.49 1.916 . . . . 0.0 113.507 -176.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 23.5 m -68.29 136.3 53.26 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 169.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -84.49 135.16 34.35 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 172.107 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1544 ' ' VAL . . . . . 0.493 HG11 HG21 ' A' 1538 ' ' ILE . 2.4 m -147.61 163.09 6.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 124.469 1.108 . . . . 0.0 109.17 -171.055 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 6.3 m -88.66 142.82 27.37 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 105.81 -1.922 . . . . 0.0 105.81 169.725 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -116.56 142.51 46.79 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 125.726 1.61 . . . . 0.0 107.052 176.068 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.1 112.23 9.07 Favored 'General case' 0 CA--C 1.514 -0.406 0 C-N-CA 123.992 0.917 . . . . 0.0 109.197 -169.554 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 19.5 m -65.5 140.92 58.62 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 104.847 -2.279 . . . . 0.0 104.847 168.49 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -60.14 16.51 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 117.818 2.525 . . . . 0.0 117.818 -168.588 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 38.0 t70 -131.94 -41.57 1.02 Allowed 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 117.354 -1.307 . . . . 0.0 112.747 175.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -172.0 -32.71 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 120.363 1.438 . . . . 0.0 114.299 172.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -53.93 120.09 5.89 Favored 'General case' 0 C--N 1.341 0.217 0 C-N-CA 124.108 0.963 . . . . 0.0 111.017 -168.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 3.2 t80 -118.03 132.31 56.39 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 125.353 1.461 . . . . 0.0 110.681 -168.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 2.7 p -152.45 177.81 10.21 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.05 1.34 . . . . 0.0 109.419 171.137 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -133.67 156.77 47.32 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 121.013 -1.054 . . . . 0.0 111.22 171.467 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -169.31 -161.64 20.06 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 126.427 1.965 . . . . 0.0 108.975 -172.087 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.4 t -129.94 142.83 42.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 CA-C-N 118.864 1.332 . . . . 0.0 109.618 -174.011 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 76.4 t -65.53 123.81 19.21 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 173.755 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 79.1 mttt -131.84 31.7 4.18 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 119.328 0.967 . . . . 0.0 111.55 171.273 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 166.44 177.34 38.33 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.328 -0.709 . . . . 0.0 111.328 169.009 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 7.3 m80 -141.1 155.41 46.13 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 126.436 1.895 . . . . 0.0 110.492 -174.054 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 . . . . . 0 N--CA 1.46 0.057 0 C-N-CA 125.243 1.417 . . . . 0.0 107.542 170.015 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 45.7 tp . . . . . 0 N--CA 1.448 -0.568 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -125.94 155.73 40.87 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 125.066 1.346 . . . . 0.0 109.488 -173.053 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1570 ' ' TYR . . . . . 0.427 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 64.8 m-85 -138.45 127.54 24.12 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 106.087 -1.82 . . . . 0.0 106.087 -174.44 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.5 p -87.17 94.29 9.61 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 105.671 -1.974 . . . . 0.0 105.671 169.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 42.7 mm -76.58 127.96 37.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 106.425 -1.694 . . . . 0.0 106.425 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -83.32 124.29 30.47 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 104.237 -2.505 . . . . 0.0 104.237 168.66 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -144.78 136.97 26.11 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 105.239 -2.134 . . . . 0.0 105.239 -176.182 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 53.34 28.39 7.32 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.673 0.789 . . . . 0.0 112.292 -174.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 77.74 15.57 81.12 Favored Glycine 0 CA--C 1.531 1.065 0 CA-C-O 119.21 -0.772 . . . . 0.0 113.73 175.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -140.84 153.88 45.96 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 118.415 1.108 . . . . 0.0 109.239 177.099 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 68.2 mtm180 -88.28 145.81 25.66 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 119.144 0.884 . . . . 0.0 110.526 -176.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.7 tmtt? -143.63 132.37 22.56 Favored 'General case' 0 N--CA 1.46 0.068 0 N-CA-C 105.926 -1.879 . . . . 0.0 105.926 -175.075 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 89.9 m95 -80.82 131.24 35.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 118.779 0.718 . . . . 0.0 110.23 178.339 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -133.27 164.21 27.59 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.377 1.471 . . . . 0.0 107.103 169.465 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -110.94 165.39 11.9 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.039 0.935 . . . . 0.0 110.252 -176.267 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 24.8 ttp180 -43.92 -54.97 4.9 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 117.441 -1.266 . . . . 0.0 114.057 -177.242 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 2.0 ppp? -67.99 -20.33 65.02 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 120.773 1.624 . . . . 0.0 112.995 -178.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -89.35 -5.19 57.7 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.27 1.428 . . . . 0.0 111.116 176.087 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 67.8 t -118.77 92.92 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 N-CA-C 105.786 -1.931 . . . . 0.0 105.786 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 9.6 pt -114.23 162.61 12.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -170.108 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 3.9 mt -111.57 118.62 36.21 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -173.577 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.22 142.58 42.48 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 105.885 -1.895 . . . . 0.0 105.885 169.168 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 3.0 pp -55.01 -34.97 63.9 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.87 1.214 . . . . 0.0 112.975 -169.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -64.5 -36.87 85.58 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 123.166 0.586 . . . . 0.0 110.751 179.136 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -69.56 -49.83 50.55 Favored 'General case' 0 C--O 1.223 -0.332 0 C-N-CA 124.462 1.105 . . . . 0.0 108.111 175.587 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -60.8 -28.29 68.04 Favored Glycine 0 C--N 1.338 0.651 0 C-N-CA 124.157 0.884 . . . . 0.0 112.296 -176.753 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -57.32 -42.49 81.97 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 118.35 1.075 . . . . 0.0 111.139 174.117 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -59.3 -24.73 63.54 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 118.248 0.476 . . . . 0.0 111.731 179.068 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 7.9 mp -93.94 -26.85 16.67 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.101 0.96 . . . . 0.0 110.834 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -56.71 -39.09 73.26 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 119.601 1.091 . . . . 0.0 111.403 -176.258 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -59.57 -20.19 53.94 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-O 118.027 -0.987 . . . . 0.0 113.289 179.458 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -114.55 -48.49 2.86 Favored 'General case' 0 C--N 1.346 0.425 0 CA-C-N 119.95 1.25 . . . . 0.0 112.137 177.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 9.2 m-30 -91.74 -9.57 43.22 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 124.137 0.975 . . . . 0.0 112.285 -170.037 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -57.82 129.15 49.11 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 125.549 1.547 . . . . 0.0 110.606 -179.217 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1602 ' ' LEU . . . . . 0.554 HD22 HD23 ' A' 1534 ' ' LEU . 0.7 OUTLIER . . . . . 0 C--O 1.236 0.373 0 CA-C-N 118.356 1.078 . . . . 0.0 109.088 175.769 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 94.1 m-85 . . . . . 0 N--CA 1.466 0.36 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 4.0 t -57.22 111.94 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 C-N-CA 125.933 1.693 . . . . 0.0 109.032 -175.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 116.19 -21.11 12.25 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 125.302 1.43 . . . . 0.0 112.935 178.515 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 9.4 mp -74.85 138.64 42.64 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 118.879 1.34 . . . . 0.0 110.628 -173.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -78.53 127.61 32.39 Favored 'General case' 0 N--CA 1.461 0.121 0 N-CA-C 106.272 -1.751 . . . . 0.0 106.272 168.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 17.5 m -146.74 -175.43 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 125.591 1.556 . . . . 0.0 107.564 -174.193 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 15.0 t -119.56 151.12 21.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 104.463 -2.421 . . . . 0.0 104.463 169.311 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -146.69 151.94 38.03 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 -171.748 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 77.4 tttt -83.75 133.27 34.79 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 106.507 -1.664 . . . . 0.0 106.507 176.223 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 26.2 t-105 . . . . . 0 N--CA 1.443 -0.824 0 N-CA-C 104.386 -2.45 . . . . 0.0 104.386 168.964 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 4.7 m-30 . . . . . 0 N--CA 1.475 0.784 0 CA-C-O 121.17 0.51 . . . . 0.0 111.27 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -110.71 112.9 25.1 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 106.786 -1.561 . . . . 0.0 106.786 -170.437 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -113.09 151.49 30.72 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 -173.292 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 2.7 m -67.48 151.53 47.22 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 124.178 0.991 . . . . 0.0 110.396 177.44 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -171.37 -177.33 41.06 Favored Glycine 0 C--N 1.333 0.386 0 O-C-N 121.47 -0.769 . . . . 0.0 112.552 178.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 36.2 mtmt -131.96 129.06 39.7 Favored 'General case' 0 CA--C 1.517 -0.312 0 C-N-CA 126.234 1.813 . . . . 0.0 106.253 -174.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 15.7 mt -73.02 130.68 35.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 -177.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 72.9 p -105.39 -36.25 7.24 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 123.153 0.581 . . . . 0.0 110.362 -170.647 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -168.02 142.26 3.46 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 124.209 1.004 . . . . 0.0 111.044 175.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 6.1 t70 -69.51 102.93 1.92 Allowed 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.144 1.377 . . . . 0.0 107.374 168.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.4 t -64.5 -51.0 73.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 -176.386 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 145.96 165.06 11.22 Favored Glycine 0 C--N 1.339 0.696 0 N-CA-C 109.697 -1.361 . . . . 0.0 109.697 178.429 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 60.07 6.42 0.96 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.146 1.378 . . . . 0.0 114.706 178.525 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 105.72 -7.35 42.02 Favored Glycine 0 C--N 1.337 0.629 0 C-N-CA 124.788 1.185 . . . . 0.0 110.982 -173.711 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -74.68 138.84 43.09 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-N 120.515 2.158 . . . . 0.0 108.155 169.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -127.78 136.87 52.08 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 105.051 -2.203 . . . . 0.0 105.051 169.419 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -83.96 138.71 33.0 Favored 'General case' 0 CA--C 1.51 -0.575 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 176.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.1 mm? -124.52 119.07 28.05 Favored 'General case' 0 CA--C 1.508 -0.651 0 C-N-CA 124.862 1.265 . . . . 0.0 108.401 -169.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 28.8 tp -83.54 93.45 7.84 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 103.68 -2.711 . . . . 0.0 103.68 168.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -54.65 147.39 14.61 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 172.588 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -61.98 -20.77 64.22 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.115 0.566 . . . . 0.0 110.8 -178.527 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.5 -20.07 64.24 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 128.025 2.53 . . . . 0.0 111.124 173.646 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 102.22 2.14 51.18 Favored Glycine 0 CA--C 1.538 1.517 0 C-N-CA 126.305 1.907 . . . . 0.0 113.525 -178.263 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -89.87 159.94 16.71 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 125.211 1.404 . . . . 0.0 109.227 -175.349 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -141.85 117.95 10.66 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 -174.736 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 62.0 m -143.88 161.03 39.73 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 125.202 1.401 . . . . 0.0 108.024 177.504 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -78.85 145.42 34.24 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 170.385 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 80.5 t -141.9 140.48 30.15 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.242 0 N-CA-C 106.722 -1.584 . . . . 0.0 106.722 174.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 5.6 mt -77.41 149.17 35.17 Favored 'General case' 0 CA--C 1.512 -0.514 0 O-C-N 121.972 -0.455 . . . . 0.0 111.617 177.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -54.73 -39.36 67.04 Favored Glycine 0 C--N 1.335 0.524 0 C-N-CA 124.743 1.164 . . . . 0.0 112.426 -175.428 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.01 -31.47 63.11 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-N 117.974 0.887 . . . . 0.0 111.743 177.131 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -98.54 23.81 8.16 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.676 1.59 . . . . 0.0 112.996 -173.147 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -127.38 132.59 69.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 N-CA-C 105.717 -1.957 . . . . 0.0 105.717 178.309 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 55.1 mt -113.15 106.34 14.53 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 127.688 2.395 . . . . 0.0 104.833 -172.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1534 ' ' LEU . . . . . 0.567 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -103.12 -2.74 26.89 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 116.223 1.934 . . . . 0.0 116.223 -169.176 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 20.8 p -133.41 54.54 1.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 105.899 -1.889 . . . . 0.0 105.899 -176.73 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 52.0 t0 -120.4 61.22 8.22 Favored Pre-proline 0 CA--C 1.538 0.506 0 N-CA-C 116.626 2.084 . . . . 0.0 116.626 -167.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -71.92 122.75 8.75 Favored 'Trans proline' 0 CA--C 1.545 1.026 1 N-CA-C 100.367 -4.513 . . . . 0.0 100.367 165.429 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1538 ' ' ILE . . . . . 0.432 HG21 HG11 ' A' 1544 ' ' VAL . 5.2 mm -60.06 120.76 53.55 Favored Pre-proline 0 CA--C 1.541 0.608 0 CA-C-N 119.779 1.172 . . . . 0.0 109.358 -167.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -61.9 144.66 96.83 Favored 'Trans proline' 0 N--CA 1.453 -0.903 0 C-N-CA 122.052 1.835 . . . . 0.0 110.486 178.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1540 ' ' LEU . . . . . 0.493 ' H ' HD12 ' A' 1540 ' ' LEU . 4.2 mp -60.18 147.69 38.93 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 169.522 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 23.9 t70 75.69 -5.83 2.1 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 127.554 2.342 . . . . 0.0 113.694 -174.657 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 22.4 m -68.86 133.04 47.71 Favored 'General case' 0 C--O 1.238 0.494 0 O-C-N 120.971 -1.081 . . . . 0.0 108.333 171.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -75.69 136.21 40.38 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 169.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1544 ' ' VAL . . . . . 0.432 HG11 HG21 ' A' 1538 ' ' ILE . 2.4 m -146.2 159.62 11.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 C-N-CA 124.489 1.115 . . . . 0.0 109.328 -175.194 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 3.5 m -89.42 128.18 35.91 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 105.117 -2.179 . . . . 0.0 105.117 169.744 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -94.13 140.74 29.37 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 171.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.43 99.17 3.77 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.67 0.788 . . . . 0.0 110.049 -170.838 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 6.1 m -62.39 121.22 12.67 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 103.886 -2.635 . . . . 0.0 103.886 169.045 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -44.6 -26.45 0.37 Allowed 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 127.115 2.166 . . . . 0.0 116.658 -167.782 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 26.9 t70 -70.21 -44.82 67.85 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 119.466 1.03 . . . . 0.0 111.973 177.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 175.38 -26.54 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.692 1.597 . . . . 0.0 113.975 176.157 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -53.79 120.5 6.35 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 118.97 0.805 . . . . 0.0 111.153 -169.158 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 1.8 t80 -115.52 133.3 56.16 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 125.005 1.322 . . . . 0.0 110.375 -168.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 6.1 p -152.41 177.1 10.96 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 125.67 1.588 . . . . 0.0 109.141 171.648 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -134.42 156.13 49.09 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 119.415 1.007 . . . . 0.0 110.536 169.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -171.46 -160.63 20.44 Favored Glycine 0 CA--C 1.525 0.669 0 C-N-CA 126.277 1.894 . . . . 0.0 108.552 -171.298 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 4.5 t -131.9 141.74 44.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-N 118.561 1.18 . . . . 0.0 109.623 -173.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 73.9 t -65.04 125.25 21.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 171.483 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 81.7 mttt -131.16 20.67 4.87 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 119.451 1.023 . . . . 0.0 111.544 169.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 178.98 179.17 48.64 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.568 -0.613 . . . . 0.0 111.568 170.378 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 8.5 m80 -141.64 153.95 45.06 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 126.731 2.013 . . . . 0.0 110.778 -172.624 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 . . . . . 0 C--O 1.233 0.234 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 170.026 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 30.0 tp . . . . . 0 C--O 1.234 0.282 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -128.21 158.56 37.76 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 125.937 1.695 . . . . 0.0 109.916 -176.141 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -141.04 131.8 25.77 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 -174.605 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.1 p -89.67 100.82 13.54 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 105.022 -2.214 . . . . 0.0 105.022 169.666 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 39.1 mm -80.43 126.99 39.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 106.604 -1.628 . . . . 0.0 106.604 177.606 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -87.19 126.12 34.6 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 104.795 -2.298 . . . . 0.0 104.795 168.519 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -145.51 134.79 22.94 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 105.241 -2.133 . . . . 0.0 105.241 -173.055 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 51.55 33.14 9.99 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.305 0.957 . . . . 0.0 112.6 -176.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 71.66 19.5 77.98 Favored Glycine 0 CA--C 1.532 1.116 0 CA-C-O 119.114 -0.826 . . . . 0.0 113.765 176.693 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -141.61 164.55 29.92 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.921 1.289 . . . . 0.0 108.325 177.309 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -112.41 142.77 44.55 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 119.577 1.08 . . . . 0.0 111.007 -169.518 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -143.21 132.28 23.03 Favored 'General case' 0 N--CA 1.461 0.075 0 N-CA-C 106.85 -1.537 . . . . 0.0 106.85 -171.209 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 88.1 m95 -81.06 130.16 34.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 118.63 0.65 . . . . 0.0 109.95 177.272 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -133.32 166.73 21.82 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.058 1.343 . . . . 0.0 107.497 169.644 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -115.43 167.6 10.73 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.999 1.32 . . . . 0.0 110.3 -178.36 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 23.5 ttp-105 -42.96 -56.39 3.32 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 119.966 1.257 . . . . 0.0 113.516 -172.327 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 1.9 ppp? -73.44 -12.26 60.74 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 120.71 1.595 . . . . 0.0 113.899 -175.463 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -92.36 -3.01 55.98 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.928 1.691 . . . . 0.0 110.936 169.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 58.2 t -120.98 89.82 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.586 0 N-CA-C 106.166 -1.79 . . . . 0.0 106.166 175.545 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 8.6 pt -108.15 166.04 4.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 -173.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 6.0 mt -111.41 120.07 40.94 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 -173.349 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 1.2 m -58.76 149.0 27.58 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 107.307 -1.368 . . . . 0.0 107.307 169.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.0 pp -53.13 -41.83 65.43 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 -168.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -66.13 -33.11 75.03 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.117 0.484 . . . . 0.0 109.811 -177.045 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -77.51 -47.78 18.69 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 -178.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -52.32 -37.04 47.12 Favored Glycine 0 C--N 1.34 0.771 0 CA-C-N 118.541 0.609 . . . . 0.0 112.054 173.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -58.48 -45.46 88.63 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 117.863 0.832 . . . . 0.0 111.743 176.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -64.05 -18.19 64.1 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 123.001 0.52 . . . . 0.0 112.09 -178.469 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.3 mp -94.29 -29.58 14.98 Favored 'General case' 0 C--N 1.341 0.205 0 C-N-CA 124.17 0.988 . . . . 0.0 110.386 173.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -56.22 -39.0 71.82 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 124.873 1.269 . . . . 0.0 111.955 -175.651 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -59.55 -20.34 54.95 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 118.183 -0.913 . . . . 0.0 113.46 178.236 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -114.42 -47.73 2.91 Favored 'General case' 0 C--N 1.345 0.396 0 CA-C-N 120.091 1.314 . . . . 0.0 111.822 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.6 m-30 -91.68 -10.03 41.71 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 124.587 1.155 . . . . 0.0 112.507 -170.13 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -51.7 129.95 34.61 Favored Glycine 0 CA--C 1.529 0.962 0 C-N-CA 125.597 1.57 . . . . 0.0 110.442 175.18 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1602 ' ' LEU . . . . . 0.567 HD22 HD23 ' A' 1534 ' ' LEU . 1.2 mt . . . . . 0 N--CA 1.465 0.29 0 CA-C-N 118.098 0.949 . . . . 0.0 109.473 173.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 77.1 m-85 . . . . . 0 C--O 1.223 -0.292 0 CA-C-O 121.119 0.485 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 6.0 t -61.8 116.74 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 C-N-CA 125.558 1.543 . . . . 0.0 108.738 -172.468 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 110.29 -19.85 26.46 Favored Glycine 0 CA--C 1.53 0.983 0 C-N-CA 124.863 1.22 . . . . 0.0 112.749 179.089 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 10.0 mp -74.89 138.8 42.68 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 118.863 1.331 . . . . 0.0 110.594 -173.399 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 71.0 mtm180 -76.79 125.4 29.21 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 106.124 -1.806 . . . . 0.0 106.124 168.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 18.4 m -145.7 -170.29 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 C-N-CA 125.773 1.629 . . . . 0.0 107.85 -174.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 5.3 t -126.54 149.01 31.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 105.524 -2.028 . . . . 0.0 105.524 170.153 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -146.27 150.73 36.34 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 124.474 1.11 . . . . 0.0 108.56 -169.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 74.4 tttt -83.08 128.21 34.27 Favored 'General case' 0 CA--C 1.508 -0.641 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 178.386 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 42.1 t-105 . . . . . 0 N--CA 1.446 -0.646 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 169.536 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 14.3 m-30 . . . . . 0 C--O 1.236 0.354 0 CA-C-O 121.511 0.672 . . . . 0.0 110.582 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -85.18 109.99 18.69 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 107.078 -1.453 . . . . 0.0 107.078 172.691 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -101.52 149.13 24.4 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 124.539 1.136 . . . . 0.0 108.385 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 7.1 m -71.88 147.55 46.99 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 122.979 0.512 . . . . 0.0 110.257 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -171.26 -176.83 40.64 Favored Glycine 0 CA--C 1.522 0.521 0 CA-C-O 121.663 0.591 . . . . 0.0 112.17 -174.471 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 39.4 mtmt -131.54 128.11 38.6 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 106.265 -1.754 . . . . 0.0 106.265 -171.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 14.2 mt -72.02 134.78 29.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 -179.138 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 49.4 p -109.24 -36.05 6.13 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 122.865 0.466 . . . . 0.0 110.8 -172.023 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -167.78 142.86 3.77 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.953 0.901 . . . . 0.0 111.103 175.206 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 5.9 t0 -70.4 102.35 2.16 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 124.859 1.263 . . . . 0.0 107.672 168.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.5 t -64.0 -50.73 75.93 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 N-CA-C 108.995 -0.742 . . . . 0.0 108.995 -175.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 146.45 163.96 10.7 Favored Glycine 0 C--N 1.337 0.616 0 N-CA-C 109.78 -1.328 . . . . 0.0 109.78 179.164 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 60.08 5.79 0.84 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.265 1.426 . . . . 0.0 114.677 178.586 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 105.76 -6.75 41.29 Favored Glycine 0 C--N 1.34 0.754 0 C-N-CA 124.91 1.243 . . . . 0.0 111.254 -173.198 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -74.85 139.07 42.94 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 120.482 2.141 . . . . 0.0 107.945 169.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -127.91 137.14 52.19 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 105.149 -2.167 . . . . 0.0 105.149 169.714 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -83.7 137.87 33.57 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 176.479 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 2.9 mm? -124.98 118.18 25.67 Favored 'General case' 0 CA--C 1.511 -0.54 0 C-N-CA 124.916 1.286 . . . . 0.0 108.669 -169.696 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 46.5 tp -83.74 94.56 8.18 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 104.402 -2.444 . . . . 0.0 104.402 169.146 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -58.89 154.15 15.77 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 173.55 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -68.85 -21.89 64.25 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.862 -0.524 . . . . 0.0 112.037 -173.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 34.9 p-10 -76.34 0.88 17.87 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.747 1.219 . . . . 0.0 112.438 170.176 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 94.94 -0.91 64.85 Favored Glycine 0 CA--C 1.53 1.026 0 C-N-CA 125.803 1.668 . . . . 0.0 113.818 169.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -75.47 156.64 35.03 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.04 0.92 . . . . 0.0 109.128 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -141.06 118.08 11.2 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 -178.059 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 97.7 m -142.56 164.28 30.54 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 125.228 1.411 . . . . 0.0 107.906 173.232 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -80.6 143.08 33.44 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 170.105 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 79.2 t -140.33 139.67 35.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 106.666 -1.605 . . . . 0.0 106.666 176.697 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 5.8 mt -76.22 150.74 37.02 Favored 'General case' 0 C--O 1.22 -0.451 0 C-N-CA 123.376 0.67 . . . . 0.0 112.012 179.081 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -55.72 -38.11 71.39 Favored Glycine 0 C--N 1.334 0.46 0 C-N-CA 124.559 1.076 . . . . 0.0 112.954 -177.153 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -26.08 64.33 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 118.275 1.037 . . . . 0.0 112.454 176.016 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -97.86 18.36 16.02 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.267 1.427 . . . . 0.0 112.542 -174.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -128.95 136.03 60.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 N-CA-C 106.469 -1.678 . . . . 0.0 106.469 -178.007 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 67.7 mt -117.12 114.32 23.54 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 104.284 -2.488 . . . . 0.0 104.284 -173.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1534 ' ' LEU . . . . . 0.556 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -111.88 -2.87 15.05 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 116.27 1.952 . . . . 0.0 116.27 -169.524 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 24.4 p -130.29 56.21 1.77 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 104.423 -2.436 . . . . 0.0 104.423 179.663 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -98.96 15.75 0.05 OUTLIER Pre-proline 0 CA--C 1.542 0.639 0 N-CA-C 121.034 3.716 . . . . 0.0 121.034 -167.658 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -55.12 117.45 4.04 Favored 'Trans proline' 0 C--N 1.354 0.858 0 CA-C-N 125.177 2.885 . . . . 0.0 106.311 169.405 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 4.7 mm -60.94 125.19 82.91 Favored Pre-proline 0 CA--C 1.54 0.561 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 -168.21 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -62.76 142.11 87.77 Favored 'Trans proline' 0 N--CA 1.456 -0.726 0 C-N-CA 121.918 1.745 . . . . 0.0 110.121 173.051 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1540 ' ' LEU . . . . . 0.476 ' H ' HD12 ' A' 1540 ' ' LEU . 3.9 mp -57.7 148.44 24.65 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 169.613 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 23.1 t70 75.57 -6.07 2.05 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.98 2.112 . . . . 0.0 113.436 -176.463 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 23.0 m -68.96 138.48 54.61 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 169.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -82.86 140.1 33.09 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 107.143 -1.428 . . . . 0.0 107.143 172.195 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 1.7 m -147.24 160.38 8.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 C-N-CA 124.289 1.036 . . . . 0.0 108.739 -174.714 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 3.6 m -89.23 130.86 35.57 Favored 'General case' 0 N--CA 1.441 -0.891 0 N-CA-C 105.251 -2.129 . . . . 0.0 105.251 169.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -96.21 140.42 30.92 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 107.436 -1.32 . . . . 0.0 107.436 170.045 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.39 99.75 4.05 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 -171.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 11.9 m -60.15 121.7 12.57 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 103.968 -2.604 . . . . 0.0 103.968 168.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -45.38 -32.37 2.05 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 125.669 1.587 . . . . 0.0 114.975 -168.251 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 38.8 t70 -67.9 -39.59 83.57 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 117.722 -1.132 . . . . 0.0 113.019 -179.299 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 173.58 -30.38 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.444 1.498 . . . . 0.0 114.757 173.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -54.82 128.86 34.94 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 123.89 0.876 . . . . 0.0 112.035 -168.288 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 2.7 t80 -124.25 127.35 47.55 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 124.897 1.279 . . . . 0.0 111.703 -168.592 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 4.0 p -151.75 177.49 10.34 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.154 1.382 . . . . 0.0 109.291 169.494 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -132.27 156.24 46.87 Favored 'General case' 0 CA--C 1.532 0.275 0 O-C-N 120.621 -1.299 . . . . 0.0 110.995 173.599 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.42 -163.09 23.87 Favored Glycine 0 CA--C 1.525 0.694 0 C-N-CA 126.508 2.004 . . . . 0.0 108.892 -170.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 4.0 t -130.54 142.52 43.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-N 119.127 1.464 . . . . 0.0 109.71 -171.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 85.9 t -66.54 126.17 25.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 173.009 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 87.3 mttt -133.21 21.07 4.04 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.878 0.871 . . . . 0.0 111.422 169.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -178.41 173.64 46.01 Favored Glycine 0 C--N 1.34 0.755 0 O-C-N 121.337 -0.852 . . . . 0.0 112.04 169.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 13.1 m80 -138.85 152.95 48.25 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 126.525 1.93 . . . . 0.0 110.166 -175.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 33.5 ttt85 . . . . . 0 C--O 1.231 0.09 0 N-CA-C 106.886 -1.524 . . . . 0.0 106.886 169.63 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 49.6 tp . . . . . 0 CA--C 1.518 -0.283 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -130.35 157.17 43.28 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 125.743 1.617 . . . . 0.0 109.431 -172.324 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -141.38 132.76 26.7 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 -174.119 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 14.9 t -82.57 106.95 14.84 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 102.202 -3.259 . . . . 0.0 102.202 168.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 25.8 mm -88.9 123.59 41.25 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 N-CA-C 105.418 -2.067 . . . . 0.0 105.418 171.214 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -84.4 118.31 24.17 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 104.047 -2.575 . . . . 0.0 104.047 168.596 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -144.45 135.11 24.79 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 105.405 -2.072 . . . . 0.0 105.405 -169.512 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 50.83 34.18 9.82 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 119.269 0.94 . . . . 0.0 112.066 -170.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 69.69 20.27 75.63 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 119.048 -0.862 . . . . 0.0 113.932 176.093 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -142.19 157.27 45.05 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 118.598 1.199 . . . . 0.0 108.98 178.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -98.11 132.36 43.71 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.635 0.774 . . . . 0.0 109.227 -169.391 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -140.83 128.88 22.04 Favored 'General case' 0 N--CA 1.457 -0.078 0 N-CA-C 106.758 -1.571 . . . . 0.0 106.758 -169.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 92.8 m95 -81.19 124.56 29.38 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 177.665 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -126.24 162.56 25.17 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 169.637 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -107.82 167.09 10.22 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.648 1.179 . . . . 0.0 110.591 -176.239 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -49.38 -44.17 44.73 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 119.905 1.229 . . . . 0.0 113.638 -176.611 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -72.99 -18.33 61.37 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 121.518 1.963 . . . . 0.0 113.934 178.325 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -95.27 -4.3 45.9 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 126.75 2.02 . . . . 0.0 110.825 176.021 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 87.7 t -120.21 90.39 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 N-CA-C 104.269 -2.493 . . . . 0.0 104.269 179.202 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 11.7 pt -110.91 159.17 11.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 106.566 -1.642 . . . . 0.0 106.566 -171.744 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 3.3 mt -103.44 114.24 28.37 Favored 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 -174.575 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.11 145.69 12.86 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 169.742 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.4 pp -53.71 -37.75 63.59 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 114.182 1.178 . . . . 0.0 114.182 -168.403 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 31.2 tp10 -66.78 -37.65 85.0 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 121.647 -0.658 . . . . 0.0 110.146 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -71.51 -49.25 42.82 Favored 'General case' 0 C--O 1.224 -0.246 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 -178.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -63.03 -28.37 71.97 Favored Glycine 0 C--N 1.34 0.765 0 CA-C-O 119.178 -0.79 . . . . 0.0 111.99 -178.734 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -59.84 -43.19 94.73 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 118.832 1.316 . . . . 0.0 111.615 173.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 20.3 mtt-85 -63.56 -16.92 62.15 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.546 0.572 . . . . 0.0 112.546 177.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 9.0 mp -93.99 -29.69 15.1 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 124.288 1.035 . . . . 0.0 110.708 171.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 67.5 ttp85 -57.58 -38.86 75.55 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.578 1.151 . . . . 0.0 111.642 -175.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -58.32 -21.6 49.99 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 118.144 -0.931 . . . . 0.0 113.15 178.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -115.16 -45.98 2.92 Favored 'General case' 0 C--N 1.346 0.43 0 CA-C-N 119.905 1.23 . . . . 0.0 112.243 178.441 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 9.2 m-30 -92.55 -8.68 43.73 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 124.482 1.113 . . . . 0.0 112.777 -169.593 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -53.14 131.34 41.59 Favored Glycine 0 CA--C 1.527 0.827 0 C-N-CA 125.791 1.662 . . . . 0.0 110.881 175.645 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1602 ' ' LEU . . . . . 0.556 HD22 HD23 ' A' 1534 ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.342 0.244 0 CA-C-N 118.497 1.148 . . . . 0.0 109.288 173.496 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 89.5 m-85 . . . . . 0 N--CA 1.466 0.364 0 N-CA-C 113.596 0.961 . . . . 0.0 113.596 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 5.2 t -57.51 113.29 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 C-N-CA 125.457 1.503 . . . . 0.0 108.656 -174.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 117.83 -23.36 9.47 Favored Glycine 0 CA--C 1.533 1.194 0 C-N-CA 125.671 1.605 . . . . 0.0 112.536 178.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 8.8 mp -75.24 139.61 42.68 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 118.904 1.352 . . . . 0.0 111.329 -172.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 49.8 mtp180 -79.52 127.03 31.64 Favored 'General case' 0 CA--C 1.529 0.148 0 N-CA-C 105.166 -2.161 . . . . 0.0 105.166 167.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 18.5 m -143.44 -178.29 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 C-N-CA 125.778 1.631 . . . . 0.0 107.181 -174.681 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 5.0 t -115.52 143.67 24.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 104.945 -2.243 . . . . 0.0 104.945 169.484 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -146.47 153.15 40.1 Favored 'General case' 0 CA--C 1.516 -0.328 0 C-N-CA 123.815 0.846 . . . . 0.0 108.935 -169.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 84.1 tttt -80.74 133.84 35.73 Favored 'General case' 0 CA--C 1.509 -0.601 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 178.433 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 13.6 t-105 . . . . . 0 N--CA 1.447 -0.601 0 N-CA-C 105.258 -2.127 . . . . 0.0 105.258 169.478 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 3.5 m-30 . . . . . 0 N--CA 1.474 0.743 0 CA-C-O 121.198 0.523 . . . . 0.0 110.633 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -111.51 119.77 39.88 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 -169.314 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -116.39 154.09 30.88 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 125.029 1.331 . . . . 0.0 108.549 -172.635 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 5.3 m -65.17 144.19 57.37 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 123.055 0.542 . . . . 0.0 110.742 173.098 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -169.29 178.97 42.18 Favored Glycine 0 N--CA 1.451 -0.344 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 178.554 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -125.34 128.36 48.08 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 125.67 1.588 . . . . 0.0 106.729 -173.226 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 20.4 mt -73.03 128.94 36.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 106.762 -1.57 . . . . 0.0 106.762 -178.634 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 69.5 p -104.6 -36.11 7.6 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 123.027 0.531 . . . . 0.0 110.178 -170.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -167.33 141.67 3.76 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.987 0.915 . . . . 0.0 111.535 176.599 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 7.2 t0 -70.06 103.68 2.35 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 125.06 1.344 . . . . 0.0 107.601 168.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.6 t -65.63 -50.47 71.36 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 C-N-CA 123.631 0.772 . . . . 0.0 109.311 -176.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 149.2 162.94 10.66 Favored Glycine 0 C--N 1.337 0.639 0 N-CA-C 109.65 -1.38 . . . . 0.0 109.65 177.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.61 11.2 0.82 Allowed 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 115.11 1.522 . . . . 0.0 115.11 177.529 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 102.32 -4.94 51.83 Favored Glycine 0 CA--C 1.524 0.632 0 C-N-CA 124.891 1.234 . . . . 0.0 111.545 -176.365 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 11.5 mtpp -75.44 133.99 40.98 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 120.606 2.203 . . . . 0.0 106.49 169.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -124.98 138.76 54.22 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 105.659 -1.978 . . . . 0.0 105.659 169.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -84.37 138.35 32.91 Favored 'General case' 0 CA--C 1.512 -0.506 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 176.532 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.2 mm? -125.65 118.47 25.73 Favored 'General case' 0 CA--C 1.512 -0.494 0 C-N-CA 125.018 1.327 . . . . 0.0 108.945 -169.709 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 41.1 tp -84.1 93.62 8.16 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 105.108 -2.182 . . . . 0.0 105.108 169.311 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -57.52 151.3 17.07 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 123.065 0.546 . . . . 0.0 109.567 174.655 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -69.32 -19.77 63.87 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.555 -171.122 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 38.1 p30 -80.49 2.49 25.08 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.026 1.331 . . . . 0.0 112.493 170.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 102.02 -3.79 52.13 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 125.502 1.525 . . . . 0.0 114.59 169.159 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -82.07 158.6 23.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 118.641 1.22 . . . . 0.0 110.476 -174.5 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -141.04 117.71 10.96 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 -176.033 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 99.5 m -144.68 167.97 21.3 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 126.257 1.823 . . . . 0.0 107.952 174.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -97.86 144.17 27.72 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 123.779 0.832 . . . . 0.0 109.931 177.349 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 86.1 t -144.41 136.16 21.76 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.367 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -170.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.9 mt -72.99 151.59 41.72 Favored 'General case' 0 CA--C 1.511 -0.53 0 C-N-CA 122.941 0.497 . . . . 0.0 111.528 178.46 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -56.67 -33.58 63.1 Favored Glycine 0 CA--C 1.526 0.752 0 C-N-CA 124.013 0.816 . . . . 0.0 112.896 178.434 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.16 -12.97 14.53 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.746 0.819 . . . . 0.0 112.781 174.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -120.77 22.61 11.08 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 126.233 1.813 . . . . 0.0 110.595 -173.558 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -133.1 137.7 53.04 Favored 'Isoleucine or valine' 0 C--N 1.346 0.427 0 N-CA-C 106.86 -1.533 . . . . 0.0 106.86 179.125 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 72.6 mt -119.25 114.09 21.87 Favored 'General case' 0 CA--C 1.52 -0.207 0 N-CA-C 104.481 -2.414 . . . . 0.0 104.481 -176.571 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1534 ' ' LEU . . . . . 0.574 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -109.06 -3.73 17.17 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 116.586 2.069 . . . . 0.0 116.586 -168.754 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 17.2 p -132.21 49.06 2.35 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 106.793 -1.558 . . . . 0.0 106.793 -177.627 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 50.7 t0 -115.76 65.14 2.43 Favored Pre-proline 0 C--O 1.238 0.462 0 N-CA-C 116.351 1.982 . . . . 0.0 116.351 -168.51 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -73.37 123.41 8.68 Favored 'Trans proline' 0 CA--C 1.544 0.981 1 N-CA-C 100.073 -4.626 . . . . 0.0 100.073 165.314 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1538 ' ' ILE . . . . . 0.564 HG21 HG11 ' A' 1544 ' ' VAL . 5.2 mm -59.54 121.0 53.84 Favored Pre-proline 0 CA--C 1.541 0.597 0 CA-C-N 119.506 1.048 . . . . 0.0 109.307 -167.781 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -62.35 145.93 95.81 Favored 'Trans proline' 0 N--CA 1.451 -0.978 0 C-N-CA 121.776 1.651 . . . . 0.0 110.461 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1540 ' ' LEU . . . . . 0.461 ' H ' HD12 ' A' 1540 ' ' LEU . 4.2 mp -60.52 148.45 37.81 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 169.816 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 25.3 t70 73.28 -4.83 2.1 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 127.16 2.184 . . . . 0.0 113.712 -175.05 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 25.0 m -68.72 132.53 46.99 Favored 'General case' 0 C--O 1.238 0.483 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 172.183 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -75.87 136.91 40.14 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 106.985 -1.487 . . . . 0.0 106.985 169.764 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1544 ' ' VAL . . . . . 0.564 HG11 HG21 ' A' 1538 ' ' ILE . 2.6 m -148.55 162.54 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 C-N-CA 124.559 1.144 . . . . 0.0 109.695 -174.591 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 3.5 m -89.13 130.19 35.61 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 105.821 -1.918 . . . . 0.0 105.821 169.607 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -97.07 138.64 34.28 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 171.204 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.4 99.29 3.8 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 123.55 0.74 . . . . 0.0 110.567 -169.828 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 18.4 m -61.93 122.93 16.67 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 104.258 -2.497 . . . . 0.0 104.258 169.057 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -51.63 -23.24 4.09 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 116.19 1.922 . . . . 0.0 116.19 -168.081 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 35.5 t70 -65.77 -53.41 40.79 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 119.259 0.936 . . . . 0.0 110.901 174.123 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -178.8 -20.67 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 169.647 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -53.2 126.37 20.7 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 119.93 1.241 . . . . 0.0 111.551 -169.084 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 11.2 t80 -122.45 128.52 50.98 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 124.339 1.056 . . . . 0.0 111.393 -168.167 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 2.6 p -151.63 176.92 10.88 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.956 1.302 . . . . 0.0 109.208 169.504 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -131.18 153.6 49.26 Favored 'General case' 0 CA--C 1.529 0.172 0 O-C-N 121.194 -0.941 . . . . 0.0 110.484 170.627 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -168.49 -159.65 14.6 Favored Glycine 0 CA--C 1.525 0.678 0 C-N-CA 126.414 1.959 . . . . 0.0 108.38 -169.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.3 t -132.67 142.02 43.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 CA-C-N 118.831 1.315 . . . . 0.0 110.109 -173.124 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 63.8 t -65.54 128.37 28.26 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.145 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 171.38 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 81.4 mttt -130.68 16.51 5.32 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.256 0.935 . . . . 0.0 111.941 169.635 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 179.77 179.74 48.79 Favored Glycine 0 C--N 1.335 0.513 0 O-C-N 121.458 -0.776 . . . . 0.0 111.942 172.11 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 9.0 m80 -141.97 155.65 45.45 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 126.378 1.871 . . . . 0.0 110.948 -173.228 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 56.9 ttt180 . . . . . 0 CA--C 1.526 0.035 0 C-N-CA 125.673 1.589 . . . . 0.0 107.595 170.372 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 37.8 tp . . . . . 0 N--CA 1.444 -0.771 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -124.27 155.76 38.07 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 125.234 1.414 . . . . 0.0 108.903 -173.462 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1570 ' ' TYR . . . . . 0.447 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 62.3 m-85 -140.13 127.43 21.23 Favored 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 106.119 -1.808 . . . . 0.0 106.119 -173.675 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.1 p -85.2 96.77 9.59 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 104.688 -2.338 . . . . 0.0 104.688 169.593 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 40.9 mm -77.41 133.55 30.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 105.865 -1.902 . . . . 0.0 105.865 176.184 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -96.45 129.34 43.83 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 105.227 -2.138 . . . . 0.0 105.227 168.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 25.4 ttpt -144.7 141.17 29.1 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 105.642 -1.984 . . . . 0.0 105.642 178.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 52.45 25.31 3.46 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 119.466 1.03 . . . . 0.0 113.106 -177.66 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 71.2 22.79 78.53 Favored Glycine 0 CA--C 1.531 1.091 0 O-C-N 121.436 -0.79 . . . . 0.0 113.142 -179.131 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -129.33 147.39 51.16 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 173.069 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 82.3 mtm-85 -98.71 136.16 39.17 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 -178.457 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -140.14 130.43 25.21 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 106.342 -1.725 . . . . 0.0 106.342 -169.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 88.5 m95 -80.49 130.72 35.32 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 178.447 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -132.74 161.57 33.68 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.869 1.268 . . . . 0.0 107.756 169.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -105.57 165.85 10.86 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.918 1.287 . . . . 0.0 109.736 -177.213 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 46.0 ttt180 -49.89 -49.33 50.01 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-N 120.327 1.422 . . . . 0.0 112.896 -173.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 3.1 ppp? -70.29 -14.86 62.78 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 120.414 1.461 . . . . 0.0 114.135 -179.445 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -93.79 -2.86 53.05 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 126.227 1.811 . . . . 0.0 110.825 172.038 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 60.7 t -119.79 91.38 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.621 0 N-CA-C 105.796 -1.928 . . . . 0.0 105.796 177.085 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 8.2 pt -112.84 168.13 5.53 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 -172.064 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 5.1 mt -121.07 124.5 44.94 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 -171.457 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 5.0 m -61.38 148.12 42.61 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 106.507 -1.664 . . . . 0.0 106.507 169.356 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.7 pp -55.79 -37.61 68.81 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.467 -0.771 . . . . 0.0 112.702 -169.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -77.41 -23.52 50.62 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 121.633 -0.667 . . . . 0.0 110.745 -175.443 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -71.65 -49.29 41.25 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 107.159 -1.423 . . . . 0.0 107.159 170.382 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -63.22 -29.25 73.89 Favored Glycine 0 C--N 1.339 0.744 0 C-N-CA 123.789 0.709 . . . . 0.0 112.681 -177.182 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -58.03 -41.44 83.18 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 118.691 1.245 . . . . 0.0 111.39 175.112 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -58.61 -26.15 63.38 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 118.952 0.796 . . . . 0.0 112.022 177.163 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 7.5 mp -91.43 -28.32 17.72 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 124.405 1.082 . . . . 0.0 110.535 178.014 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -56.6 -41.35 76.86 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.954 1.302 . . . . 0.0 110.488 -175.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -59.47 -18.29 38.53 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.939 1.088 . . . . 0.0 113.939 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -115.16 -48.61 2.81 Favored 'General case' 0 C--N 1.345 0.412 0 CA-C-N 120.272 1.396 . . . . 0.0 112.177 176.575 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -92.39 -10.94 36.3 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 124.593 1.157 . . . . 0.0 112.176 -170.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -54.17 131.07 45.05 Favored Glycine 0 CA--C 1.522 0.491 0 C-N-CA 125.444 1.497 . . . . 0.0 110.105 177.135 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1602 ' ' LEU . . . . . 0.574 HD22 HD23 ' A' 1534 ' ' LEU . 0.4 OUTLIER . . . . . 0 C--O 1.233 0.194 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 171.139 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 93.4 m-85 . . . . . 0 N--CA 1.466 0.359 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 5.2 t -57.36 114.71 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 C-N-CA 125.272 1.429 . . . . 0.0 108.988 -175.542 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 113.86 -18.26 19.51 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 125.315 1.436 . . . . 0.0 112.845 178.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 10.1 mp -77.31 138.79 39.57 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 118.831 1.316 . . . . 0.0 110.792 -173.561 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 57.0 mtm180 -78.65 126.64 31.02 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 105.482 -2.044 . . . . 0.0 105.482 168.501 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 17.1 m -145.55 -176.74 0.64 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.397 0 C-N-CA 125.091 1.356 . . . . 0.0 107.465 -173.693 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 3.4 t -118.4 144.71 25.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 105.419 -2.067 . . . . 0.0 105.419 169.674 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -146.5 152.16 38.55 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.178 0.991 . . . . 0.0 109.142 -169.543 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 79.7 tttt -82.21 131.07 35.23 Favored 'General case' 0 CA--C 1.513 -0.453 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 178.379 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 26.5 t-105 . . . . . 0 N--CA 1.45 -0.431 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 169.318 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A 1500 ' ' TYR . . . . . 0.441 ' CG ' ' HA ' ' A' 1589 ' ' SER . 13.4 m-30 . . . . . 0 C--O 1.234 0.269 0 CA-C-O 121.502 0.668 . . . . 0.0 110.597 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 2.8 m-30 -92.84 108.9 20.35 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.447 -1.686 . . . . 0.0 106.447 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -101.65 155.92 17.81 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.892 1.277 . . . . 0.0 107.729 -178.527 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 6.0 m -71.33 148.96 46.56 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 121.55 -0.719 . . . . 0.0 111.334 176.271 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -165.39 -179.45 39.19 Favored Glycine 0 C--N 1.333 0.397 0 N-CA-C 112.164 -0.375 . . . . 0.0 112.164 174.182 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.97 135.89 53.55 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 106.2 -1.778 . . . . 0.0 106.2 175.073 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 17.8 mt -72.87 132.08 33.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 175.034 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 72.6 p -107.46 -36.79 6.39 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 123.106 0.562 . . . . 0.0 110.637 -171.354 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -165.45 141.07 5.19 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 123.894 0.878 . . . . 0.0 111.265 175.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 7.0 t0 -69.36 103.91 2.12 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 125.014 1.326 . . . . 0.0 107.802 168.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.4 t -66.4 -50.28 68.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 -176.619 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 146.32 164.47 10.97 Favored Glycine 0 C--N 1.34 0.798 0 N-CA-C 109.714 -1.354 . . . . 0.0 109.714 178.47 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 59.1 7.15 0.79 Allowed 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 177.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 105.27 -6.86 42.95 Favored Glycine 0 C--N 1.338 0.646 0 C-N-CA 124.412 1.006 . . . . 0.0 111.205 -173.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 42.3 mtmt -75.69 136.69 40.37 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 120.468 2.134 . . . . 0.0 107.41 169.716 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -127.33 137.26 52.76 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 105.099 -2.186 . . . . 0.0 105.099 169.703 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -82.93 139.25 33.48 Favored 'General case' 0 CA--C 1.51 -0.565 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 176.604 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 2.9 mm? -125.12 119.85 29.76 Favored 'General case' 0 CA--C 1.51 -0.585 0 C-N-CA 124.961 1.304 . . . . 0.0 108.659 -169.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 32.1 tp -84.38 95.88 8.89 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 103.835 -2.654 . . . . 0.0 103.835 169.292 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -58.9 144.47 44.53 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 171.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -65.86 -19.16 65.78 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -170.302 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -79.33 -0.1 31.15 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.974 1.309 . . . . 0.0 113.649 173.669 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 108.99 -3.69 31.76 Favored Glycine 0 CA--C 1.531 1.064 0 C-N-CA 125.495 1.521 . . . . 0.0 114.2 169.347 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -85.65 157.74 20.26 Favored 'General case' 0 CA--C 1.528 0.106 0 CA-C-N 118.165 0.982 . . . . 0.0 110.112 -173.267 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -141.37 121.62 13.91 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 -178.274 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 57.4 m -147.86 167.81 23.82 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.501 1.521 . . . . 0.0 107.986 171.381 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -85.87 143.12 28.41 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 175.057 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 91.2 t -141.14 137.83 33.8 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 N-CA-C 107.613 -1.254 . . . . 0.0 107.613 -179.505 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 7.0 mt -77.55 152.65 33.93 Favored 'General case' 0 CA--C 1.512 -0.509 0 C-N-CA 123.31 0.644 . . . . 0.0 111.889 179.601 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -56.72 -37.13 75.18 Favored Glycine 0 CA--C 1.522 0.52 0 C-N-CA 123.918 0.771 . . . . 0.0 113.171 -178.491 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -8.0 18.12 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 175.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -116.22 22.29 13.0 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.658 1.583 . . . . 0.0 111.725 -179.206 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -133.82 139.43 48.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 179.357 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 72.7 mt -120.32 115.36 23.4 Favored 'General case' 0 CA--C 1.52 -0.196 0 N-CA-C 104.756 -2.313 . . . . 0.0 104.756 -177.324 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1534 ' ' LEU . . . . . 0.542 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -109.16 -3.14 17.53 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 116.633 2.086 . . . . 0.0 116.633 -168.891 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 23.9 p -135.63 50.07 2.13 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 106.195 -1.779 . . . . 0.0 106.195 -177.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 48.5 t0 -114.54 57.59 0.92 Allowed Pre-proline 0 CA--C 1.541 0.599 0 N-CA-C 115.81 1.781 . . . . 0.0 115.81 -168.695 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -68.1 121.57 8.58 Favored 'Trans proline' 0 CA--C 1.543 0.93 1 N-CA-C 100.626 -4.413 . . . . 0.0 100.626 166.347 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 5.0 mm -59.56 122.64 66.1 Favored Pre-proline 0 CA--C 1.54 0.558 0 CA-C-N 118.886 0.766 . . . . 0.0 109.091 -167.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -61.43 144.8 98.4 Favored 'Trans proline' 0 N--CA 1.452 -0.939 0 C-N-CA 121.801 1.667 . . . . 0.0 110.637 177.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1540 ' ' LEU . . . . . 0.478 ' H ' HD12 ' A' 1540 ' ' LEU . 3.9 mp -59.89 148.58 34.39 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 169.831 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 22.2 t70 74.91 -5.31 2.18 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.878 2.071 . . . . 0.0 113.638 -175.576 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 22.0 m -70.17 134.61 48.28 Favored 'General case' 0 C--O 1.238 0.455 0 O-C-N 120.87 -1.144 . . . . 0.0 108.199 170.524 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -76.15 138.3 40.63 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 170.554 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 1.2 m -147.61 160.06 8.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 124.768 1.227 . . . . 0.0 109.898 -175.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 3.1 m -89.34 131.02 35.62 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 105.505 -2.035 . . . . 0.0 105.505 169.391 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -97.22 140.4 31.76 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 171.351 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.31 98.76 3.68 Favored 'General case' 0 CA--C 1.519 -0.238 0 C-N-CA 123.697 0.799 . . . . 0.0 109.601 -170.198 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 11.1 m -61.47 121.94 13.95 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 105.094 -2.187 . . . . 0.0 105.094 169.361 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -45.77 -33.49 3.1 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 126.139 1.775 . . . . 0.0 114.954 -168.651 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 38.9 t70 -64.09 -47.46 79.98 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 118.268 -0.872 . . . . 0.0 111.316 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 177.68 -24.27 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.429 1.492 . . . . 0.0 114.879 170.011 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -53.71 127.57 26.19 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 119.337 0.972 . . . . 0.0 111.996 -168.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 9.3 t80 -120.94 127.95 52.3 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 124.922 1.289 . . . . 0.0 110.604 -168.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 1.6 p -152.27 177.38 10.62 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.543 1.537 . . . . 0.0 109.058 173.629 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -136.58 159.23 42.44 Favored 'General case' 0 N--CA 1.468 0.454 0 O-C-N 120.474 -1.391 . . . . 0.0 111.321 173.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -171.51 -159.02 16.74 Favored Glycine 0 CA--C 1.528 0.866 0 C-N-CA 126.075 1.797 . . . . 0.0 108.688 -172.741 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.2 t -131.59 143.27 40.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-N 118.577 1.189 . . . . 0.0 109.277 -175.39 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 84.6 t -65.44 126.12 23.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 N-CA-C 108.515 -0.921 . . . . 0.0 108.515 173.488 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 82.5 mttt -132.05 21.18 4.5 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 119.368 0.985 . . . . 0.0 112.098 170.285 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 179.2 176.97 47.35 Favored Glycine 0 C--N 1.336 0.576 0 O-C-N 121.519 -0.738 . . . . 0.0 111.432 169.689 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 9.8 m80 -141.81 154.32 45.12 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 126.669 1.988 . . . . 0.0 110.861 -172.637 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 54.6 ttt180 . . . . . 0 N--CA 1.461 0.098 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 170.01 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 33.0 tp . . . . . 0 N--CA 1.452 -0.35 0 CA-C-O 121.06 0.457 . . . . 0.0 109.781 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -127.54 157.35 40.39 Favored 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 125.84 1.656 . . . . 0.0 109.139 -174.056 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -141.61 134.1 28.27 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 106.786 -1.561 . . . . 0.0 106.786 -174.008 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.44 97.71 11.02 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 104.565 -2.384 . . . . 0.0 104.565 169.569 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 36.5 mm -77.84 129.35 37.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 106.401 -1.703 . . . . 0.0 106.401 178.306 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -83.58 119.12 24.33 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 103.092 -2.929 . . . . 0.0 103.092 168.004 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 24.3 ttpt -141.68 135.69 30.13 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 105.011 -2.218 . . . . 0.0 105.011 -172.602 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 54.58 27.04 7.95 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 123.203 0.601 . . . . 0.0 111.841 -173.494 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 79.42 14.61 81.22 Favored Glycine 0 CA--C 1.533 1.161 0 CA-C-O 119.128 -0.818 . . . . 0.0 113.444 175.712 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -142.39 154.45 44.63 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 118.547 1.174 . . . . 0.0 109.594 179.486 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -81.0 141.27 34.58 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 121.341 -0.85 . . . . 0.0 109.207 -175.551 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -142.96 129.45 20.12 Favored 'General case' 0 C--O 1.226 -0.142 0 N-CA-C 106.046 -1.835 . . . . 0.0 106.046 -178.458 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 89.1 m95 -80.59 132.02 35.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 118.936 0.789 . . . . 0.0 109.95 178.1 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -134.57 166.6 22.53 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.332 1.453 . . . . 0.0 107.852 169.678 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -109.82 165.16 11.92 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.871 1.268 . . . . 0.0 109.875 -177.195 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 65.8 ttp85 -42.85 -55.53 3.65 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.642 1.177 . . . . 0.0 113.625 -178.191 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 2.1 ppp? -71.88 -15.11 62.11 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 120.217 1.371 . . . . 0.0 114.058 -178.17 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -92.08 -2.14 56.81 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 125.873 1.669 . . . . 0.0 110.9 171.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 89.7 t -120.95 90.15 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.757 0 N-CA-C 105.282 -2.118 . . . . 0.0 105.282 176.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 9.2 pt -107.92 163.61 5.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 -172.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 10.8 mt -115.39 118.82 34.3 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 106.789 -1.56 . . . . 0.0 106.789 -174.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1589 ' ' SER . . . . . 0.441 ' HA ' ' CG ' ' A' 1500 ' ' TYR . 3.4 m -55.96 148.52 17.14 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 169.184 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.3 pp -53.2 -38.32 62.75 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 -168.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 24.3 tp10 -70.29 -40.78 74.08 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 118.993 0.815 . . . . 0.0 109.823 179.417 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -58.73 -46.31 87.66 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 176.219 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -66.25 -35.2 90.03 Favored Glycine 0 CA--C 1.525 0.711 0 C-N-CA 123.55 0.595 . . . . 0.0 112.413 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -58.35 -35.53 72.07 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 118.67 1.235 . . . . 0.0 110.431 174.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 -58.76 -17.86 26.79 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 118.715 0.689 . . . . 0.0 112.603 178.081 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 1.7 mp -110.88 -18.07 13.18 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 124.501 1.12 . . . . 0.0 111.635 178.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -56.17 -38.87 71.5 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.086 0.954 . . . . 0.0 110.272 178.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -56.26 -23.31 35.44 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 117.749 -1.12 . . . . 0.0 113.681 178.118 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -115.69 -47.26 2.81 Favored 'General case' 0 C--N 1.349 0.548 0 CA-C-N 120.307 1.412 . . . . 0.0 112.484 177.399 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.0 m-30 -94.02 -7.76 41.8 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 124.348 1.059 . . . . 0.0 112.623 -169.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -54.04 129.97 43.21 Favored Glycine 0 N--CA 1.445 -0.751 0 N-CA-C 109.76 -1.336 . . . . 0.0 109.76 175.508 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1602 ' ' LEU . . . . . 0.542 HD22 HD23 ' A' 1534 ' ' LEU . 0.4 OUTLIER . . . . . 0 C--O 1.235 0.319 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 170.787 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 96.6 m-85 . . . . . 0 N--CA 1.466 0.372 0 N-CA-C 113.99 1.108 . . . . 0.0 113.99 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 21.4 t -58.21 112.28 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 C-N-CA 125.164 1.386 . . . . 0.0 109.307 -175.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 119.53 -24.32 8.11 Favored Glycine 0 CA--C 1.53 0.969 0 C-N-CA 125.1 1.333 . . . . 0.0 112.81 -179.366 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 10.2 mp -74.62 138.94 43.28 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 118.641 1.221 . . . . 0.0 110.751 -173.283 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -79.78 126.83 31.47 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 105.318 -2.104 . . . . 0.0 105.318 168.499 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 17.7 m -143.83 -171.46 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 C-N-CA 125.906 1.683 . . . . 0.0 107.905 -174.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1492 ' ' VAL . . . . . 0.408 HG12 ' HB3' ' A' 1501 ' ' PHE . 4.1 t -123.88 146.12 29.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 105.464 -2.05 . . . . 0.0 105.464 169.517 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -145.14 151.62 38.76 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 124.664 1.185 . . . . 0.0 108.7 -170.149 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 70.7 tttt -83.26 129.0 34.97 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -178.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 19.6 t-105 . . . . . 0 N--CA 1.445 -0.708 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 168.913 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 12.8 m-30 . . . . . 0 C--O 1.236 0.346 0 CA-C-O 121.266 0.555 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A 1501 ' ' PHE . . . . . 0.408 ' HB3' HG12 ' A' 1492 ' ' VAL . 97.1 m-85 -85.69 111.16 19.84 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 174.327 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -101.2 149.04 24.4 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.93 1.292 . . . . 0.0 109.037 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 3.8 m -71.95 147.74 46.68 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.289 0.636 . . . . 0.0 109.998 178.505 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -174.2 -175.68 42.0 Favored Glycine 0 C--N 1.333 0.38 0 O-C-N 121.722 -0.612 . . . . 0.0 111.965 -175.241 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -128.7 129.93 46.46 Favored 'General case' 0 CA--C 1.511 -0.533 0 C-N-CA 126.082 1.753 . . . . 0.0 106.825 -172.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 11.9 mt -71.47 133.24 32.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 177.721 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 42.6 p -109.44 -30.28 8.02 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 123.433 0.693 . . . . 0.0 109.648 -173.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 18.3 ttt-85 -167.48 154.16 8.19 Favored 'General case' 0 CA--C 1.517 -0.311 0 C-N-CA 123.199 0.6 . . . . 0.0 112.016 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 9.9 t70 -84.11 109.71 17.91 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 102.094 -3.299 . . . . 0.0 102.094 166.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.8 t -69.12 -50.17 55.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 -178.467 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 155.63 160.45 9.97 Favored Glycine 0 C--N 1.339 0.748 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 175.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.46 11.24 0.8 Allowed 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 115.788 1.773 . . . . 0.0 115.788 173.584 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 110.12 -7.83 31.03 Favored Glycine 0 C--N 1.337 0.585 0 C-N-CA 124.68 1.133 . . . . 0.0 111.105 -177.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.57 140.73 44.61 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 119.974 1.887 . . . . 0.0 107.164 169.582 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -129.22 136.53 50.24 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 105.503 -2.036 . . . . 0.0 105.503 169.638 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 29.7 ttpt -83.77 137.17 33.86 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 175.436 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 2.8 mm? -124.35 118.53 26.94 Favored 'General case' 0 CA--C 1.512 -0.501 0 C-N-CA 124.812 1.245 . . . . 0.0 108.394 -169.593 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 36.4 tp -83.91 93.89 8.13 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 104.267 -2.494 . . . . 0.0 104.267 169.09 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -55.83 148.62 16.39 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 172.174 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -65.53 -17.98 64.97 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -169.75 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 32.2 p-10 -84.71 -0.08 52.33 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.597 1.559 . . . . 0.0 113.2 173.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 105.88 -2.48 38.6 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 125.12 1.343 . . . . 0.0 114.227 169.623 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -81.45 154.71 26.22 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.323 1.062 . . . . 0.0 109.64 -176.314 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -140.98 118.19 11.32 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 -175.338 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 60.0 m -144.41 161.45 38.98 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.09 1.356 . . . . 0.0 108.036 176.636 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -79.7 144.36 33.76 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 171.103 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 81.6 t -142.24 139.96 29.51 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.242 0 C-N-CA 124.684 1.194 . . . . 0.0 107.875 177.443 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 5.2 mt -77.66 149.78 34.65 Favored 'General case' 0 CA--C 1.513 -0.459 0 O-C-N 121.535 -0.728 . . . . 0.0 112.437 178.175 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -55.11 -37.09 62.68 Favored Glycine 0 C--N 1.332 0.321 0 C-N-CA 124.123 0.868 . . . . 0.0 113.826 -177.404 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.47 -22.29 64.94 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 118.874 1.337 . . . . 0.0 112.846 176.668 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -99.65 18.77 17.23 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.459 1.504 . . . . 0.0 111.964 -175.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 1.2 mt -128.51 136.74 59.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 N-CA-C 107.405 -1.332 . . . . 0.0 107.405 -178.555 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 65.4 mt -119.43 112.02 18.88 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 104.36 -2.459 . . . . 0.0 104.36 -173.13 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1534 ' ' LEU . . . . . 0.54 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -109.74 -3.3 16.84 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 116.799 2.148 . . . . 0.0 116.799 -169.086 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 24.7 p -128.84 56.21 1.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 104.828 -2.286 . . . . 0.0 104.828 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -98.22 16.71 0.05 OUTLIER Pre-proline 0 CA--C 1.544 0.721 0 N-CA-C 121.301 3.815 . . . . 0.0 121.301 -167.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -56.48 115.62 2.61 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 CA-C-N 125.256 2.913 . . . . 0.0 105.857 168.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 15.7 mm -60.85 123.31 74.38 Favored Pre-proline 0 CA--C 1.534 0.365 0 CA-C-O 118.491 -0.766 . . . . 0.0 109.679 -167.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -64.4 141.69 75.6 Favored 'Trans proline' 0 N--CA 1.454 -0.801 0 C-N-CA 121.764 1.643 . . . . 0.0 109.962 174.491 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1540 ' ' LEU . . . . . 0.424 ' H ' HD12 ' A' 1540 ' ' LEU . 4.8 mp -58.6 149.03 26.8 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 177.063 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 4.7 t70 77.0 -5.77 2.13 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 126.896 2.079 . . . . 0.0 113.435 -176.746 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 28.7 m -67.32 139.67 57.25 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 169.703 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -87.47 139.08 30.91 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 106.696 -1.594 . . . . 0.0 106.696 174.17 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 1.6 m -147.48 161.52 7.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 C-N-CA 124.499 1.12 . . . . 0.0 108.518 -170.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 8.5 m -89.59 140.48 29.51 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 105.987 -1.857 . . . . 0.0 105.987 169.677 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -113.37 141.17 47.37 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 106.738 -1.578 . . . . 0.0 106.738 174.354 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 3.7 mt -138.7 108.04 6.13 Favored 'General case' 0 CA--C 1.513 -0.443 0 C-N-CA 124.283 1.033 . . . . 0.0 108.524 -174.48 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 2.4 m -65.97 156.48 33.49 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 106.281 -1.748 . . . . 0.0 106.281 168.299 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -67.09 14.13 0.05 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.896 1.678 . . . . 0.0 114.755 -169.423 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 22.8 t0 -143.12 54.06 1.36 Allowed 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.583 1.553 . . . . 0.0 109.724 178.206 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1551 ' ' GLU . . . . . . . . . . . . 0.276 7.5 pt-20 54.94 22.4 4.3 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 117.126 2.269 . . . . 0.0 117.126 174.01 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -76.64 77.63 3.3 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 169.404 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 8.6 t80 -66.03 131.07 45.34 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 125.387 1.475 . . . . 0.0 110.146 170.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 4.6 p -152.39 177.37 10.67 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.005 1.722 . . . . 0.0 108.551 169.391 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -139.8 155.7 47.13 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 120.434 1.47 . . . . 0.0 111.152 172.305 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.43 -162.24 22.41 Favored Glycine 0 CA--C 1.53 0.998 0 C-N-CA 126.22 1.867 . . . . 0.0 108.784 -172.483 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.3 t -129.69 143.54 40.79 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.364 0 CA-C-N 118.599 1.2 . . . . 0.0 109.207 -173.067 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 99.1 t -66.33 126.02 24.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 172.707 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -127.57 13.46 7.0 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 118.902 0.774 . . . . 0.0 111.122 170.337 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 178.91 -179.91 48.77 Favored Glycine 0 C--N 1.337 0.603 0 CA-C-N 118.762 0.71 . . . . 0.0 112.353 173.403 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 13.2 m80 -141.44 154.37 45.54 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 126.652 1.981 . . . . 0.0 110.621 -172.316 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 . . . . . 0 N--CA 1.461 0.081 0 C-N-CA 125.538 1.535 . . . . 0.0 107.521 169.977 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 52.1 tp . . . . . 0 N--CA 1.445 -0.681 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -124.9 156.55 37.75 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 124.909 1.284 . . . . 0.0 108.784 -174.07 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -138.09 129.6 27.9 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 106.419 -1.697 . . . . 0.0 106.419 -176.679 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.2 p -85.49 96.66 9.68 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 104.82 -2.289 . . . . 0.0 104.82 169.733 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 40.8 mm -79.21 127.59 38.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 N-CA-C 106.315 -1.735 . . . . 0.0 106.315 178.684 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -84.26 120.91 26.79 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 103.64 -2.726 . . . . 0.0 103.64 168.341 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 24.1 ttpt -143.51 133.28 23.85 Favored 'General case' 0 CA--C 1.509 -0.601 0 N-CA-C 104.396 -2.446 . . . . 0.0 104.396 -170.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 56.73 24.29 8.86 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 118.511 0.596 . . . . 0.0 112.101 -175.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 77.95 17.94 77.68 Favored Glycine 0 C--N 1.345 1.074 0 O-C-N 121.397 -0.814 . . . . 0.0 113.003 176.7 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -141.62 161.24 38.42 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 125.113 1.365 . . . . 0.0 108.222 177.598 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -105.02 138.92 40.47 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 119.717 1.144 . . . . 0.0 110.069 -169.679 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -142.55 132.98 24.98 Favored 'General case' 0 CA--C 1.523 -0.093 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 -169.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 90.0 m95 -81.04 130.49 35.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 118.593 0.633 . . . . 0.0 109.811 177.416 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -132.19 159.6 38.52 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 169.534 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -100.78 164.61 11.77 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.575 1.15 . . . . 0.0 110.312 -176.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -50.22 -45.13 53.59 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.703 1.138 . . . . 0.0 113.095 -177.423 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -71.08 -23.45 62.12 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 121.215 1.825 . . . . 0.0 112.938 178.26 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -81.65 -15.39 54.73 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 118.569 -0.729 . . . . 0.0 111.027 175.165 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 84.6 t -111.68 91.95 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 N-CA-C 105.891 -1.892 . . . . 0.0 105.891 -174.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 9.8 pt -107.64 164.89 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 -175.019 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 3.9 mt -107.69 116.01 31.17 Favored 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 106.399 -1.704 . . . . 0.0 106.399 -178.184 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.62 148.89 8.87 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 107.246 -1.39 . . . . 0.0 107.246 169.462 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.6 pp -55.43 -35.8 65.81 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 119.424 1.011 . . . . 0.0 113.111 -168.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 30.8 tp10 -66.23 -39.67 89.74 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 121.654 -0.654 . . . . 0.0 110.515 178.683 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -66.37 -52.05 50.89 Favored 'General case' 0 C--O 1.226 -0.157 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 178.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -61.99 -28.63 70.74 Favored Glycine 0 C--N 1.339 0.735 0 CA-C-O 119.145 -0.808 . . . . 0.0 111.728 -175.456 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -60.45 -45.36 93.98 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 118.796 1.298 . . . . 0.0 111.486 174.247 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 22.4 mtt-85 -62.57 -17.83 60.85 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 122.916 0.486 . . . . 0.0 112.159 177.73 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 10.1 mp -93.68 -29.7 15.29 Favored 'General case' 0 C--O 1.224 -0.283 0 C-N-CA 123.787 0.835 . . . . 0.0 110.975 172.531 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 64.9 ttp85 -57.72 -38.19 74.86 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 119.935 1.243 . . . . 0.0 111.733 -174.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -57.64 -22.87 48.2 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 118.245 -0.884 . . . . 0.0 112.908 178.245 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -114.89 -45.68 2.96 Favored 'General case' 0 C--N 1.346 0.444 0 CA-C-N 119.538 1.063 . . . . 0.0 112.634 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 7.3 m-30 -92.71 -8.92 42.54 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 124.239 1.016 . . . . 0.0 112.328 -169.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -56.31 130.27 49.36 Favored Glycine 0 CA--C 1.526 0.745 0 C-N-CA 125.233 1.397 . . . . 0.0 110.805 179.021 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1602 ' ' LEU . . . . . 0.54 HD22 HD23 ' A' 1534 ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.468 0.461 0 CA-C-N 118.367 1.083 . . . . 0.0 108.851 174.083 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 83.4 m-85 . . . . . 0 C--O 1.224 -0.258 0 CA-C-O 120.807 0.337 . . . . 0.0 110.143 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 17.7 t -59.81 115.93 1.43 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 C-N-CA 124.264 1.026 . . . . 0.0 108.654 -174.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 116.84 -24.61 9.41 Favored Glycine 0 CA--C 1.531 1.044 0 C-N-CA 124.832 1.206 . . . . 0.0 112.119 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 9.7 mp -73.35 138.56 45.43 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 118.829 1.315 . . . . 0.0 110.998 -174.158 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 75.2 mtt85 -80.52 126.32 31.08 Favored 'General case' 0 N--CA 1.462 0.157 0 N-CA-C 105.307 -2.109 . . . . 0.0 105.307 168.629 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 18.6 m -144.63 -172.19 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 C-N-CA 125.535 1.534 . . . . 0.0 107.739 -172.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.8 t -121.55 147.75 25.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 105.965 -1.865 . . . . 0.0 105.965 170.026 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -145.59 150.1 35.75 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 124.512 1.125 . . . . 0.0 108.557 -172.009 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 74.7 tttt -81.99 134.15 35.35 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 107.605 -1.258 . . . . 0.0 107.605 177.715 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 18.8 t-105 . . . . . 0 N--CA 1.441 -0.907 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 169.148 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A 1500 ' ' TYR . . . . . 0.419 ' CG ' ' HA ' ' A' 1589 ' ' SER . 7.7 m-30 . . . . . 0 C--O 1.234 0.256 0 CA-C-O 121.536 0.684 . . . . 0.0 110.435 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -96.95 108.65 21.41 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 106.198 -1.779 . . . . 0.0 106.198 -178.312 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -105.43 151.43 24.25 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 125.034 1.334 . . . . 0.0 108.963 -174.566 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 4.2 m -67.42 145.54 54.92 Favored 'General case' 0 CA--C 1.534 0.365 0 O-C-N 121.788 -0.57 . . . . 0.0 110.501 176.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -167.02 179.04 40.99 Favored Glycine 0 C--O 1.226 -0.358 0 N-CA-C 111.824 -0.511 . . . . 0.0 111.824 177.631 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -123.08 129.8 51.94 Favored 'General case' 0 CA--C 1.512 -0.508 0 N-CA-C 106.234 -1.765 . . . . 0.0 106.234 -176.032 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 13.8 mt -71.08 133.03 32.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 179.425 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 35.7 p -109.21 -28.7 8.88 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 123.512 0.725 . . . . 0.0 109.656 -174.297 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 20.9 ttt-85 -167.79 154.8 8.18 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.124 178.458 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 4.0 t70 -85.6 106.04 16.62 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 102.076 -3.305 . . . . 0.0 102.076 167.015 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.6 t -67.19 -49.11 75.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 -178.384 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 144.63 169.12 13.05 Favored Glycine 0 C--N 1.335 0.528 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 175.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 57.4 8.94 0.66 Allowed 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 178.249 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 106.25 -8.38 41.37 Favored Glycine 0 CA--C 1.524 0.598 0 C-N-CA 125.59 1.566 . . . . 0.0 111.231 -176.451 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 30.3 mtpt -75.23 138.42 41.9 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 119.593 1.696 . . . . 0.0 108.23 172.387 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -127.39 137.6 52.79 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 105.626 -1.99 . . . . 0.0 105.626 169.69 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -85.09 137.79 32.82 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 176.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.2 mm? -125.33 119.05 27.29 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 125.007 1.323 . . . . 0.0 108.75 -169.529 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 40.1 tp -84.04 93.21 8.04 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 104.916 -2.253 . . . . 0.0 104.916 168.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -56.23 148.59 18.01 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 173.613 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -66.21 -18.86 65.61 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -169.69 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 26.7 p-10 -84.0 3.65 33.39 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.55 1.14 . . . . 0.0 113.112 172.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 103.09 -1.62 47.53 Favored Glycine 0 CA--C 1.531 1.051 0 C-N-CA 125.158 1.361 . . . . 0.0 114.54 169.111 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -80.73 157.36 25.87 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 118.283 1.041 . . . . 0.0 109.669 -177.096 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -140.92 120.56 13.32 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -177.484 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 89.4 m -147.18 167.22 24.73 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.935 1.694 . . . . 0.0 107.877 172.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -91.07 144.06 26.04 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 124.242 1.017 . . . . 0.0 109.464 175.599 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 90.1 t -143.37 139.71 26.47 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.23 0 N-CA-C 107.332 -1.358 . . . . 0.0 107.332 -176.491 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 7.2 mt -78.38 152.26 32.36 Favored 'General case' 0 CA--C 1.513 -0.475 0 O-C-N 121.823 -0.548 . . . . 0.0 112.3 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -52.17 -40.38 51.92 Favored Glycine 0 CA--C 1.523 0.549 0 C-N-CA 124.986 1.279 . . . . 0.0 113.613 -179.327 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1530 ' ' LYS . . . . . . . . . . . . 0.254 0.0 OUTLIER -64.59 -14.11 56.29 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 118.851 1.325 . . . . 0.0 113.129 178.715 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -110.17 20.28 18.04 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.948 1.699 . . . . 0.0 111.561 -176.591 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -131.03 132.12 63.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 N-CA-C 106.128 -1.804 . . . . 0.0 106.128 178.694 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 8.1 mp -117.49 118.03 31.06 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 103.979 -2.6 . . . . 0.0 103.979 -174.036 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1534 ' ' LEU . . . . . 0.53 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -112.59 -2.38 14.6 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 117.194 2.294 . . . . 0.0 117.194 -168.693 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 25.2 p -130.1 52.69 1.99 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 105.086 -2.19 . . . . 0.0 105.086 -179.189 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -99.42 16.56 0.05 OUTLIER Pre-proline 0 CA--C 1.544 0.724 0 N-CA-C 121.709 3.966 . . . . 0.0 121.709 -167.604 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -54.91 118.97 5.74 Favored 'Trans proline' 0 CA--C 1.542 0.88 0 CA-C-N 125.264 2.916 . . . . 0.0 106.067 169.249 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 7.4 mm -60.55 123.99 76.59 Favored Pre-proline 0 CA--C 1.536 0.44 0 CA-C-O 118.395 -0.812 . . . . 0.0 109.771 -167.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -63.84 139.98 71.19 Favored 'Trans proline' 0 N--CA 1.452 -0.959 0 C-N-CA 121.976 1.784 . . . . 0.0 110.355 172.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 4.0 mp -55.41 148.62 14.82 Favored 'General case' 0 CA--C 1.532 0.281 0 O-C-N 121.786 -0.571 . . . . 0.0 109.771 172.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 6.4 t70 75.22 -4.73 2.31 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 127.229 2.212 . . . . 0.0 113.259 -177.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 28.5 m -69.0 138.35 54.45 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 108.428 -0.952 . . . . 0.0 108.428 170.043 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -79.01 137.08 37.41 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 171.634 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 1.9 m -145.15 164.58 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 C-N-CA 124.434 1.094 . . . . 0.0 109.39 -176.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 15.5 m -90.18 139.87 30.22 Favored 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 105.654 -1.98 . . . . 0.0 105.654 169.105 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -116.23 138.7 51.07 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 107.132 -1.433 . . . . 0.0 107.132 175.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.05 110.96 7.22 Favored 'General case' 0 CA--C 1.514 -0.438 0 C-N-CA 123.293 0.637 . . . . 0.0 111.701 -169.75 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 7.8 m -66.3 125.36 25.36 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 102.625 -3.102 . . . . 0.0 102.625 167.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -52.19 -22.67 4.55 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 115.992 1.849 . . . . 0.0 115.992 -168.38 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 37.0 t70 -66.65 -47.19 73.31 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 118.981 0.81 . . . . 0.0 111.423 177.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 175.54 -22.42 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.771 1.628 . . . . 0.0 114.158 173.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -56.8 123.38 14.82 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 119.521 1.055 . . . . 0.0 109.697 -169.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 2.1 t80 -125.09 128.55 48.63 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 125.123 1.369 . . . . 0.0 110.883 -168.216 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 2.4 p -151.87 178.1 9.75 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.453 1.501 . . . . 0.0 109.232 171.497 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -131.81 158.24 41.8 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 120.795 -1.19 . . . . 0.0 110.905 174.329 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.68 -159.8 17.56 Favored Glycine 0 CA--C 1.528 0.905 0 C-N-CA 126.19 1.852 . . . . 0.0 108.898 -170.232 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.4 t -132.46 143.09 40.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 CA-C-N 118.648 1.224 . . . . 0.0 110.193 -174.259 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 57.4 t -66.3 128.78 29.92 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 172.024 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -132.57 13.42 4.49 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.499 1.12 . . . . 0.0 111.489 171.595 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -177.07 173.2 46.1 Favored Glycine 0 C--N 1.338 0.686 0 CA-C-N 119.012 0.824 . . . . 0.0 112.487 173.708 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 9.2 m80 -136.35 154.33 50.87 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 125.902 1.681 . . . . 0.0 109.954 -177.714 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 49.2 ttt180 . . . . . 0 C--O 1.232 0.143 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 171.956 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 48.8 tp . . . . . 0 N--CA 1.448 -0.548 0 N-CA-C 108.453 -0.944 . . . . 0.0 108.453 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -121.3 156.25 32.94 Favored 'General case' 0 CA--C 1.513 -0.467 0 C-N-CA 124.63 1.172 . . . . 0.0 109.332 -175.542 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -137.34 132.21 33.27 Favored 'General case' 0 N--CA 1.442 -0.833 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 -175.66 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 46.8 t -83.89 104.1 13.7 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 102.209 -3.256 . . . . 0.0 102.209 168.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 28.2 mm -85.29 122.44 38.29 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 N-CA-C 105.352 -2.092 . . . . 0.0 105.352 171.35 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -83.19 120.44 25.8 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 102.579 -3.119 . . . . 0.0 102.579 168.371 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 22.7 ttpp -141.89 135.13 29.18 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 105.106 -2.183 . . . . 0.0 105.106 -173.108 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 55.72 27.62 10.97 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.527 0.731 . . . . 0.0 111.351 -176.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 81.05 14.52 79.14 Favored Glycine 0 CA--C 1.53 1.005 0 CA-C-O 118.943 -0.92 . . . . 0.0 113.355 175.244 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -142.56 154.59 44.59 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 118.661 1.23 . . . . 0.0 110.695 -179.127 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 88.4 mtm-85 -80.89 138.23 36.16 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.136 0.975 . . . . 0.0 109.37 -175.235 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -144.48 127.96 16.97 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 107.026 -1.472 . . . . 0.0 107.026 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 92.2 m95 -81.06 126.95 32.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 118.518 0.599 . . . . 0.0 110.338 177.595 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -128.7 166.67 18.5 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 107.122 -1.436 . . . . 0.0 107.122 169.181 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 55.8 pttt -115.98 166.39 12.04 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.79 1.236 . . . . 0.0 110.075 -176.583 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -48.31 -52.03 23.34 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 117.423 -1.275 . . . . 0.0 114.249 -169.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -69.79 -19.47 63.5 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 121.503 1.956 . . . . 0.0 113.394 179.338 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -87.26 -4.92 59.1 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 125.085 1.354 . . . . 0.0 111.167 172.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 91.2 t -119.63 90.63 1.62 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.643 0 N-CA-C 105.667 -1.975 . . . . 0.0 105.667 177.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 11.8 pt -108.21 174.78 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 -175.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 4.4 mt -122.03 134.69 54.79 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 106.826 -1.546 . . . . 0.0 106.826 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1589 ' ' SER . . . . . 0.419 ' HA ' ' CG ' ' A' 1500 ' ' TYR . 12.6 p -63.6 167.33 5.81 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 106.3 -1.741 . . . . 0.0 106.3 168.798 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.1 pp -57.87 -37.59 74.2 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 121.11 -0.994 . . . . 0.0 111.826 173.281 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -72.28 -42.0 66.05 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 121.283 -0.885 . . . . 0.0 108.741 -174.682 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -67.09 -49.95 63.28 Favored 'General case' 0 C--O 1.227 -0.123 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 179.304 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -63.24 -29.89 75.85 Favored Glycine 0 C--N 1.338 0.677 0 CA-C-O 118.737 -1.035 . . . . 0.0 111.552 -176.596 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -53.68 -38.79 64.54 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 119.327 1.563 . . . . 0.0 112.512 174.64 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -61.25 -17.37 53.04 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 118.64 0.655 . . . . 0.0 112.546 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1596 ' ' LEU . . . . . 0.527 ' N ' HD23 ' A' 1596 ' ' LEU . 0.0 OUTLIER -115.11 -15.96 11.65 Favored 'General case' 0 C--N 1.342 0.244 0 C-N-CA 124.556 1.142 . . . . 0.0 110.919 176.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 8.4 tmm_? -62.25 -38.48 89.42 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 120.4 1.455 . . . . 0.0 110.082 179.086 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -59.06 -22.03 60.09 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.788 0.835 . . . . 0.0 112.989 179.201 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -113.97 -44.01 3.2 Favored 'General case' 0 C--N 1.346 0.427 0 CA-C-N 119.162 0.892 . . . . 0.0 111.668 -176.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 8.9 m-30 -94.28 -16.14 23.85 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.07 0.948 . . . . 0.0 111.969 -170.027 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -42.2 129.42 4.6 Favored Glycine 0 CA--C 1.53 0.973 0 C-N-CA 126.406 1.955 . . . . 0.0 111.907 170.04 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1602 ' ' LEU . . . . . 0.53 HD22 HD23 ' A' 1534 ' ' LEU . 0.9 OUTLIER . . . . . 0 C--O 1.234 0.254 0 CA-C-N 118.185 0.992 . . . . 0.0 109.238 174.201 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 88.1 m-85 . . . . . 0 N--CA 1.467 0.38 0 N-CA-C 114.342 1.238 . . . . 0.0 114.342 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 6.4 t -58.67 115.12 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 C-N-CA 125.673 1.589 . . . . 0.0 108.662 -173.566 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 114.12 -22.81 13.5 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 125.145 1.355 . . . . 0.0 112.388 179.523 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 8.9 mp -75.2 138.76 42.18 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 118.955 1.378 . . . . 0.0 111.105 -173.12 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 54.3 mtp180 -78.23 128.26 33.47 Favored 'General case' 0 C--O 1.23 0.056 0 N-CA-C 105.523 -2.028 . . . . 0.0 105.523 168.77 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 19.0 m -145.81 -172.18 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 C-N-CA 125.751 1.62 . . . . 0.0 107.838 -175.02 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 5.1 t -122.73 147.63 26.85 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.114 0 N-CA-C 105.689 -1.967 . . . . 0.0 105.689 169.656 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -145.22 152.03 39.34 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 124.362 1.065 . . . . 0.0 108.318 -169.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 82.1 tttt -82.59 134.56 35.18 Favored 'General case' 0 CA--C 1.507 -0.674 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 178.75 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 27.8 t-105 . . . . . 0 N--CA 1.44 -0.974 0 N-CA-C 105.12 -2.178 . . . . 0.0 105.12 169.061 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 4.5 m-30 . . . . . 0 N--CA 1.471 0.587 0 CA-C-O 120.84 0.352 . . . . 0.0 111.887 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 2.2 m-30 -110.93 112.99 25.21 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 -169.652 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -108.59 151.8 25.63 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 125.698 1.599 . . . . 0.0 108.65 -172.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 3.9 m -74.07 150.42 40.6 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 123.077 0.551 . . . . 0.0 110.299 178.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -173.58 -175.22 41.14 Favored Glycine 0 C--N 1.332 0.344 0 O-C-N 121.551 -0.718 . . . . 0.0 111.94 -175.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -128.35 129.53 46.39 Favored 'General case' 0 CA--C 1.516 -0.351 0 C-N-CA 125.98 1.712 . . . . 0.0 106.817 -173.069 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 16.6 mt -72.47 130.87 35.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 106.905 -1.517 . . . . 0.0 106.905 179.338 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 65.6 p -105.81 -36.83 6.9 Favored 'General case' 0 CA--C 1.519 -0.24 0 C-N-CA 123.109 0.563 . . . . 0.0 110.513 -171.478 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.81 142.21 3.59 Favored 'General case' 0 C--N 1.344 0.343 0 C-N-CA 123.934 0.894 . . . . 0.0 111.21 177.202 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 7.4 t0 -69.49 102.92 1.91 Allowed 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 125.143 1.377 . . . . 0.0 107.748 168.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.5 t -64.9 -50.23 76.08 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 -175.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 146.66 165.41 11.61 Favored Glycine 0 C--N 1.337 0.612 0 N-CA-C 109.763 -1.335 . . . . 0.0 109.763 177.466 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 59.71 4.74 0.59 Allowed 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 115.262 1.579 . . . . 0.0 115.262 178.386 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 107.93 -7.27 35.59 Favored Glycine 0 CA--C 1.525 0.7 0 C-N-CA 124.749 1.166 . . . . 0.0 111.075 -173.53 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -74.61 138.03 42.7 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 120.462 2.131 . . . . 0.0 108.159 169.627 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -127.26 136.96 52.72 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 104.902 -2.258 . . . . 0.0 104.902 169.65 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -83.81 137.72 33.58 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 176.409 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.0 mm? -124.63 119.13 28.13 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 125.1 1.36 . . . . 0.0 108.144 -169.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 32.8 tp -83.75 94.31 8.13 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 103.929 -2.619 . . . . 0.0 103.929 169.172 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -55.85 148.47 16.82 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 172.772 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -65.6 -14.49 61.26 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.2 0.6 . . . . 0.0 112.351 -169.673 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 18.5 p-10 -90.34 0.78 57.1 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.686 1.594 . . . . 0.0 113.495 174.388 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 110.06 -6.0 30.63 Favored Glycine 0 CA--C 1.532 1.139 0 C-N-CA 124.926 1.25 . . . . 0.0 114.755 168.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -79.47 154.58 28.79 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 118.226 1.013 . . . . 0.0 109.415 -175.15 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -139.35 118.07 12.32 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 -175.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 10.7 m -145.93 158.14 43.87 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.819 1.248 . . . . 0.0 107.896 -178.731 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -80.75 143.0 33.25 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 171.593 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 88.9 t -141.88 139.65 30.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 N-CA-C 107.0 -1.482 . . . . 0.0 107.0 177.614 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.0 mt -77.68 150.82 34.47 Favored 'General case' 0 C--O 1.22 -0.491 0 O-C-N 121.819 -0.551 . . . . 0.0 111.022 179.411 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -54.89 -35.06 57.99 Favored Glycine 0 CA--C 1.523 0.589 0 C-N-CA 124.744 1.164 . . . . 0.0 112.743 -178.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.81 -33.14 64.16 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 117.711 0.756 . . . . 0.0 110.415 176.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -100.49 23.15 10.68 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 125.93 1.692 . . . . 0.0 111.992 -170.675 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -131.22 136.82 56.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 N-CA-C 106.652 -1.61 . . . . 0.0 106.652 179.33 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 62.5 mt -118.36 113.71 21.82 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 127.592 2.357 . . . . 0.0 104.813 -174.308 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1534 ' ' LEU . . . . . 0.549 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -110.36 -2.4 16.68 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 116.535 2.05 . . . . 0.0 116.535 -169.126 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 23.5 p -130.45 57.54 1.71 Allowed 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 104.076 -2.565 . . . . 0.0 104.076 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -98.63 19.23 0.04 OUTLIER Pre-proline 0 CA--C 1.543 0.709 0 N-CA-C 120.858 3.651 . . . . 0.0 120.858 -168.061 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -57.63 113.13 1.37 Allowed 'Trans proline' 0 CA--C 1.541 0.844 0 CA-C-N 125.005 2.823 . . . . 0.0 105.492 168.683 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 15.8 mm -60.94 124.32 79.33 Favored Pre-proline 0 CA--C 1.537 0.467 0 CA-C-O 118.376 -0.821 . . . . 0.0 109.559 -167.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -62.07 141.23 88.05 Favored 'Trans proline' 0 N--CA 1.451 -1.009 0 C-N-CA 121.724 1.616 . . . . 0.0 110.056 174.747 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1540 ' ' LEU . . . . . 0.488 ' H ' HD12 ' A' 1540 ' ' LEU . 4.1 mp -56.7 144.26 33.18 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 169.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 21.3 t70 82.24 -7.74 1.31 Allowed 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 127.442 2.297 . . . . 0.0 113.512 -176.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 18.3 m -68.77 136.47 52.84 Favored 'General case' 0 C--O 1.239 0.513 0 O-C-N 120.972 -1.08 . . . . 0.0 108.497 170.417 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -79.27 137.07 37.23 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 171.207 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 1.8 m -145.56 160.27 12.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 124.359 1.063 . . . . 0.0 109.172 -176.504 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 35.2 m -89.73 139.26 30.74 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 105.617 -1.994 . . . . 0.0 105.617 169.807 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -113.36 144.97 41.86 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 125.187 1.395 . . . . 0.0 107.782 176.261 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -139.06 114.09 9.41 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 123.897 0.879 . . . . 0.0 109.775 -169.774 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 18.9 m -62.14 150.17 39.37 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 105.768 -1.938 . . . . 0.0 105.768 167.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -61.82 -17.6 56.89 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 115.137 1.532 . . . . 0.0 115.137 -168.547 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 20.2 t0 -86.04 -62.51 1.5 Allowed 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 119.552 1.069 . . . . 0.0 111.157 178.052 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -167.83 -13.48 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 173.039 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -59.3 122.67 14.47 Favored 'General case' 0 C--N 1.341 0.229 0 CA-C-N 119.953 1.252 . . . . 0.0 110.108 -170.62 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -115.94 133.0 56.48 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 125.412 1.485 . . . . 0.0 110.57 -168.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 1.1 p -152.36 178.14 9.84 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.669 1.588 . . . . 0.0 108.876 173.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -136.17 158.93 43.24 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 119.967 1.258 . . . . 0.0 111.31 174.387 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -171.48 -160.69 20.62 Favored Glycine 0 CA--C 1.528 0.849 0 N-CA-C 108.776 -1.73 . . . . 0.0 108.776 -172.537 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.8 t -131.32 143.54 40.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-N 118.279 1.04 . . . . 0.0 109.024 -174.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 80.3 t -66.49 125.14 23.14 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 173.624 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 86.4 mttt -134.27 22.45 3.76 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 118.999 0.818 . . . . 0.0 112.039 171.077 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -179.44 171.36 43.14 Favored Glycine 0 C--N 1.34 0.805 0 O-C-N 121.322 -0.861 . . . . 0.0 111.528 169.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 8.3 m80 -137.17 154.72 50.16 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.793 1.637 . . . . 0.0 110.555 -177.003 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 47.8 ttt180 . . . . . 0 N--CA 1.461 0.094 0 C-N-CA 125.198 1.399 . . . . 0.0 107.264 170.908 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 55.8 tp . . . . . 0 N--CA 1.446 -0.665 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -124.33 155.02 39.45 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 125.141 1.376 . . . . 0.0 108.966 -172.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -137.45 131.92 32.62 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 106.85 -1.537 . . . . 0.0 106.85 -174.139 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.9 t -85.96 98.82 11.03 Favored 'General case' 0 CA--C 1.514 -0.432 0 N-CA-C 102.773 -3.047 . . . . 0.0 102.773 169.184 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 31.2 mm -80.09 125.8 39.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 105.255 -2.128 . . . . 0.0 105.255 173.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -82.87 115.92 21.96 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 102.552 -3.129 . . . . 0.0 102.552 168.343 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 19.7 ttpt -141.37 135.83 30.85 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 104.668 -2.345 . . . . 0.0 104.668 -170.539 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 54.69 25.94 7.0 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 122.96 0.504 . . . . 0.0 111.705 -172.109 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 78.56 15.19 81.22 Favored Glycine 0 CA--C 1.53 1.016 0 CA-C-O 118.834 -0.981 . . . . 0.0 113.53 177.095 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -142.62 156.01 45.02 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 118.742 1.271 . . . . 0.0 110.509 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 69.6 mtp180 -79.1 135.57 36.89 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 124.023 0.929 . . . . 0.0 109.393 -174.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -142.49 129.6 20.86 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 106.384 -1.71 . . . . 0.0 106.384 -179.296 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 90.6 m95 -80.99 126.4 31.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 118.551 0.614 . . . . 0.0 109.88 178.014 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -128.89 161.8 29.01 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 106.792 -1.558 . . . . 0.0 106.792 169.246 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -107.69 165.87 11.11 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.658 1.183 . . . . 0.0 110.113 -175.144 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -51.37 -44.2 62.04 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 120.152 1.342 . . . . 0.0 113.296 -175.33 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -68.63 -26.62 65.43 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 121.209 1.822 . . . . 0.0 112.471 177.667 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -87.56 -3.83 58.98 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.767 1.227 . . . . 0.0 111.346 179.522 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 88.2 t -118.36 93.01 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 N-CA-C 105.11 -2.182 . . . . 0.0 105.11 -179.551 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 7.8 pt -108.73 167.7 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 N-CA-C 107.343 -1.354 . . . . 0.0 107.343 -174.562 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 5.6 mt -113.35 124.72 53.12 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 -176.71 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.62 144.3 56.36 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 105.418 -2.068 . . . . 0.0 105.418 168.511 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.3 pp -52.59 -36.78 56.79 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 -168.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -65.42 -37.75 87.88 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -177.451 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -79.37 -43.3 23.74 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 -177.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -55.09 -33.73 57.79 Favored Glycine 0 CA--C 1.526 0.754 0 C-N-CA 123.377 0.513 . . . . 0.0 111.979 174.296 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -62.88 -44.3 96.47 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 118.339 1.069 . . . . 0.0 111.432 176.452 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 40.7 mtt180 -61.63 -16.67 50.5 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 112.557 0.576 . . . . 0.0 112.557 176.383 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.9 mp -95.83 -30.16 13.83 Favored 'General case' 0 C--N 1.342 0.279 0 C-N-CA 123.5 0.72 . . . . 0.0 110.588 171.21 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 68.0 ttp85 -56.63 -38.51 72.2 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.148 1.379 . . . . 0.0 111.785 -176.308 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -58.0 -22.62 50.43 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 118.545 -0.741 . . . . 0.0 112.962 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -115.28 -45.58 2.93 Favored 'General case' 0 C--N 1.348 0.521 0 CA-C-N 119.611 1.096 . . . . 0.0 112.382 178.348 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 8.0 m-30 -92.13 -8.04 46.82 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 123.977 0.911 . . . . 0.0 112.625 -169.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -56.8 131.92 51.9 Favored Glycine 0 CA--C 1.525 0.682 0 C-N-CA 125.335 1.445 . . . . 0.0 110.875 179.038 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1602 ' ' LEU . . . . . 0.549 HD22 HD23 ' A' 1534 ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.235 0.29 0 CA-C-N 118.55 1.175 . . . . 0.0 109.037 174.065 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 89.5 m-85 . . . . . 0 N--CA 1.469 0.486 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 3.1 t -64.69 125.45 21.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -170.119 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 101.59 -23.76 33.91 Favored Glycine 0 CA--C 1.529 0.954 0 C-N-CA 125.499 1.523 . . . . 0.0 113.177 -178.132 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 49.1 mt -69.73 135.43 49.77 Favored 'General case' 0 C--N 1.342 0.275 0 CA-C-N 119.217 1.509 . . . . 0.0 111.58 -173.36 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 58.2 mtm180 -77.62 127.16 32.01 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 105.897 -1.89 . . . . 0.0 105.897 168.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 20.3 m -146.86 -174.48 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 C-N-CA 125.506 1.522 . . . . 0.0 107.13 -173.15 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 1.9 t -120.51 148.07 23.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 106.114 -1.81 . . . . 0.0 106.114 171.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -148.33 150.25 33.27 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 123.892 0.877 . . . . 0.0 109.259 -170.516 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 78.1 tttt -82.94 132.65 35.14 Favored 'General case' 0 CA--C 1.513 -0.465 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 178.396 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 23.6 t-105 . . . . . 0 N--CA 1.446 -0.628 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 169.554 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 11.1 m-30 . . . . . 0 C--O 1.234 0.254 0 CA-C-O 121.727 0.775 . . . . 0.0 110.248 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -93.34 107.52 19.33 Favored 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 105.264 -2.125 . . . . 0.0 105.264 -178.489 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -99.0 152.55 19.69 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.279 1.032 . . . . 0.0 108.274 -176.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 5.2 m -75.14 148.54 39.55 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.432 0.693 . . . . 0.0 110.21 178.781 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -171.26 179.99 42.73 Favored Glycine 0 CA--C 1.523 0.558 0 O-C-N 121.766 -0.584 . . . . 0.0 111.717 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.54 134.86 54.71 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 106.373 -1.714 . . . . 0.0 106.373 177.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 7.7 mt -70.49 134.25 30.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 171.271 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 70.0 p -109.12 -35.06 6.41 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 123.087 0.555 . . . . 0.0 110.455 -171.296 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.63 143.69 3.38 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.314 1.046 . . . . 0.0 111.558 175.54 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 7.2 t0 -69.82 102.9 2.04 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.249 1.42 . . . . 0.0 108.647 169.374 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.3 t -65.22 -49.97 76.17 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -176.72 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 145.62 164.8 10.98 Favored Glycine 0 C--N 1.338 0.653 0 N-CA-C 109.911 -1.276 . . . . 0.0 109.911 178.05 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 60.04 4.93 0.68 Allowed 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 115.151 1.537 . . . . 0.0 115.151 177.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 108.41 -7.8 34.73 Favored Glycine 0 C--N 1.337 0.626 0 C-N-CA 124.903 1.24 . . . . 0.0 110.938 -173.681 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -75.4 138.03 41.43 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 120.09 1.945 . . . . 0.0 108.506 169.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -128.11 137.4 52.1 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 105.197 -2.149 . . . . 0.0 105.197 169.612 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 29.7 ttpt -83.84 139.56 32.58 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 177.717 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 2.8 mm? -124.99 118.31 25.95 Favored 'General case' 0 CA--C 1.51 -0.595 0 C-N-CA 125.104 1.361 . . . . 0.0 108.614 -169.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 40.7 tp -83.39 93.94 7.87 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 104.3 -2.481 . . . . 0.0 104.3 168.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -56.36 146.35 24.39 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 170.285 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -64.41 -20.86 66.42 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -170.099 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -81.69 3.46 25.41 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.381 1.472 . . . . 0.0 113.204 174.363 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 103.88 -4.01 45.59 Favored Glycine 0 CA--C 1.528 0.869 0 C-N-CA 125.243 1.402 . . . . 0.0 114.8 169.189 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -80.91 153.88 27.33 Favored 'General case' 0 C--O 1.231 0.089 0 CA-C-N 118.189 0.994 . . . . 0.0 109.267 -175.32 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -141.43 117.63 10.69 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 -176.284 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 85.5 m -144.76 162.72 36.05 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 125.231 1.413 . . . . 0.0 107.936 174.546 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -75.72 145.32 40.96 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 170.086 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 93.8 t -140.79 139.81 34.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 106.885 -1.524 . . . . 0.0 106.885 173.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.8 mt -77.38 150.67 35.07 Favored 'General case' 0 CA--C 1.51 -0.571 0 C-N-CA 122.941 0.497 . . . . 0.0 111.227 178.629 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -53.45 -35.57 51.36 Favored Glycine 0 CA--C 1.523 0.56 0 C-N-CA 124.952 1.263 . . . . 0.0 113.27 -179.072 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.97 -29.4 63.21 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 117.528 0.664 . . . . 0.0 110.891 177.361 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -106.14 21.83 16.7 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 126.03 1.732 . . . . 0.0 111.845 -170.779 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -131.63 132.61 62.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 N-CA-C 105.86 -1.904 . . . . 0.0 105.86 178.27 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 9.9 mp -117.82 119.87 36.21 Favored 'General case' 0 CA--C 1.516 -0.332 0 N-CA-C 104.521 -2.4 . . . . 0.0 104.521 -174.649 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1534 ' ' LEU . . . . . 0.513 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -113.3 -2.81 13.93 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 116.971 2.211 . . . . 0.0 116.971 -168.155 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 24.3 p -132.01 50.39 2.24 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 106.163 -1.792 . . . . 0.0 106.163 -177.493 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 54.5 t0 -116.87 60.49 2.36 Favored Pre-proline 0 CA--C 1.539 0.554 0 N-CA-C 116.28 1.956 . . . . 0.0 116.28 -168.273 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -71.73 122.4 8.5 Favored 'Trans proline' 0 CA--C 1.544 1.013 1 N-CA-C 100.743 -4.368 . . . . 0.0 100.743 165.844 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1538 ' ' ILE . . . . . 0.412 HG21 HG11 ' A' 1544 ' ' VAL . 7.0 mm -59.9 124.05 74.89 Favored Pre-proline 0 CA--C 1.542 0.643 0 CA-C-N 119.13 0.877 . . . . 0.0 108.974 -168.467 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -62.92 142.71 89.36 Favored 'Trans proline' 0 N--CA 1.453 -0.909 0 C-N-CA 121.992 1.794 . . . . 0.0 110.265 176.589 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1540 ' ' LEU . . . . . 0.445 ' H ' HD12 ' A' 1540 ' ' LEU . 3.9 mp -57.47 147.46 26.45 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 169.788 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 21.2 t70 75.86 -5.78 2.11 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 127.169 2.188 . . . . 0.0 113.681 -176.173 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 24.0 m -70.11 134.06 47.79 Favored 'General case' 0 C--O 1.239 0.524 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 170.428 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -76.73 137.67 39.48 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 170.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1544 ' ' VAL . . . . . 0.412 HG11 HG21 ' A' 1538 ' ' ILE . 2.6 m -146.54 162.56 9.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 124.699 1.2 . . . . 0.0 109.297 -176.192 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 7.7 m -89.07 143.04 27.13 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 105.725 -1.954 . . . . 0.0 105.725 169.515 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -120.03 136.72 54.46 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 125.661 1.585 . . . . 0.0 107.254 177.455 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.69 113.69 9.3 Favored 'General case' 0 CA--C 1.515 -0.4 0 C-N-CA 123.646 0.779 . . . . 0.0 110.354 -170.042 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 11.8 m -64.13 138.33 58.4 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 105.226 -2.139 . . . . 0.0 105.226 168.269 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -62.15 13.62 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 117.468 2.396 . . . . 0.0 117.468 -169.023 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 32.9 t70 -109.22 -57.28 2.18 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 119.426 1.012 . . . . 0.0 110.527 171.345 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -170.1 -19.1 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 174.432 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -58.77 121.41 11.01 Favored 'General case' 0 C--N 1.344 0.351 0 CA-C-N 119.147 0.885 . . . . 0.0 109.317 -171.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 1.7 t80 -121.46 133.81 55.06 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 125.08 1.352 . . . . 0.0 110.389 -168.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 2.5 p -152.25 178.44 9.5 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.73 1.612 . . . . 0.0 109.37 171.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -135.05 157.35 47.15 Favored 'General case' 0 CA--C 1.534 0.335 0 O-C-N 120.798 -1.189 . . . . 0.0 111.051 172.255 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.29 -161.57 21.07 Favored Glycine 0 CA--C 1.527 0.825 0 C-N-CA 126.334 1.921 . . . . 0.0 109.194 -171.659 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.5 t -130.33 143.72 40.13 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-N 118.824 1.312 . . . . 0.0 109.539 -173.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 85.0 t -66.89 128.69 30.52 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 173.511 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -133.36 14.67 4.14 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.59 1.156 . . . . 0.0 111.764 171.627 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -176.67 173.61 46.41 Favored Glycine 0 C--N 1.339 0.719 0 CA-C-N 119.242 0.928 . . . . 0.0 111.921 171.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 8.4 m80 -138.04 153.45 49.36 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 126.304 1.842 . . . . 0.0 110.3 -175.667 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 29.7 ttt85 . . . . . 0 CA--C 1.531 0.213 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 170.031 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 32.1 tp . . . . . 0 N--CA 1.449 -0.518 0 CA-C-O 120.966 0.412 . . . . 0.0 110.102 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -133.44 158.16 43.78 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 126.007 1.723 . . . . 0.0 108.58 -174.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -140.91 135.15 30.99 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 -174.59 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 48.5 t -86.61 103.65 15.3 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 102.342 -3.207 . . . . 0.0 102.342 168.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 29.3 mm -83.86 123.47 38.89 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.564 0 N-CA-C 105.5 -2.037 . . . . 0.0 105.5 172.479 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -83.0 121.67 27.3 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 103.112 -2.922 . . . . 0.0 103.112 168.597 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -143.14 135.07 26.86 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 104.956 -2.238 . . . . 0.0 104.956 -171.704 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 54.49 26.41 7.15 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.326 0.65 . . . . 0.0 111.965 -173.208 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 77.43 17.54 79.08 Favored Glycine 0 CA--C 1.53 0.977 0 CA-C-O 118.795 -1.003 . . . . 0.0 113.268 177.435 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -141.45 155.43 45.86 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 118.615 1.208 . . . . 0.0 110.414 178.721 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -80.47 139.35 36.46 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.898 0.879 . . . . 0.0 109.642 -174.172 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -144.75 127.07 15.81 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 106.45 -1.685 . . . . 0.0 106.45 178.614 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 93.0 m95 -80.87 131.48 35.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 118.848 0.749 . . . . 0.0 110.181 177.355 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -132.48 162.65 30.66 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.076 1.35 . . . . 0.0 108.305 169.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -102.74 164.66 11.5 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.349 1.46 . . . . 0.0 110.101 -175.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 21.9 ttp180 -51.71 -43.26 62.74 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 120.297 1.408 . . . . 0.0 114.179 -177.722 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.03 -21.28 62.29 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 121.463 1.938 . . . . 0.0 112.884 177.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -86.95 -8.31 57.34 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 124.566 1.147 . . . . 0.0 111.197 178.09 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 71.8 t -118.93 92.21 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 N-CA-C 105.297 -2.112 . . . . 0.0 105.297 -176.118 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 14.7 pt -110.81 160.03 10.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 -172.246 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 6.1 mt -103.63 118.23 36.23 Favored 'General case' 0 CA--C 1.511 -0.54 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 -176.311 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.06 137.44 51.19 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 105.513 -2.032 . . . . 0.0 105.513 169.336 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.6 pp -50.47 -38.55 44.43 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -168.325 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -69.94 -35.39 74.47 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.125 0.875 . . . . 0.0 110.033 -177.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -69.69 -47.42 63.26 Favored 'General case' 0 C--O 1.227 -0.08 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 176.251 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -62.31 -31.56 79.68 Favored Glycine 0 C--N 1.338 0.679 0 CA-C-O 119.647 -0.53 . . . . 0.0 112.104 -179.498 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -58.62 -41.61 86.31 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 118.976 1.388 . . . . 0.0 111.704 177.387 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 29.3 mtp85 -61.36 -16.23 44.13 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.032 0.533 . . . . 0.0 112.337 178.271 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 7.4 mp -103.75 -26.74 12.62 Favored 'General case' 0 C--N 1.341 0.221 0 C-N-CA 124.82 1.248 . . . . 0.0 110.241 175.66 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 9.0 tmm_? -59.51 -37.9 79.51 Favored 'General case' 0 C--O 1.224 -0.264 0 C-N-CA 124.356 1.062 . . . . 0.0 110.395 -176.384 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -57.59 -20.63 33.81 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.843 0.857 . . . . 0.0 113.233 178.163 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -114.18 -47.25 2.95 Favored 'General case' 0 C--N 1.345 0.39 0 CA-C-N 119.658 1.117 . . . . 0.0 111.61 179.063 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 11.7 m-30 -90.08 -17.67 27.31 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 124.183 0.993 . . . . 0.0 112.467 -169.728 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -43.9 130.5 6.62 Favored Glycine 0 CA--C 1.529 0.916 0 C-N-CA 126.224 1.868 . . . . 0.0 111.784 170.369 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1602 ' ' LEU . . . . . 0.513 HD22 HD23 ' A' 1534 ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.342 0.248 0 CA-C-N 118.126 0.963 . . . . 0.0 109.252 174.722 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.672 0 N-CA-C 112.239 -0.344 . . . . 0.0 112.239 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -151.64 -47.0 0.11 Allowed 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.838 -0.801 . . . . 0.0 110.855 178.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 14.7 tpt -149.87 152.83 35.72 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.099 1.359 . . . . 0.0 108.035 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 55.4 t30 -149.92 156.99 42.71 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 124.469 1.107 . . . . 0.0 108.445 174.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 16.7 m -66.2 92.35 0.18 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.288 1.035 . . . . 0.0 110.061 175.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 89.1 m-85 69.37 -64.71 0.33 Allowed 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 127.533 2.333 . . . . 0.0 114.028 169.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 6.0 t -57.65 115.49 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 C-N-CA 125.689 1.596 . . . . 0.0 108.509 -174.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 113.59 -22.21 15.4 Favored Glycine 0 CA--C 1.532 1.121 0 C-N-CA 125.431 1.491 . . . . 0.0 112.475 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 9.8 mp -74.07 139.33 44.58 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.897 1.349 . . . . 0.0 110.91 -173.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -78.81 126.79 31.18 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 105.865 -1.902 . . . . 0.0 105.865 168.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 16.1 m -146.1 -175.62 0.53 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 C-N-CA 125.271 1.429 . . . . 0.0 107.944 -173.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 9.6 t -120.08 147.72 23.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 105.218 -2.142 . . . . 0.0 105.218 169.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -148.18 152.06 36.6 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.363 1.065 . . . . 0.0 108.786 -169.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 76.5 tttt -83.38 131.1 35.07 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1495 ' ' TRP . . . . . 0.425 ' CE3' HH12 ' B' ' 370' ' ' MLY . 14.0 t-105 -84.02 146.63 27.86 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 107.429 -1.323 . . . . 0.0 107.429 169.063 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 1.5 m -65.31 -175.02 0.2 Allowed 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.851 1.66 . . . . 0.0 113.35 -172.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 14.5 m 55.56 42.18 29.92 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.078 -1.014 . . . . 0.0 111.127 -175.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 66.5 t30 48.4 50.57 16.5 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.798 2.039 . . . . 0.0 113.235 -175.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -86.48 178.22 48.89 Favored Glycine 0 CA--C 1.527 0.793 0 CA-C-O 122.443 1.024 . . . . 0.0 113.568 -178.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1500 ' ' TYR . . . . . 0.413 ' CG ' ' HA ' ' A' 1589 ' ' SER . 11.7 m-30 -74.14 169.31 17.82 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 126.623 1.969 . . . . 0.0 110.705 174.032 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -94.63 110.05 21.91 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 106.149 -1.797 . . . . 0.0 106.149 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -103.83 153.39 20.8 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 124.7 1.2 . . . . 0.0 108.544 -176.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 2.6 m -70.34 147.12 49.97 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 123.79 0.836 . . . . 0.0 110.788 177.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -170.38 -175.97 39.54 Favored Glycine 0 C--O 1.225 -0.419 0 O-C-N 121.608 -0.683 . . . . 0.0 112.313 -178.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 34.1 mtmt -132.8 128.79 37.52 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 -173.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 22.3 mt -72.69 130.99 35.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 106.86 -1.533 . . . . 0.0 106.86 -178.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 71.6 p -106.59 -36.98 6.59 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 123.158 0.583 . . . . 0.0 110.483 -170.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.48 143.41 4.11 Favored 'General case' 0 C--N 1.344 0.345 0 C-N-CA 124.026 0.931 . . . . 0.0 110.93 176.693 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 7.4 t70 -71.0 103.03 2.56 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 168.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.5 t -64.3 -49.53 80.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 -176.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 148.65 166.2 12.76 Favored Glycine 0 C--N 1.34 0.756 0 N-CA-C 109.582 -1.407 . . . . 0.0 109.582 172.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.88 9.29 0.59 Allowed 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 177.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 107.97 -7.66 35.76 Favored Glycine 0 C--N 1.339 0.729 0 C-N-CA 125.133 1.349 . . . . 0.0 111.225 -177.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 12.1 mtpp -74.95 134.37 41.54 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-N 119.818 1.809 . . . . 0.0 106.863 170.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -125.64 138.07 53.9 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 105.508 -2.034 . . . . 0.0 105.508 169.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 29.2 ttpt -84.9 139.16 32.06 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 176.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.2 mm? -125.96 119.21 27.12 Favored 'General case' 0 CA--C 1.513 -0.473 0 C-N-CA 124.744 1.218 . . . . 0.0 108.6 -169.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 40.1 tp -83.88 94.74 8.29 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 104.341 -2.466 . . . . 0.0 104.341 169.133 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -57.08 150.12 17.87 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 173.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -61.98 -25.43 67.62 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 121.914 -0.491 . . . . 0.0 111.781 -172.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 30.0 p-10 -78.51 0.34 26.46 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.735 1.214 . . . . 0.0 113.244 175.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 103.12 -4.09 48.47 Favored Glycine 0 CA--C 1.532 1.13 0 C-N-CA 125.331 1.443 . . . . 0.0 113.321 169.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -79.23 156.17 28.25 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.181 0.991 . . . . 0.0 109.878 -176.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -141.49 117.37 10.48 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 123.757 0.823 . . . . 0.0 108.916 -175.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 87.5 m -144.71 168.35 20.4 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.898 1.679 . . . . 0.0 107.752 174.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -98.19 145.59 26.46 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 123.795 0.838 . . . . 0.0 110.142 178.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 96.1 t -144.04 138.82 24.76 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.442 0 N-CA-C 107.805 -1.184 . . . . 0.0 107.805 -172.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 7.3 mt -76.66 150.57 36.36 Favored 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 122.526 0.331 . . . . 0.0 110.603 178.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -53.78 -34.75 51.38 Favored Glycine 0 CA--C 1.523 0.54 0 C-N-CA 124.407 1.003 . . . . 0.0 113.268 -179.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.53 -32.69 63.14 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 122.104 -0.645 . . . . 0.0 110.673 177.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -101.74 22.88 12.14 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 126.27 1.828 . . . . 0.0 112.226 -170.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -130.23 135.88 59.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 179.66 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 42.0 mt -115.84 110.99 19.81 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 104.883 -2.266 . . . . 0.0 104.883 -175.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1534 ' ' LEU . . . . . 0.545 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -105.69 -2.9 22.77 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 116.761 2.134 . . . . 0.0 116.761 -169.275 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 21.8 p -134.27 49.43 2.25 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 107.006 -1.479 . . . . 0.0 107.006 -176.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 50.0 t0 -115.48 55.47 1.04 Allowed Pre-proline 0 CA--C 1.541 0.611 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 -168.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -67.21 122.75 10.07 Favored 'Trans proline' 0 CA--C 1.542 0.906 1 N-CA-C 101.158 -4.208 . . . . 0.0 101.158 166.491 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1538 ' ' ILE . . . . . 0.513 HG21 HG11 ' A' 1544 ' ' VAL . 9.5 mm -58.61 117.49 21.05 Favored Pre-proline 0 CA--C 1.538 0.499 0 CA-C-N 119.052 0.842 . . . . 0.0 108.885 -168.019 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -63.02 143.21 90.41 Favored 'Trans proline' 0 N--CA 1.451 -1.023 0 C-N-CA 121.804 1.669 . . . . 0.0 110.049 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1540 ' ' LEU . . . . . 0.434 ' H ' HD12 ' A' 1540 ' ' LEU . 3.7 mp -58.41 147.64 30.7 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 169.567 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 20.3 t70 74.64 -3.6 2.54 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 127.306 2.242 . . . . 0.0 113.707 -175.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 30.1 m -70.91 134.65 47.43 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 170.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -77.14 137.1 38.69 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 170.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1544 ' ' VAL . . . . . 0.513 HG11 HG21 ' A' 1538 ' ' ILE . 0.8 OUTLIER -147.53 161.2 7.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 C-N-CA 124.543 1.137 . . . . 0.0 109.667 -174.821 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 2.2 m -89.44 130.23 35.82 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 106.166 -1.791 . . . . 0.0 106.166 169.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -93.41 137.75 32.4 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 170.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.25 99.1 3.77 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.482 0.713 . . . . 0.0 110.323 -171.146 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 4.7 m -62.34 123.39 18.1 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 104.363 -2.458 . . . . 0.0 104.363 168.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -54.21 -21.52 9.16 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 115.727 1.751 . . . . 0.0 115.727 -168.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 37.7 t70 -67.62 -32.23 72.8 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 118.342 -0.837 . . . . 0.0 112.125 175.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 155.55 -20.03 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 129.003 2.921 . . . . 0.0 114.804 169.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -53.89 124.86 16.61 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 119.511 1.05 . . . . 0.0 110.399 -169.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 8.7 t80 -117.25 127.0 53.65 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 124.371 1.069 . . . . 0.0 111.015 -169.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 5.1 p -151.65 177.37 10.43 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.684 1.193 . . . . 0.0 109.634 170.054 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -134.69 159.09 42.37 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 119.773 1.17 . . . . 0.0 111.239 174.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -171.76 -160.01 19.32 Favored Glycine 0 CA--C 1.528 0.851 0 C-N-CA 126.267 1.889 . . . . 0.0 109.106 -171.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.7 t -133.0 142.35 42.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 CA-C-N 118.562 1.181 . . . . 0.0 109.49 -174.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 63.1 t -65.86 126.37 24.95 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 171.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 85.4 mttt -132.74 18.88 4.22 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.865 0.866 . . . . 0.0 111.453 170.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -176.97 173.38 46.26 Favored Glycine 0 C--N 1.34 0.754 0 O-C-N 121.338 -0.851 . . . . 0.0 111.953 170.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 8.9 m80 -137.11 154.15 50.35 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 126.524 1.93 . . . . 0.0 110.14 -178.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 -150.38 158.72 44.46 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 172.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.8 mmtp -126.31 125.71 42.74 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 105.742 -1.948 . . . . 0.0 105.742 170.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -150.01 140.68 22.61 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 -174.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 19.4 m 51.21 29.3 4.76 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.957 0.903 . . . . 0.0 112.728 -174.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 64.78 33.19 86.58 Favored Glycine 0 CA--C 1.53 0.982 0 CA-C-O 119.366 -0.686 . . . . 0.0 112.183 -176.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -140.16 155.92 46.75 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 124.718 1.207 . . . . 0.0 108.098 -176.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 24.8 tp -95.71 135.6 37.2 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 123.804 0.842 . . . . 0.0 112.577 -169.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -131.96 159.12 39.63 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 126.019 1.728 . . . . 0.0 110.286 -174.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -141.32 132.58 26.53 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 -173.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 39.1 t -83.46 107.07 15.71 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 102.412 -3.181 . . . . 0.0 102.412 169.026 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 27.9 mm -88.88 126.03 41.96 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 N-CA-C 105.215 -2.143 . . . . 0.0 105.215 171.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -83.36 113.53 20.79 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 102.472 -3.158 . . . . 0.0 102.472 168.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -140.1 127.9 21.9 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 -168.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 48.68 39.95 14.72 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.413 1.085 . . . . 0.0 111.633 -172.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 67.3 28.91 73.77 Favored Glycine 0 CA--C 1.53 1.008 0 CA-C-O 119.075 -0.847 . . . . 0.0 112.893 175.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -136.17 149.81 48.78 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 174.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -91.3 117.3 29.53 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 106.851 -1.537 . . . . 0.0 106.851 175.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -129.79 129.8 44.53 Favored 'General case' 0 CA--C 1.522 -0.13 0 N-CA-C 107.326 -1.361 . . . . 0.0 107.326 -169.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 91.3 m95 -80.83 123.83 28.58 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -126.46 157.92 37.41 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 169.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 57.5 pttt -99.59 166.38 11.17 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.81 1.244 . . . . 0.0 110.008 -178.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 20.6 ttp-105 -43.59 -54.79 4.7 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-N 120.243 1.383 . . . . 0.0 112.76 -177.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 1.8 ppp? -72.45 -13.25 61.4 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 -174.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -94.43 -1.81 52.99 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 126.243 1.817 . . . . 0.0 110.465 171.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 57.8 t -120.46 89.97 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.593 0 N-CA-C 105.839 -1.911 . . . . 0.0 105.839 175.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 10.6 pt -111.57 165.55 6.59 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 -171.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 11.3 mt -113.29 114.93 27.38 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 -175.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1589 ' ' SER . . . . . 0.413 ' HA ' ' CG ' ' A' 1500 ' ' TYR . 5.0 m -57.81 146.03 32.96 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 106.273 -1.751 . . . . 0.0 106.273 169.19 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.8 pp -54.21 -36.78 63.85 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.569 1.077 . . . . 0.0 112.769 -169.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -64.86 -40.27 94.88 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.765 0.826 . . . . 0.0 109.795 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -68.04 -49.64 60.18 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.557 1.143 . . . . 0.0 108.143 176.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -61.29 -30.86 75.16 Favored Glycine 0 C--N 1.337 0.608 0 C-N-CA 124.241 0.924 . . . . 0.0 112.183 -176.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -53.41 -42.58 67.16 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 118.39 1.095 . . . . 0.0 111.721 174.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -61.14 -14.69 26.55 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.632 0.773 . . . . 0.0 112.568 -179.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 2.0 mp -109.53 -23.42 11.5 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 124.106 0.963 . . . . 0.0 110.822 176.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 2.4 ttp85 -59.1 -36.51 75.28 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 119.802 1.183 . . . . 0.0 111.612 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -57.63 -23.21 49.91 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 118.197 -0.906 . . . . 0.0 113.355 177.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -114.67 -46.77 2.93 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-N 119.765 1.166 . . . . 0.0 112.008 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 9.8 m-30 -91.85 -8.51 46.33 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 124.591 1.156 . . . . 0.0 112.72 -169.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -53.23 128.48 38.28 Favored Glycine 0 CA--C 1.527 0.834 0 C-N-CA 125.4 1.476 . . . . 0.0 110.282 175.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1602 ' ' LEU . . . . . 0.545 HD22 HD23 ' A' 1534 ' ' LEU . 0.7 OUTLIER -64.75 -44.62 89.49 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 118.707 1.254 . . . . 0.0 108.957 174.337 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.326 0 N-CA-C 108.677 -1.769 . . . . 0.0 108.677 -176.77 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 363' ' ' ARG . . . . . . . . . . . . . 44.7 ttm180 . . . . . 0 N--CA 1.493 1.684 0 N-CA-C 110.267 -0.272 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -136.4 174.32 10.74 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.444 1.498 . . . . 0.0 108.587 171.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 365' ' ' HIS . . . . . . . . . . . . . 4.8 p-80 -61.42 173.24 0.95 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.619 1.168 . . . . 0.0 111.567 170.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 366' ' ' SER . . . . . . . . . . . . . 5.0 m -60.01 177.3 0.25 Allowed 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 127.802 2.441 . . . . 0.0 114.257 -176.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 4.1 m -60.84 -6.58 1.85 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.432 1.893 . . . . 0.0 115.794 -174.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 368' ' ' HIS . . . . . . . . . . . . . 45.4 t60 49.19 -129.07 2.04 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 -168.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 9.5 tp -121.84 137.57 54.73 Favored 'General case' 0 N--CA 1.44 -0.941 0 N-CA-C 105.71 -1.959 . . . . 0.0 105.71 174.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 370' ' ' MLY . . . . . 0.425 HH12 ' CE3' ' A' 1495 ' ' TRP . . . . . . . . 0 N--CA 1.449 -0.495 0 N-CA-C 105.443 -2.058 . . . . 0.0 105.443 169.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 371' ' ' SER . . . . . . . . . . . . . 2.2 p -54.01 -13.1 0.7 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 129.182 2.993 . . . . 0.0 114.943 -171.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 372' ' ' LYS . . . . . . . . . . . . . 65.7 pttt -56.34 -24.99 47.47 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.677 0.791 . . . . 0.0 112.905 175.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 373' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -139.72 160.05 40.77 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 125.396 1.478 . . . . 0.0 107.875 172.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 374' ' ' GLY . . . . . . . . . . . . . . . -72.72 160.03 53.88 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 173.11 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -132.78 11.0 4.34 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.788 1.235 . . . . 0.0 111.876 -178.295 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 15.9 m 34.63 69.54 0.15 Allowed 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 127.467 2.307 . . . . 0.0 114.781 169.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 4.5 m . . . . . 0 C--O 1.255 1.35 0 C-N-CA 124.261 1.024 . . . . 0.0 109.839 170.069 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.52 0 N-CA-C 111.507 -0.637 . . . . 0.0 111.507 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 74.8 m80 -70.87 -19.86 62.59 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.865 0.866 . . . . 0.0 112.613 -177.382 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 8.7 ttt -148.71 168.82 21.88 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.656 1.582 . . . . 0.0 107.994 -178.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 52.2 t30 -137.0 153.36 50.68 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 124.092 0.957 . . . . 0.0 109.89 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 20.0 m -64.35 99.55 0.3 Allowed 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.63 1.172 . . . . 0.0 110.12 176.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 86.6 m-85 66.91 -66.08 0.2 Allowed 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 127.628 2.371 . . . . 0.0 114.361 169.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 4.1 t -57.27 114.73 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 C-N-CA 125.825 1.65 . . . . 0.0 108.772 -175.131 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 114.55 -22.85 12.75 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 125.376 1.465 . . . . 0.0 112.353 179.132 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 8.4 mp -74.54 140.64 44.6 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 118.912 1.356 . . . . 0.0 110.994 -173.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 79.2 mtt85 -81.18 127.69 32.94 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 105.639 -1.985 . . . . 0.0 105.639 168.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 17.4 m -145.85 -177.44 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 125.237 1.415 . . . . 0.0 107.72 -173.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 15.7 t -116.72 143.26 27.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 105.197 -2.149 . . . . 0.0 105.197 169.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -145.34 152.78 40.43 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.613 1.165 . . . . 0.0 108.886 -169.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1494 ' ' LYS . . . . . 0.425 ' HE2' ' HA ' ' A' 1498 ' ' ASN . 79.4 tttt -82.56 129.48 34.94 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 178.197 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1495 ' ' TRP . . . . . 0.507 ' CE3' HH12 ' B' ' 370' ' ' MLY . 30.7 t-105 -66.22 125.95 27.18 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 169.639 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -55.58 -27.82 51.47 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 116.735 2.124 . . . . 0.0 116.735 -168.155 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 75.5 m -80.48 59.98 3.7 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 120.009 1.277 . . . . 0.0 110.571 175.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1498 ' ' ASN . . . . . 0.425 ' HA ' ' HE2' ' A' 1494 ' ' LYS . 67.0 t30 42.4 46.24 3.99 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 127.204 2.201 . . . . 0.0 113.056 -178.167 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -97.21 -174.28 34.38 Favored Glycine 0 C--N 1.339 0.718 0 CA-C-O 122.401 1.001 . . . . 0.0 113.75 -170.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1500 ' ' TYR . . . . . 0.402 ' CG ' ' HA ' ' A' 1589 ' ' SER . 11.0 m-30 -72.27 168.94 17.27 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 126.453 1.901 . . . . 0.0 110.221 169.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -96.54 111.12 23.36 Favored 'General case' 0 N--CA 1.446 -0.635 0 N-CA-C 106.275 -1.75 . . . . 0.0 106.275 -176.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -105.55 160.13 15.41 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 125.092 1.357 . . . . 0.0 108.788 -175.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 57.6 m -72.67 145.43 47.23 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 118.717 0.69 . . . . 0.0 110.353 173.149 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -166.99 179.47 40.71 Favored Glycine 0 C--N 1.333 0.385 0 N-CA-C 111.494 -0.643 . . . . 0.0 111.494 178.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 33.5 mtmt -127.94 128.26 44.77 Favored 'General case' 0 CA--C 1.514 -0.442 0 N-CA-C 106.224 -1.769 . . . . 0.0 106.224 -171.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 23.8 mt -73.59 128.14 35.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 106.849 -1.537 . . . . 0.0 106.849 -177.169 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 62.7 p -103.74 -37.66 7.38 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 123.231 0.612 . . . . 0.0 110.098 -170.178 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -166.86 142.41 4.3 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 124.074 0.949 . . . . 0.0 111.551 176.107 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 6.6 t0 -69.01 102.54 1.63 Allowed 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 125.333 1.453 . . . . 0.0 107.792 168.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.5 t -65.05 -50.34 75.07 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 -175.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 145.95 165.81 11.64 Favored Glycine 0 C--N 1.339 0.735 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 57.25 9.3 0.68 Allowed 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 114.904 1.446 . . . . 0.0 114.904 177.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 103.93 -6.45 47.69 Favored Glycine 0 CA--C 1.525 0.696 0 C-N-CA 125.322 1.439 . . . . 0.0 111.163 -176.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 30.5 mtpt -75.09 138.22 41.95 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 119.724 1.762 . . . . 0.0 107.732 171.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -127.52 137.26 52.59 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 105.159 -2.163 . . . . 0.0 105.159 169.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 29.1 ttpt -84.26 138.89 32.7 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 177.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.1 mm? -125.55 118.78 26.49 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 124.758 1.223 . . . . 0.0 108.654 -169.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 43.6 tp -83.73 94.51 8.17 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 105.16 -2.163 . . . . 0.0 105.16 169.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -59.27 151.64 22.73 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 172.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -69.77 -19.21 63.52 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -170.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 44.3 p-10 -76.59 -3.22 36.51 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.821 1.249 . . . . 0.0 112.485 170.173 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 102.55 -2.53 49.62 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 125.941 1.734 . . . . 0.0 113.088 170.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -77.11 157.6 30.93 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 117.896 0.848 . . . . 0.0 109.622 -177.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -142.14 120.45 12.31 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 -176.301 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 64.3 m -146.93 168.07 22.38 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 125.325 1.45 . . . . 0.0 107.815 171.057 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -88.0 142.55 27.7 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 124.148 0.979 . . . . 0.0 109.251 176.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 90.5 t -141.59 137.17 32.09 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.253 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 -177.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.7 mt -75.57 151.14 37.92 Favored 'General case' 0 CA--C 1.513 -0.471 0 C-N-CA 122.945 0.498 . . . . 0.0 112.284 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -55.03 -39.34 68.77 Favored Glycine 0 CA--C 1.521 0.412 0 C-N-CA 124.326 0.965 . . . . 0.0 113.16 -177.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.29 -21.76 64.25 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.387 1.094 . . . . 0.0 112.466 177.32 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -100.64 21.05 14.0 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.744 1.617 . . . . 0.0 111.697 -175.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -132.53 137.02 55.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 -179.442 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 63.1 mt -117.88 114.36 23.12 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 127.682 2.393 . . . . 0.0 104.946 -176.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1534 ' ' LEU . . . . . 0.563 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -107.43 -2.06 20.88 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 116.637 2.088 . . . . 0.0 116.637 -169.387 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 24.5 p -135.11 54.07 1.95 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 106.488 -1.671 . . . . 0.0 106.488 -177.031 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 51.4 t0 -118.51 63.09 5.29 Favored Pre-proline 0 CA--C 1.54 0.567 0 N-CA-C 117.192 2.293 . . . . 0.0 117.192 -168.205 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -72.29 122.7 8.57 Favored 'Trans proline' 0 CA--C 1.546 1.102 1 N-CA-C 100.821 -4.338 . . . . 0.0 100.821 165.694 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1538 ' ' ILE . . . . . 0.445 HG21 HG11 ' A' 1544 ' ' VAL . 5.4 mm -60.18 122.1 64.17 Favored Pre-proline 0 CA--C 1.539 0.555 0 CA-C-N 119.509 1.049 . . . . 0.0 109.19 -168.332 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -63.53 143.83 88.72 Favored 'Trans proline' 0 N--CA 1.452 -0.956 0 C-N-CA 121.952 1.768 . . . . 0.0 110.625 178.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 3.4 mp -58.02 149.06 24.21 Favored 'General case' 0 C--O 1.233 0.211 0 O-C-N 121.638 -0.664 . . . . 0.0 109.544 169.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 4.9 t70 72.36 -2.93 2.44 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.944 2.098 . . . . 0.0 113.538 -176.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 25.0 m -69.48 134.93 49.5 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 169.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -75.48 137.31 40.83 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 107.332 -1.359 . . . . 0.0 107.332 170.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1544 ' ' VAL . . . . . 0.445 HG11 HG21 ' A' 1538 ' ' ILE . 0.9 OUTLIER -146.14 158.89 11.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 124.475 1.11 . . . . 0.0 109.709 -176.449 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 2.8 m -90.23 131.29 36.13 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 105.559 -2.015 . . . . 0.0 105.559 169.461 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -97.38 140.16 32.25 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 172.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.21 99.23 3.81 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.315 1.046 . . . . 0.0 109.889 -169.713 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 5.3 m -64.19 135.41 56.28 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 105.015 -2.217 . . . . 0.0 105.015 168.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -52.62 -36.66 56.9 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.174 0.59 . . . . 0.0 111.557 -169.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 26.6 t0 -79.95 60.75 3.63 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.232 1.413 . . . . 0.0 110.668 174.335 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 55.15 -14.48 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 120.084 3.365 . . . . 0.0 120.084 172.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -58.52 129.42 41.99 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 122.229 2.286 . . . . 0.0 110.144 -176.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 6.5 t80 -125.63 126.07 44.13 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 124.539 1.136 . . . . 0.0 109.783 -169.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 4.0 p -151.62 176.99 10.8 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.651 1.18 . . . . 0.0 109.22 169.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -133.84 158.16 44.1 Favored 'General case' 0 C--O 1.233 0.213 0 O-C-N 120.75 -1.219 . . . . 0.0 111.017 174.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -171.75 -158.23 15.37 Favored Glycine 0 CA--C 1.523 0.588 0 C-N-CA 125.998 1.761 . . . . 0.0 108.701 -171.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.1 t -133.82 143.8 37.55 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-N 118.562 1.181 . . . . 0.0 109.716 -174.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 64.0 t -65.74 127.78 27.49 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.284 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 171.482 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -131.76 12.89 4.87 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.083 0.953 . . . . 0.0 111.737 171.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -176.51 173.57 46.38 Favored Glycine 0 C--N 1.341 0.839 0 O-C-N 121.291 -0.88 . . . . 0.0 112.076 173.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 8.6 m80 -136.7 154.69 50.54 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 126.335 1.854 . . . . 0.0 110.26 -177.052 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 -149.97 159.83 44.08 Favored 'General case' 0 N--CA 1.461 0.086 0 N-CA-C 107.37 -1.344 . . . . 0.0 107.37 171.567 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -129.39 125.47 36.64 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 106.322 -1.733 . . . . 0.0 106.322 169.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -150.23 140.21 21.96 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 -174.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 30.2 m 50.08 30.12 3.97 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.368 1.067 . . . . 0.0 113.594 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 65.94 33.26 85.11 Favored Glycine 0 CA--C 1.533 1.193 0 CA-C-O 119.345 -0.697 . . . . 0.0 112.399 -177.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -138.72 150.75 46.49 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 106.943 -1.503 . . . . 0.0 106.943 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 38.3 tp -94.54 130.91 40.77 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 124.458 1.103 . . . . 0.0 108.925 -171.283 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -122.42 156.37 34.17 Favored 'General case' 0 CA--C 1.515 -0.378 0 C-N-CA 125.371 1.468 . . . . 0.0 109.274 -175.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1570 ' ' TYR . . . . . 0.401 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 72.3 m-85 -139.61 131.72 28.03 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 106.857 -1.535 . . . . 0.0 106.857 -174.098 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 43.9 t -84.36 103.79 13.83 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 102.798 -3.038 . . . . 0.0 102.798 168.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 26.9 mm -85.37 126.55 40.41 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 N-CA-C 105.471 -2.048 . . . . 0.0 105.471 172.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -83.05 115.5 21.89 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 102.568 -3.123 . . . . 0.0 102.568 168.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -142.84 135.51 27.82 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 105.406 -2.072 . . . . 0.0 105.406 -169.386 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 52.19 33.25 12.03 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.639 0.775 . . . . 0.0 111.321 -169.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 73.76 15.44 79.47 Favored Glycine 0 CA--C 1.53 0.97 0 CA-C-O 118.933 -0.926 . . . . 0.0 114.195 175.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -144.38 157.58 44.19 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 118.707 1.254 . . . . 0.0 110.277 -177.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -80.06 135.29 36.32 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.47 0.708 . . . . 0.0 109.463 -173.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -143.1 128.25 18.64 Favored 'General case' 0 N--CA 1.461 0.107 0 N-CA-C 106.872 -1.529 . . . . 0.0 106.872 -178.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 92.2 m95 -81.0 128.24 33.48 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.778 -0.576 . . . . 0.0 110.13 177.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -131.27 163.81 26.97 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.489 1.516 . . . . 0.0 107.005 169.348 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 62.9 pttt -111.52 166.87 10.77 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.274 1.03 . . . . 0.0 110.266 -177.461 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 23.7 ttp180 -41.69 -55.85 2.83 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 114.66 1.356 . . . . 0.0 114.66 -176.06 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 2.2 ppp? -71.7 -15.54 62.21 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 121.116 1.78 . . . . 0.0 113.847 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -93.15 -1.94 55.85 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.34 1.856 . . . . 0.0 111.068 172.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 75.7 t -120.09 91.02 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 N-CA-C 105.769 -1.938 . . . . 0.0 105.769 176.1 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 8.1 pt -107.93 165.68 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 -173.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 8.1 mt -115.2 118.48 33.43 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 106.69 -1.596 . . . . 0.0 106.69 -176.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1589 ' ' SER . . . . . 0.402 ' HA ' ' CG ' ' A' 1500 ' ' TYR . 3.3 m -58.17 145.27 37.67 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 106.416 -1.698 . . . . 0.0 106.416 169.164 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.6 pp -53.48 -35.36 60.49 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -169.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -68.1 -36.43 79.77 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.855 0.862 . . . . 0.0 110.582 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -70.78 -48.8 52.41 Favored 'General case' 0 C--O 1.224 -0.272 0 C-N-CA 124.859 1.264 . . . . 0.0 108.016 176.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -62.77 -29.27 73.44 Favored Glycine 0 C--N 1.339 0.696 0 C-N-CA 124.218 0.913 . . . . 0.0 112.364 -177.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -56.87 -39.22 73.93 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 118.608 1.204 . . . . 0.0 112.279 174.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -60.93 -20.54 62.33 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 118.484 0.584 . . . . 0.0 111.656 178.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 7.0 mp -98.34 -26.25 14.56 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.623 1.169 . . . . 0.0 110.809 177.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 66.4 ttp85 -56.72 -39.6 74.2 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 119.573 1.079 . . . . 0.0 111.3 -176.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -60.04 -19.71 54.17 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 118.074 -0.965 . . . . 0.0 113.318 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -114.86 -48.47 2.84 Favored 'General case' 0 C--N 1.347 0.487 0 CA-C-N 119.925 1.238 . . . . 0.0 112.428 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 9.4 m-30 -91.51 -9.36 44.71 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.34 1.056 . . . . 0.0 112.283 -170.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -55.97 130.81 49.51 Favored Glycine 0 CA--C 1.526 0.726 0 C-N-CA 125.421 1.486 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1602 ' ' LEU . . . . . 0.563 HD22 HD23 ' A' 1534 ' ' LEU . 0.7 OUTLIER -66.7 -45.73 77.84 Favored 'General case' 0 C--N 1.342 0.248 0 CA-C-N 118.264 1.032 . . . . 0.0 109.227 174.004 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.119 0 N-CA-C 109.041 -1.624 . . . . 0.0 109.041 -176.131 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 363' ' ' ARG . . . . . . . . . . . . . 58.9 ttm-85 . . . . . 0 N--CA 1.492 1.652 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -119.1 -178.46 3.58 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.285 1.434 . . . . 0.0 107.693 169.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 365' ' ' HIS . . . . . . . . . . . . . 31.5 t60 -56.68 152.45 12.16 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 122.753 0.421 . . . . 0.0 110.184 174.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 366' ' ' SER . . . . . . . . . . . . . 12.6 m -73.8 46.09 0.21 Allowed 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 127.15 2.18 . . . . 0.0 113.667 -172.283 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 12.0 m 69.81 -28.02 0.16 Allowed 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 128.024 2.529 . . . . 0.0 114.325 179.294 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 368' ' ' HIS . . . . . . . . . . . . . 2.2 t60 48.7 -154.64 0.09 Allowed 'General case' 0 C--O 1.237 0.396 0 C-N-CA 124.18 0.992 . . . . 0.0 110.264 -170.07 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.32 129.32 53.69 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 104.011 -2.588 . . . . 0.0 104.011 169.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 370' ' ' MLY . . . . . 0.507 HH12 ' CE3' ' A' 1495 ' ' TRP . . . . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 104.03 -2.582 . . . . 0.0 104.03 172.351 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 371' ' ' SER . . . . . . . . . . . . . 1.7 p -63.75 -4.74 3.34 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.312 1.445 . . . . 0.0 113.962 -169.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 372' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -54.32 -45.37 72.61 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.3 1.04 . . . . 0.0 110.284 169.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 373' ' ' LYS . . . . . . . . . . . . . 32.8 mmmt -136.12 18.33 3.21 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.602 1.561 . . . . 0.0 111.019 179.005 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 374' ' ' GLY . . . . . . . . . . . . . . . 66.46 -71.58 0.15 Allowed Glycine 0 CA--C 1.531 1.09 0 C-N-CA 125.941 1.734 . . . . 0.0 111.599 -170.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -152.45 -7.8 0.2 Allowed 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.233 1.413 . . . . 0.0 111.956 174.687 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 17.3 m -69.85 161.34 30.09 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 119.279 0.945 . . . . 0.0 111.533 -174.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 26.3 m . . . . . 0 C--O 1.255 1.345 0 N-CA-C 106.077 -1.823 . . . . 0.0 106.077 175.676 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.575 0 CA-C-O 121.417 0.454 . . . . 0.0 112.322 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -151.63 170.53 19.47 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.083 1.353 . . . . 0.0 108.75 177.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 77.6 mtm -60.05 153.95 20.38 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.277 0.631 . . . . 0.0 109.678 169.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 59.7 t30 -65.19 149.29 50.17 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 176.684 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 20.1 m -63.29 99.9 0.21 Allowed 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 124.223 1.009 . . . . 0.0 109.987 174.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 84.6 m-85 67.04 -64.24 0.25 Allowed 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 127.676 2.39 . . . . 0.0 114.452 169.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 6.6 t -59.51 115.8 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 C-N-CA 125.496 1.518 . . . . 0.0 108.613 -173.028 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 114.55 -23.73 11.88 Favored Glycine 0 CA--C 1.529 0.936 0 C-N-CA 125.372 1.463 . . . . 0.0 112.219 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 8.6 mp -74.58 137.86 42.63 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 118.747 1.274 . . . . 0.0 110.972 -172.304 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 43.2 mtp180 -77.17 128.86 35.15 Favored 'General case' 0 N--CA 1.463 0.205 0 N-CA-C 105.955 -1.868 . . . . 0.0 105.955 168.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 22.2 m -146.31 -175.41 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 C-N-CA 125.786 1.635 . . . . 0.0 107.463 -174.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 3.9 t -120.68 143.7 31.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 104.648 -2.353 . . . . 0.0 104.648 169.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -144.39 153.26 41.75 Favored 'General case' 0 CA--C 1.513 -0.453 0 O-C-N 121.189 -0.945 . . . . 0.0 108.803 -170.376 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 72.1 tttt -81.8 127.66 33.2 Favored 'General case' 0 CA--C 1.507 -0.673 0 N-CA-C 106.419 -1.697 . . . . 0.0 106.419 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1495 ' ' TRP . . . . . 0.41 ' CE3' HH12 ' B' ' 370' ' ' MLY . 27.4 t-105 -64.69 123.5 19.47 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 106.792 -1.559 . . . . 0.0 106.792 169.601 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.47 -29.68 26.01 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 126.825 2.05 . . . . 0.0 116.06 -168.1 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 12.6 m -81.46 55.46 2.62 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 119.27 0.941 . . . . 0.0 110.853 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 63.8 t30 44.45 45.43 7.57 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 127.872 2.469 . . . . 0.0 113.546 -176.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -96.86 -171.11 34.11 Favored Glycine 0 C--N 1.338 0.674 0 CA-C-O 121.983 0.768 . . . . 0.0 113.888 -174.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 13.3 m-30 -71.94 169.31 16.14 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 126.01 1.724 . . . . 0.0 110.816 171.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -85.85 108.43 18.13 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 173.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -99.46 150.96 21.65 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.796 1.238 . . . . 0.0 107.711 178.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 7.8 m -72.02 147.19 47.1 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.354 0.661 . . . . 0.0 110.273 177.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -171.82 -174.46 39.37 Favored Glycine 0 C--N 1.336 0.546 0 O-C-N 121.687 -0.633 . . . . 0.0 112.23 -176.113 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 41.1 mtmt -130.84 130.83 44.12 Favored 'General case' 0 CA--C 1.516 -0.341 0 C-N-CA 126.129 1.772 . . . . 0.0 106.947 -173.147 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 18.8 mt -73.34 130.62 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 66.3 p -104.8 -37.19 7.13 Favored 'General case' 0 CA--C 1.517 -0.289 0 C-N-CA 122.995 0.518 . . . . 0.0 111.036 -171.482 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -169.0 141.07 2.59 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 123.949 0.9 . . . . 0.0 111.431 177.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 8.1 t70 -68.26 102.82 1.45 Allowed 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.041 1.336 . . . . 0.0 107.887 168.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.5 t -64.66 -50.1 77.26 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 C-N-CA 123.619 0.768 . . . . 0.0 108.935 -177.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 146.62 163.89 10.69 Favored Glycine 0 C--N 1.338 0.667 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 58.87 8.79 1.02 Allowed 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 177.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 103.09 -7.37 52.22 Favored Glycine 0 CA--C 1.525 0.675 0 C-N-CA 124.716 1.151 . . . . 0.0 111.471 -173.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -74.66 137.69 42.36 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-N 120.576 2.188 . . . . 0.0 107.674 169.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -126.42 139.05 53.56 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 104.805 -2.294 . . . . 0.0 104.805 169.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -84.24 140.46 31.66 Favored 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 107.559 -1.274 . . . . 0.0 107.559 175.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1517 ' ' LEU . . . . . 0.482 HD21 HD13 ' A' 1532 ' ' ILE . 3.0 mm? -125.72 119.38 27.83 Favored 'General case' 0 CA--C 1.51 -0.587 0 N-CA-C 107.956 -1.128 . . . . 0.0 107.956 -169.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 42.8 tp -83.74 94.23 8.11 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 104.538 -2.393 . . . . 0.0 104.538 169.187 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -56.73 150.17 16.54 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 172.019 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -67.01 -16.84 64.62 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -170.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 24.6 p-10 -85.55 2.93 42.83 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.733 1.613 . . . . 0.0 112.721 172.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 101.57 -3.61 53.66 Favored Glycine 0 CA--C 1.53 1.0 0 C-N-CA 125.183 1.373 . . . . 0.0 114.217 169.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -79.68 155.41 28.05 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 118.347 1.074 . . . . 0.0 109.413 -176.152 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -141.44 117.47 10.57 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 -175.323 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 83.2 m -143.69 164.79 29.46 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.411 1.484 . . . . 0.0 108.058 175.034 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -83.45 142.08 31.22 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 123.87 0.868 . . . . 0.0 108.783 174.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 88.5 t -141.06 134.72 31.91 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.311 0 N-CA-C 107.113 -1.44 . . . . 0.0 107.113 178.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.5 mt -70.54 148.0 48.69 Favored 'General case' 0 C--O 1.22 -0.461 0 O-C-N 121.782 -0.574 . . . . 0.0 110.619 176.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -54.19 -33.85 52.51 Favored Glycine 0 C--N 1.335 0.51 0 C-N-CA 124.189 0.899 . . . . 0.0 112.992 176.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.76 -24.59 23.19 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.082 0.553 . . . . 0.0 112.142 173.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -113.97 22.31 14.04 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.21 1.804 . . . . 0.0 111.242 -170.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1532 ' ' ILE . . . . . 0.482 HD13 HD21 ' A' 1517 ' ' LEU . 1.7 mt -127.01 133.91 67.33 Favored 'Isoleucine or valine' 0 C--N 1.343 0.294 0 N-CA-C 106.693 -1.595 . . . . 0.0 106.693 177.031 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 58.7 mt -112.69 110.45 20.6 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 128.682 2.793 . . . . 0.0 104.69 -176.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1534 ' ' LEU . . . . . 0.578 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -108.0 -4.3 17.97 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 116.392 1.997 . . . . 0.0 116.392 -169.045 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 19.7 p -131.01 53.16 2.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 105.59 -2.004 . . . . 0.0 105.59 -177.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 53.7 t0 -118.55 62.78 5.22 Favored Pre-proline 0 C--O 1.237 0.406 0 N-CA-C 116.848 2.166 . . . . 0.0 116.848 -168.283 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -74.38 122.86 7.77 Favored 'Trans proline' 0 CA--C 1.55 1.282 1 N-CA-C 100.346 -4.521 . . . . 0.0 100.346 165.525 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1538 ' ' ILE . . . . . 0.413 HG21 HG11 ' A' 1544 ' ' VAL . 8.6 mm -60.42 122.86 70.54 Favored Pre-proline 0 CA--C 1.543 0.683 0 CA-C-N 119.863 1.211 . . . . 0.0 109.595 -168.115 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -62.55 143.76 93.38 Favored 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 121.942 1.761 . . . . 0.0 110.438 177.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 3.8 mp -58.1 148.9 25.04 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 170.298 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 4.9 t70 71.65 -2.14 2.56 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.848 2.059 . . . . 0.0 113.892 -175.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 25.7 m -69.48 135.96 50.85 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 169.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -82.14 136.77 35.1 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 171.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1544 ' ' VAL . . . . . 0.413 HG11 HG21 ' A' 1538 ' ' ILE . 1.6 m -146.55 162.36 9.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 C-N-CA 125.102 1.361 . . . . 0.0 109.094 -170.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 9.0 m -90.1 137.83 32.02 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 104.973 -2.232 . . . . 0.0 104.973 169.244 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -116.56 142.23 47.16 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 125.558 1.543 . . . . 0.0 107.881 177.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1547 ' ' LEU . . . . . 0.464 ' O ' ' HB1' ' A' 1585 ' ' ALA . 0.3 OUTLIER -139.26 128.57 24.11 Favored 'General case' 0 CA--C 1.511 -0.523 0 C-N-CA 124.166 0.986 . . . . 0.0 109.541 -169.339 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 52.7 m -68.4 169.42 10.75 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 106.774 -1.565 . . . . 0.0 106.774 167.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -71.58 12.73 0.32 Allowed 'General case' 0 CA--C 1.552 1.034 0 O-C-N 120.336 -1.477 . . . . 0.0 112.27 176.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 29.1 t0 -144.09 167.53 22.17 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 128.573 2.749 . . . . 0.0 105.747 169.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -52.48 8.44 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 121.06 3.726 . . . . 0.0 121.06 -168.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -67.89 120.4 14.12 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 106.726 -1.583 . . . . 0.0 106.726 169.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -136.08 132.31 35.96 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 124.721 1.208 . . . . 0.0 109.026 -169.58 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 7.2 p -151.88 178.47 9.37 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.325 1.45 . . . . 0.0 109.911 174.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -128.87 155.34 45.39 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 119.465 1.03 . . . . 0.0 110.532 170.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.92 -162.92 24.1 Favored Glycine 0 CA--C 1.53 0.988 0 C-N-CA 126.605 2.05 . . . . 0.0 108.707 -170.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.4 t -129.92 142.63 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 CA-C-N 119.235 1.517 . . . . 0.0 110.099 -172.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 82.1 t -65.08 127.3 25.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 171.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 68.1 mmtt -128.67 11.92 6.27 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 119.149 0.886 . . . . 0.0 111.634 170.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -178.62 179.71 48.66 Favored Glycine 0 CA--C 1.523 0.572 0 CA-C-N 118.798 0.726 . . . . 0.0 112.188 173.117 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 9.3 m80 -140.83 154.28 46.14 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 126.889 2.076 . . . . 0.0 110.86 -173.156 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 -150.14 162.11 41.07 Favored 'General case' 0 N--CA 1.462 0.128 0 C-N-CA 125.438 1.495 . . . . 0.0 107.48 170.279 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 11.0 mmtp -129.0 125.79 38.15 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 105.885 -1.894 . . . . 0.0 105.885 169.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -151.18 140.75 21.64 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 -175.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 35.6 m 50.45 29.77 4.17 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.525 1.13 . . . . 0.0 113.759 177.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 66.16 34.65 88.84 Favored Glycine 0 CA--C 1.533 1.204 0 CA-C-O 119.441 -0.644 . . . . 0.0 112.157 -177.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -138.51 152.43 48.24 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 105.961 -1.866 . . . . 0.0 105.961 176.123 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 38.0 tp -94.19 134.05 37.06 Favored 'General case' 0 N--CA 1.446 -0.671 0 C-N-CA 125.594 1.558 . . . . 0.0 108.114 -176.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -124.48 155.58 38.69 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 125.171 1.388 . . . . 0.0 108.662 -174.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1570 ' ' TYR . . . . . 0.412 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 67.8 m-85 -138.81 127.35 23.19 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 106.013 -1.847 . . . . 0.0 106.013 -175.489 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.1 p -84.18 96.19 8.88 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 104.694 -2.335 . . . . 0.0 104.694 169.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 38.4 mm -78.05 134.51 28.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 105.951 -1.87 . . . . 0.0 105.951 177.039 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -93.88 120.01 33.57 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 105.116 -2.179 . . . . 0.0 105.116 169.031 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -145.23 135.89 24.4 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 105.175 -2.157 . . . . 0.0 105.175 -170.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 51.74 33.57 11.36 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.89 0.876 . . . . 0.0 111.963 -170.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 70.42 18.85 75.66 Favored Glycine 0 CA--C 1.532 1.106 0 O-C-N 121.581 -0.699 . . . . 0.0 113.82 175.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -142.27 158.01 44.19 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.764 1.225 . . . . 0.0 108.597 179.345 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 85.4 mtm-85 -101.04 142.33 32.66 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 118.814 0.734 . . . . 0.0 110.124 -169.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -146.25 132.52 19.5 Favored 'General case' 0 N--CA 1.461 0.076 0 N-CA-C 106.732 -1.581 . . . . 0.0 106.732 -169.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 89.4 m95 -80.79 130.84 35.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 118.738 0.699 . . . . 0.0 109.919 177.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -131.77 162.5 30.36 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 169.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -106.89 165.56 11.24 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.658 1.183 . . . . 0.0 110.119 -175.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 49.4 ttt180 -53.7 -42.22 67.78 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 120.657 1.572 . . . . 0.0 113.273 -174.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 1.4 ppp? -70.83 -21.27 62.47 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 121.005 1.73 . . . . 0.0 112.778 177.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1585 ' ' ALA . . . . . 0.464 ' HB1' ' O ' ' A' 1547 ' ' LEU . . . -88.64 -8.31 54.84 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 124.763 1.225 . . . . 0.0 111.619 176.034 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 82.2 t -116.39 93.03 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 N-CA-C 105.803 -1.925 . . . . 0.0 105.803 -177.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 10.0 pt -110.9 164.03 7.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 -172.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 5.0 mt -110.29 116.81 32.13 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 -176.029 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.73 148.24 10.26 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 169.755 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.5 pp -56.88 -33.64 67.07 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 -168.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -69.71 -36.02 75.55 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.339 -0.851 . . . . 0.0 109.754 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -67.29 -52.62 38.36 Favored 'General case' 0 C--N 1.34 0.187 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 176.397 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -63.27 -28.08 71.69 Favored Glycine 0 C--N 1.34 0.779 0 CA-C-O 119.409 -0.662 . . . . 0.0 111.943 -174.044 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -57.38 -43.27 83.46 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 118.882 1.341 . . . . 0.0 111.694 173.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 29.2 mtt85 -61.59 -17.33 54.69 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 178.401 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.0 mp -99.62 -27.25 13.77 Favored 'General case' 0 C--N 1.34 0.187 0 C-N-CA 124.394 1.078 . . . . 0.0 110.554 176.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 65.9 ttp85 -57.99 -38.31 75.87 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 119.404 1.002 . . . . 0.0 111.349 -177.005 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -58.26 -22.22 51.58 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 118.055 -0.974 . . . . 0.0 113.196 178.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -115.02 -48.16 2.84 Favored 'General case' 0 C--N 1.347 0.458 0 CA-C-N 120.09 1.314 . . . . 0.0 112.067 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.0 m-30 -91.59 -10.51 40.26 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 124.613 1.165 . . . . 0.0 112.072 -170.031 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -52.59 130.89 39.21 Favored Glycine 0 CA--C 1.527 0.84 0 C-N-CA 125.394 1.473 . . . . 0.0 110.648 175.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1602 ' ' LEU . . . . . 0.578 HD22 HD23 ' A' 1534 ' ' LEU . 0.8 OUTLIER -67.26 -48.37 67.91 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 118.73 1.265 . . . . 0.0 109.087 174.48 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.184 0 N-CA-C 109.189 -1.565 . . . . 0.0 109.189 -175.961 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 363' ' ' ARG . . . . . . . . . . . . . 33.4 tpt85 . . . . . 0 N--CA 1.497 1.877 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -81.32 -174.22 4.79 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 107.049 -1.463 . . . . 0.0 107.049 168.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 365' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -154.95 173.95 15.83 Favored 'General case' 0 C--O 1.238 0.492 0 O-C-N 121.249 -0.907 . . . . 0.0 109.821 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 366' ' ' SER . . . . . . . . . . . . . 15.1 m -59.26 173.82 0.46 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.748 1.219 . . . . 0.0 110.653 169.354 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 5.7 m -53.97 -28.26 36.51 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.513 1.125 . . . . 0.0 113.221 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 368' ' ' HIS . . . . . . . . . . . . . 2.7 t60 48.53 -92.88 0.02 OUTLIER 'General case' 0 C--N 1.342 0.245 0 C-N-CA 127.362 2.265 . . . . 0.0 110.9 -171.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 369' ' ' LEU . . . . . 0.443 HD22 HD11 ' A' 1547 ' ' LEU . 28.4 tp -167.64 134.29 2.17 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 105.422 -2.066 . . . . 0.0 105.422 -170.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 370' ' ' MLY . . . . . 0.41 HH12 ' CE3' ' A' 1495 ' ' TRP . . . . . . . . 0 C--N 1.328 -0.365 0 N-CA-C 103.542 -2.762 . . . . 0.0 103.542 169.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 371' ' ' SER . . . . . . . . . . . . . 2.1 p -52.19 -13.19 0.3 Allowed 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 129.043 2.937 . . . . 0.0 115.861 -169.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 372' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -128.97 -62.59 1.0 Allowed 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.254 1.022 . . . . 0.0 109.765 169.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 373' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -60.09 -23.77 64.07 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 114.058 1.132 . . . . 0.0 114.058 -171.376 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 374' ' ' GLY . . . . . . . . . . . . . . . -125.48 29.61 4.71 Favored Glycine 0 CA--C 1.53 0.972 0 C-N-CA 124.922 1.249 . . . . 0.0 111.124 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -140.85 -43.8 0.39 Allowed 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.028 0.931 . . . . 0.0 110.369 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 15.2 m -70.18 -15.36 62.93 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.753 0.821 . . . . 0.0 112.004 172.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 18.5 m . . . . . 0 C--O 1.255 1.349 0 C-N-CA 126.649 1.979 . . . . 0.0 105.763 -176.135 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.78 0 N-CA-C 111.953 -0.459 . . . . 0.0 111.953 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -149.83 168.75 22.84 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 124.893 1.277 . . . . 0.0 109.184 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 47.2 tpp -57.45 146.35 29.86 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.15 0.98 . . . . 0.0 110.173 171.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 55.0 t30 -153.46 163.01 40.69 Favored 'General case' 0 N--CA 1.461 0.106 0 C-N-CA 124.868 1.267 . . . . 0.0 108.933 178.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 16.7 m -65.54 86.91 0.08 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.819 1.248 . . . . 0.0 110.275 173.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 94.4 m-85 69.29 -65.03 0.31 Allowed 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 127.687 2.395 . . . . 0.0 113.876 171.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 4.0 t -57.27 114.91 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 C-N-CA 125.154 1.382 . . . . 0.0 108.969 -175.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 114.04 -20.48 16.84 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 125.18 1.372 . . . . 0.0 112.486 178.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 9.4 mp -74.4 137.84 42.96 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 118.845 1.323 . . . . 0.0 110.376 -174.367 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 91.4 mtm-85 -76.52 126.8 31.62 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 106.457 -1.682 . . . . 0.0 106.457 168.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 17.1 m -146.67 -177.72 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 -173.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 7.6 t -117.89 151.64 19.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 105.25 -2.13 . . . . 0.0 105.25 169.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -150.39 152.78 34.87 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 121.188 -0.945 . . . . 0.0 109.35 -172.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 77.1 tttt -83.11 127.52 33.67 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 178.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 10.9 t-105 -79.76 146.78 32.15 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 169.106 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 1.5 m -65.74 -172.26 0.12 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.913 1.685 . . . . 0.0 113.031 -173.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 13.0 m 55.18 39.7 31.51 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 120.727 -1.233 . . . . 0.0 110.821 -175.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 65.8 t30 48.69 48.1 20.23 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.796 2.038 . . . . 0.0 113.435 -174.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -84.73 178.03 51.26 Favored Glycine 0 CA--C 1.528 0.851 0 CA-C-O 122.476 1.042 . . . . 0.0 113.868 -177.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 10.1 m-30 -73.03 169.76 16.29 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 126.582 1.953 . . . . 0.0 110.101 173.199 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 1.8 m-30 -99.0 110.55 23.15 Favored 'General case' 0 N--CA 1.443 -0.784 0 N-CA-C 105.659 -1.978 . . . . 0.0 105.659 -175.226 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -104.7 155.36 18.94 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.09 1.356 . . . . 0.0 108.063 -174.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 5.1 m -70.13 150.15 46.83 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.708 0.803 . . . . 0.0 110.598 176.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -168.7 -174.47 37.38 Favored Glycine 0 C--N 1.336 0.55 0 N-CA-C 111.343 -0.703 . . . . 0.0 111.343 173.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.36 142.75 51.32 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 171.485 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 16.4 mt -73.54 132.2 33.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 106.217 -1.772 . . . . 0.0 106.217 179.073 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 79.0 p -107.71 -36.88 6.3 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 117.99 0.359 . . . . 0.0 110.607 -169.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -165.92 142.02 5.07 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.947 0.899 . . . . 0.0 110.997 175.153 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 6.9 t70 -69.04 102.17 1.56 Allowed 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 125.571 1.549 . . . . 0.0 107.579 169.098 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.4 t -64.63 -49.81 78.65 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 -176.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 144.39 168.48 12.57 Favored Glycine 0 C--N 1.334 0.469 0 N-CA-C 109.587 -1.405 . . . . 0.0 109.587 173.36 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 60.76 4.83 0.82 Allowed 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 114.787 1.402 . . . . 0.0 114.787 178.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 109.16 -9.33 33.53 Favored Glycine 0 CA--C 1.526 0.73 0 C-N-CA 124.762 1.172 . . . . 0.0 111.109 -173.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -74.93 137.99 42.04 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 120.276 2.038 . . . . 0.0 108.336 170.021 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -128.98 136.68 50.67 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 104.784 -2.302 . . . . 0.0 104.784 169.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 29.6 ttpt -83.75 141.56 31.34 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 177.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.1 mm? -125.21 119.83 29.6 Favored 'General case' 0 CA--C 1.508 -0.646 0 C-N-CA 124.641 1.176 . . . . 0.0 108.336 -170.123 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 29.3 tp -83.66 94.96 8.22 Favored 'General case' 0 CA--C 1.51 -0.58 0 N-CA-C 104.185 -2.524 . . . . 0.0 104.185 169.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -58.17 142.92 45.88 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 171.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -62.25 -23.01 66.43 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 122.661 0.384 . . . . 0.0 111.231 178.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 29.8 t70 -61.79 -20.2 63.34 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.365 1.466 . . . . 0.0 112.72 173.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 116.65 -2.01 20.06 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 126.167 1.841 . . . . 0.0 112.966 170.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -92.28 159.82 15.43 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 124.871 1.268 . . . . 0.0 110.167 -171.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -139.65 117.11 11.37 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 -177.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 51.0 m -144.6 159.24 43.12 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 124.721 1.208 . . . . 0.0 108.45 177.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -73.76 143.92 45.86 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 171.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 98.8 t -139.92 141.03 34.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 N-CA-C 106.494 -1.669 . . . . 0.0 106.494 171.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 5.4 mt -77.65 149.81 34.65 Favored 'General case' 0 CA--C 1.51 -0.596 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.811 177.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -52.45 -40.29 53.91 Favored Glycine 0 C--N 1.335 0.508 0 C-N-CA 124.814 1.197 . . . . 0.0 112.686 -176.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.67 -31.01 64.01 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 117.801 0.8 . . . . 0.0 112.001 177.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -100.45 23.82 9.74 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.525 1.53 . . . . 0.0 112.841 -172.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -126.5 131.05 71.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 104.809 -2.293 . . . . 0.0 104.809 177.461 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 52.3 mt -112.95 110.76 21.05 Favored 'General case' 0 CA--C 1.522 -0.116 0 N-CA-C 104.696 -2.335 . . . . 0.0 104.696 -174.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1534 ' ' LEU . . . . . 0.561 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -106.71 -3.18 20.82 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -168.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 23.3 p -131.83 53.33 2.0 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 105.818 -1.919 . . . . 0.0 105.818 -177.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 50.9 t0 -118.45 57.58 3.04 Favored Pre-proline 0 CA--C 1.542 0.649 0 N-CA-C 117.032 2.234 . . . . 0.0 117.032 -168.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -70.34 121.97 8.51 Favored 'Trans proline' 0 CA--C 1.544 0.98 1 N-CA-C 99.939 -4.677 . . . . 0.0 99.939 165.555 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1538 ' ' ILE . . . . . 0.545 HG21 HG11 ' A' 1544 ' ' VAL . 5.1 mm -59.34 121.26 55.05 Favored Pre-proline 0 N--CA 1.468 0.429 0 CA-C-N 119.523 1.056 . . . . 0.0 109.031 -168.041 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -61.84 144.78 97.13 Favored 'Trans proline' 0 N--CA 1.452 -0.953 0 C-N-CA 121.948 1.766 . . . . 0.0 110.592 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1540 ' ' LEU . . . . . 0.481 ' H ' HD12 ' A' 1540 ' ' LEU . 4.0 mp -59.89 147.84 37.04 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 169.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 23.2 t70 74.2 -4.6 2.26 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 127.002 2.121 . . . . 0.0 113.551 -175.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 20.2 m -68.23 135.07 51.42 Favored 'General case' 0 C--O 1.239 0.526 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 169.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -83.14 135.48 34.79 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 171.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1544 ' ' VAL . . . . . 0.545 HG11 HG21 ' A' 1538 ' ' ILE . 2.4 m -147.67 163.59 6.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 C-N-CA 124.506 1.122 . . . . 0.0 109.207 -171.223 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 7.8 m -87.84 139.94 30.01 Favored 'General case' 0 N--CA 1.442 -0.847 0 N-CA-C 105.406 -2.072 . . . . 0.0 105.406 169.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -108.05 136.79 47.15 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 106.486 -1.672 . . . . 0.0 106.486 171.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -137.45 100.36 4.21 Favored 'General case' 0 CA--C 1.516 -0.346 0 C-N-CA 123.455 0.702 . . . . 0.0 109.824 -169.479 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 13.5 m -61.18 121.95 13.82 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 104.248 -2.501 . . . . 0.0 104.248 168.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -44.68 -30.2 0.89 Allowed 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 126.09 1.756 . . . . 0.0 115.546 -168.27 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 28.4 t70 -68.63 -48.13 64.87 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 118.592 0.633 . . . . 0.0 111.569 -179.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -179.92 -25.82 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 173.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -54.93 121.26 8.27 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 119.168 0.894 . . . . 0.0 111.426 -168.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 10.6 t80 -116.25 129.34 56.23 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 124.828 1.251 . . . . 0.0 110.956 -168.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 2.8 p -151.97 177.62 10.27 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.191 1.396 . . . . 0.0 109.747 170.151 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -135.76 157.03 47.87 Favored 'General case' 0 N--CA 1.466 0.347 0 O-C-N 120.838 -1.164 . . . . 0.0 111.048 172.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.65 -160.95 20.38 Favored Glycine 0 CA--C 1.528 0.885 0 C-N-CA 126.628 2.061 . . . . 0.0 108.773 -171.129 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.9 t -130.12 142.04 44.81 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-N 118.633 1.217 . . . . 0.0 109.591 -173.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 90.4 t -65.85 126.12 24.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 171.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 82.3 mttt -130.44 18.87 5.29 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.458 1.026 . . . . 0.0 111.628 169.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 178.39 179.38 48.29 Favored Glycine 0 C--N 1.337 0.628 0 O-C-N 121.774 -0.579 . . . . 0.0 111.978 171.162 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 9.9 m80 -142.84 155.96 44.87 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 126.181 1.792 . . . . 0.0 110.992 -171.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 50.3 ttt180 -151.26 160.42 43.83 Favored 'General case' 0 N--CA 1.462 0.127 0 C-N-CA 125.309 1.444 . . . . 0.0 107.41 170.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -129.45 126.08 37.91 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 106.372 -1.714 . . . . 0.0 106.372 169.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -150.57 139.11 20.55 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 -174.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 27.8 m 50.26 30.81 4.65 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.343 1.057 . . . . 0.0 113.755 179.035 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 66.69 33.15 83.46 Favored Glycine 0 CA--C 1.531 1.09 0 O-C-N 121.637 -0.665 . . . . 0.0 112.41 -178.05 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -139.38 149.93 44.72 Favored 'General case' 0 C--O 1.237 0.412 0 N-CA-C 106.498 -1.667 . . . . 0.0 106.498 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 44.7 tp -97.06 134.71 40.06 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 124.322 1.049 . . . . 0.0 108.783 -171.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -127.69 158.07 38.59 Favored 'General case' 0 CA--C 1.516 -0.362 0 C-N-CA 125.247 1.419 . . . . 0.0 109.587 -173.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1570 ' ' TYR . . . . . 0.441 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 40.0 m-85 -141.78 129.09 21.12 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 106.63 -1.618 . . . . 0.0 106.63 -172.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.2 p -86.6 98.27 11.0 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 104.921 -2.252 . . . . 0.0 104.921 169.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 41.6 mm -79.98 127.99 38.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 N-CA-C 106.46 -1.681 . . . . 0.0 106.46 178.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -84.85 125.13 32.35 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 104.055 -2.572 . . . . 0.0 104.055 168.229 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 30.8 ttpt -144.74 135.07 24.3 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 105.015 -2.217 . . . . 0.0 105.015 -173.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 53.7 27.26 6.68 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.528 0.731 . . . . 0.0 112.467 -175.026 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 76.26 17.77 79.75 Favored Glycine 0 CA--C 1.532 1.108 0 O-C-N 121.603 -0.685 . . . . 0.0 113.42 176.489 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -140.71 162.23 35.89 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 124.755 1.222 . . . . 0.0 108.339 176.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -101.78 143.57 31.53 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 119.363 0.983 . . . . 0.0 109.917 -170.246 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -144.45 131.7 20.69 Favored 'General case' 0 C--N 1.334 -0.069 0 N-CA-C 106.244 -1.762 . . . . 0.0 106.244 -173.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 90.6 m95 -80.8 130.56 35.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 118.81 0.732 . . . . 0.0 109.91 176.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -133.1 159.5 39.92 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.743 1.217 . . . . 0.0 107.905 169.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 17.0 ptmt -101.36 164.41 11.79 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.647 1.179 . . . . 0.0 109.859 -176.27 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 61.3 ttp85 -42.3 -55.46 3.34 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.651 1.18 . . . . 0.0 113.632 179.019 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -71.1 -12.13 61.33 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 121.095 1.771 . . . . 0.0 114.374 -178.4 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -90.25 -16.29 29.65 Favored 'General case' 0 C--O 1.223 -0.292 0 C-N-CA 124.567 1.147 . . . . 0.0 110.757 171.112 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 62.0 t -109.15 91.04 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.656 0 N-CA-C 104.658 -2.349 . . . . 0.0 104.658 -176.254 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 6.5 pt -118.06 156.49 19.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 114.484 -1.235 . . . . 0.0 107.757 -169.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 3.4 mt -105.57 118.19 35.94 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 -170.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.33 145.61 21.6 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 106.33 -1.73 . . . . 0.0 106.33 169.533 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.7 pp -54.33 -35.39 62.64 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.568 1.076 . . . . 0.0 113.352 -169.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 30.3 tp10 -67.73 -39.23 84.28 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 121.682 -0.636 . . . . 0.0 110.183 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -63.19 -51.98 64.13 Favored 'General case' 0 C--O 1.225 -0.236 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 174.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -59.39 -33.43 76.03 Favored Glycine 0 C--N 1.338 0.675 0 C-N-CA 124.185 0.898 . . . . 0.0 112.243 -175.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -57.72 -45.52 85.65 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 118.436 1.118 . . . . 0.0 111.196 176.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 18.7 mtt-85 -62.36 -19.39 63.32 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.065 0.546 . . . . 0.0 112.324 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.1 mp -94.26 -29.66 14.95 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.04 0.936 . . . . 0.0 110.398 173.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -56.4 -38.77 71.96 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.713 1.205 . . . . 0.0 112.049 -175.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -59.23 -21.18 59.15 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 118.189 -0.91 . . . . 0.0 113.382 177.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -114.36 -48.03 2.9 Favored 'General case' 0 C--N 1.347 0.491 0 CA-C-N 119.987 1.267 . . . . 0.0 112.046 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 9.1 m-30 -90.78 -11.07 40.58 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 124.421 1.088 . . . . 0.0 112.358 -170.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -53.57 131.51 43.13 Favored Glycine 0 CA--C 1.529 0.933 0 C-N-CA 125.396 1.474 . . . . 0.0 110.378 176.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1602 ' ' LEU . . . . . 0.561 HD22 HD23 ' A' 1534 ' ' LEU . 1.0 OUTLIER -65.08 -42.47 94.07 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 118.187 0.993 . . . . 0.0 109.679 174.428 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.373 0 N-CA-C 109.291 -1.524 . . . . 0.0 109.291 -173.646 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 363' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 120.778 0.323 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -131.58 142.89 50.0 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 105.523 -2.029 . . . . 0.0 105.523 168.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 365' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -69.81 170.71 10.5 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.54 0.736 . . . . 0.0 110.52 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 366' ' ' SER . . . . . . . . . . . . . 20.2 m -54.72 168.56 0.27 Allowed 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.53 1.132 . . . . 0.0 112.09 170.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 6.0 m -56.94 -27.61 61.28 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 -174.292 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 368' ' ' HIS . . . . . . . . . . . . . 71.2 t60 45.9 -111.35 0.29 Allowed 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.182 1.393 . . . . 0.0 109.671 -174.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 16.4 tp -145.6 139.0 26.36 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 106.646 -1.613 . . . . 0.0 106.646 -178.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 370' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.303 0 C-N-CA 126.979 2.112 . . . . 0.0 105.483 175.555 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 371' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -24.71 -55.13 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 130.551 3.54 . . . . 0.0 115.911 -169.656 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 372' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -132.55 8.66 4.25 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.401 0.68 . . . . 0.0 112.823 -178.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 373' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -65.74 -43.39 89.15 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 121.487 -0.758 . . . . 0.0 109.593 174.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 374' ' ' GLY . . . . . . . . . . . . . . . -170.91 31.93 0.14 Allowed Glycine 0 CA--C 1.529 0.923 0 CA-C-O 119.403 -0.665 . . . . 0.0 112.601 -178.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -133.74 19.25 3.86 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.66 1.184 . . . . 0.0 110.885 -177.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 4.6 m -66.51 -18.16 65.21 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.552 1.141 . . . . 0.0 113.118 -174.268 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 15.1 m . . . . . 0 C--O 1.253 1.252 0 C-N-CA 125.879 1.671 . . . . 0.0 106.508 -175.151 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.522 0 N-CA-C 112.095 -0.402 . . . . 0.0 112.095 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 12.7 t60 -151.41 167.43 27.98 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.879 1.272 . . . . 0.0 108.972 177.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 97.3 mmm -63.31 159.85 17.14 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.773 0.829 . . . . 0.0 110.51 172.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 50.0 t30 -149.28 158.81 44.49 Favored 'General case' 0 N--CA 1.462 0.149 0 C-N-CA 125.324 1.449 . . . . 0.0 108.595 176.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 18.5 m -64.59 95.42 0.14 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.252 1.021 . . . . 0.0 109.989 176.147 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 95.0 m-85 67.0 -65.1 0.23 Allowed 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 127.772 2.429 . . . . 0.0 114.074 172.098 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 6.4 t -57.04 114.51 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.556 0 C-N-CA 125.679 1.592 . . . . 0.0 108.806 -176.227 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 115.18 -22.5 12.2 Favored Glycine 0 CA--C 1.531 1.092 0 C-N-CA 125.127 1.346 . . . . 0.0 112.826 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 9.1 mp -74.23 140.48 45.08 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.749 1.274 . . . . 0.0 111.022 -174.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 54.4 mtp180 -81.65 126.71 32.09 Favored 'General case' 0 C--O 1.23 0.048 0 N-CA-C 105.801 -1.926 . . . . 0.0 105.801 168.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 15.9 m -143.77 -175.18 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 C-N-CA 125.139 1.376 . . . . 0.0 107.96 -173.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.7 t -121.41 145.75 27.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 105.661 -1.977 . . . . 0.0 105.661 170.316 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -147.4 152.42 38.13 Favored 'General case' 0 CA--C 1.519 -0.247 0 C-N-CA 124.18 0.992 . . . . 0.0 109.692 -169.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 78.0 tttt -83.81 130.38 34.93 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 107.618 -1.252 . . . . 0.0 107.618 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 20.8 t-105 -75.18 138.15 41.79 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 169.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 1.3 m -61.45 -23.48 65.88 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 118.061 2.615 . . . . 0.0 118.061 -168.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 7.0 m -76.76 45.26 0.41 Allowed 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 121.121 1.782 . . . . 0.0 111.77 179.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 66.9 t30 46.77 43.56 13.18 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.033 1.733 . . . . 0.0 110.96 -169.251 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -89.19 -178.77 45.7 Favored Glycine 0 C--N 1.337 0.609 0 CA-C-O 122.353 0.974 . . . . 0.0 113.363 -169.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 10.1 m-30 -69.38 167.94 15.46 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 126.254 1.822 . . . . 0.0 109.923 170.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -94.49 107.98 19.94 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 105.225 -2.139 . . . . 0.0 105.225 -177.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -97.65 149.23 22.49 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -176.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 4.3 m -69.85 148.55 48.93 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.441 0.696 . . . . 0.0 109.772 175.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -173.16 -174.64 40.38 Favored Glycine 0 C--N 1.334 0.441 0 O-C-N 121.477 -0.764 . . . . 0.0 112.165 -177.08 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -129.92 129.22 43.59 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 125.919 1.687 . . . . 0.0 107.085 -172.542 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 23.3 mt -73.21 130.81 35.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 106.795 -1.558 . . . . 0.0 106.795 179.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 58.6 p -107.43 -35.78 6.67 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 123.231 0.613 . . . . 0.0 110.727 -170.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -167.81 141.47 3.41 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.744 0.818 . . . . 0.0 111.298 175.79 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 6.8 t0 -68.93 102.94 1.69 Allowed 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 124.994 1.318 . . . . 0.0 107.712 168.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.6 t -65.59 -50.84 69.24 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 -175.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 149.5 163.19 10.87 Favored Glycine 0 C--N 1.34 0.764 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 178.098 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.74 10.7 0.77 Allowed 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 115.205 1.558 . . . . 0.0 115.205 177.092 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 104.06 -5.92 46.6 Favored Glycine 0 C--N 1.337 0.621 0 C-N-CA 124.831 1.205 . . . . 0.0 111.53 -176.318 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 10.8 mtpp -74.94 135.31 41.41 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 120.36 2.08 . . . . 0.0 106.816 170.003 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -126.24 136.85 53.3 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 105.09 -2.189 . . . . 0.0 105.09 169.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -83.04 137.93 33.93 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 177.178 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.2 mm? -124.51 118.41 26.53 Favored 'General case' 0 CA--C 1.511 -0.543 0 C-N-CA 125.167 1.387 . . . . 0.0 108.387 -169.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 31.2 tp -83.79 93.45 7.97 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 104.353 -2.462 . . . . 0.0 104.353 168.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -56.14 146.91 21.72 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 172.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -66.86 -20.75 65.98 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.624 -171.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 36.3 p-10 -78.84 2.74 18.97 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.806 1.243 . . . . 0.0 113.29 171.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 105.34 -5.99 41.88 Favored Glycine 0 CA--C 1.532 1.108 0 C-N-CA 125.442 1.496 . . . . 0.0 114.992 169.083 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -85.11 157.06 20.79 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 118.326 1.063 . . . . 0.0 110.215 -172.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -139.07 117.66 12.17 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 -174.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 62.1 m -143.6 161.38 38.66 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 125.16 1.384 . . . . 0.0 108.141 176.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -85.0 142.24 29.75 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 171.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 80.4 t -142.19 137.7 29.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 N-CA-C 107.486 -1.301 . . . . 0.0 107.486 -178.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.7 mt -74.25 152.66 39.66 Favored 'General case' 0 C--O 1.22 -0.471 0 C-N-CA 123.16 0.584 . . . . 0.0 111.954 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -57.73 -38.07 86.54 Favored Glycine 0 C--N 1.335 0.501 0 C-N-CA 124.317 0.96 . . . . 0.0 112.629 -176.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -20.12 58.48 Favored 'General case' 0 C--O 1.223 -0.332 0 O-C-N 121.884 -0.774 . . . . 0.0 112.451 175.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -104.9 21.5 16.9 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.411 1.484 . . . . 0.0 111.892 -175.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -132.59 137.24 54.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 N-CA-C 106.308 -1.738 . . . . 0.0 106.308 -179.187 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 54.9 mt -117.2 114.99 24.45 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 127.313 2.245 . . . . 0.0 105.154 -176.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1534 ' ' LEU . . . . . 0.555 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -110.55 -4.64 15.38 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 116.475 2.028 . . . . 0.0 116.475 -169.101 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 24.5 p -131.57 52.18 2.09 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 106.185 -1.783 . . . . 0.0 106.185 -177.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 52.6 t0 -115.78 65.01 2.42 Favored Pre-proline 0 CA--C 1.537 0.45 0 N-CA-C 116.609 2.077 . . . . 0.0 116.609 -168.35 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -72.46 119.19 5.97 Favored 'Trans proline' 0 CA--C 1.547 1.146 1 N-CA-C 101.015 -4.263 . . . . 0.0 101.015 166.02 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1538 ' ' ILE . . . . . 0.478 HG21 HG11 ' A' 1544 ' ' VAL . 9.9 mm -58.62 120.15 42.78 Favored Pre-proline 0 CA--C 1.538 0.491 0 CA-C-O 118.211 -0.899 . . . . 0.0 108.898 -168.615 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -61.9 144.09 96.25 Favored 'Trans proline' 0 N--CA 1.451 -1.006 0 C-N-CA 121.892 1.728 . . . . 0.0 110.393 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1540 ' ' LEU . . . . . 0.411 ' H ' HD12 ' A' 1540 ' ' LEU . 4.0 mp -59.65 148.15 34.82 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 169.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 18.5 t70 74.14 -3.6 2.49 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.723 2.009 . . . . 0.0 113.686 -175.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 20.5 m -70.79 134.61 47.54 Favored 'General case' 0 C--O 1.239 0.501 0 O-C-N 120.931 -1.106 . . . . 0.0 108.191 170.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -77.15 136.23 38.59 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 169.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1544 ' ' VAL . . . . . 0.478 HG11 HG21 ' A' 1538 ' ' ILE . 1.6 m -147.79 163.65 6.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 124.551 1.141 . . . . 0.0 109.799 -175.796 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 8.7 m -88.69 143.88 26.64 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 105.984 -1.858 . . . . 0.0 105.984 169.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -119.08 140.67 49.7 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 125.609 1.563 . . . . 0.0 107.317 175.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1547 ' ' LEU . . . . . 0.623 HD11 HD22 ' B' ' 369' ' ' LEU . 0.3 OUTLIER -139.0 117.12 11.76 Favored 'General case' 0 CA--C 1.517 -0.326 0 C-N-CA 123.786 0.834 . . . . 0.0 110.098 -169.524 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 20.1 m -65.19 150.92 47.35 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 168.414 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -67.92 15.32 0.05 OUTLIER 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 126.316 1.847 . . . . 0.0 114.798 -169.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 36.0 t70 -123.49 -57.47 1.66 Allowed 'General case' 0 CA--C 1.532 0.277 0 O-C-N 121.114 -0.991 . . . . 0.0 111.094 178.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -167.17 -21.51 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 114.968 1.47 . . . . 0.0 114.968 169.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -55.84 122.71 12.12 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 118.755 0.707 . . . . 0.0 110.058 -170.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 1.4 t80 -121.14 131.98 54.58 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 125.334 1.454 . . . . 0.0 109.964 -168.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 2.2 p -152.09 177.89 10.03 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.692 1.597 . . . . 0.0 109.026 173.084 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -134.95 157.15 47.65 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 120.941 -1.099 . . . . 0.0 111.054 173.383 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.09 -160.11 17.61 Favored Glycine 0 CA--C 1.528 0.886 0 C-N-CA 126.686 2.088 . . . . 0.0 108.925 -172.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.9 t -130.95 143.58 40.42 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-N 118.481 1.14 . . . . 0.0 109.802 -174.158 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 58.0 t -66.3 127.01 26.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 174.268 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -132.71 20.43 4.23 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 119.132 0.878 . . . . 0.0 111.79 173.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 172.98 179.58 43.76 Favored Glycine 0 C--N 1.332 0.339 0 N-CA-C 111.044 -0.823 . . . . 0.0 111.044 169.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 9.8 m80 -141.55 155.09 45.8 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 126.262 1.825 . . . . 0.0 111.147 -174.471 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 46.0 ttt180 -150.31 161.86 41.64 Favored 'General case' 0 N--CA 1.46 0.072 0 C-N-CA 125.7 1.6 . . . . 0.0 107.167 171.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -131.13 124.52 30.89 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 106.271 -1.752 . . . . 0.0 106.271 170.035 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -150.5 140.23 21.73 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 -173.141 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 30.5 m 50.48 29.41 3.95 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.551 1.14 . . . . 0.0 113.56 178.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 67.46 34.26 84.08 Favored Glycine 0 CA--C 1.533 1.171 0 O-C-N 121.807 -0.558 . . . . 0.0 112.075 -178.027 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -140.34 152.01 45.47 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 106.671 -1.603 . . . . 0.0 106.671 177.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 36.6 tp -95.14 135.48 36.65 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 125.024 1.33 . . . . 0.0 108.428 -172.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -127.76 157.42 40.42 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 125.327 1.451 . . . . 0.0 109.386 -173.15 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -142.57 125.69 16.36 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 105.203 -2.147 . . . . 0.0 105.203 -170.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.1 p -85.88 92.18 8.57 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 105.459 -2.052 . . . . 0.0 105.459 170.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 43.0 mm -74.57 129.14 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -82.85 122.21 27.94 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 103.715 -2.698 . . . . 0.0 103.715 168.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -144.28 137.67 27.4 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 104.864 -2.273 . . . . 0.0 104.864 -176.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 54.18 27.51 7.86 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.556 0.742 . . . . 0.0 112.305 -174.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 81.67 12.24 81.87 Favored Glycine 0 CA--C 1.532 1.122 0 CA-C-O 119.017 -0.88 . . . . 0.0 113.607 175.059 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -143.35 154.58 43.89 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 118.563 1.181 . . . . 0.0 109.485 -178.006 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 77.5 mtm180 -84.63 145.17 28.14 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 121.096 -1.002 . . . . 0.0 110.214 -176.115 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.4 tmtm? -143.57 131.15 21.18 Favored 'General case' 0 C--O 1.227 -0.114 0 C-N-CA 126.441 1.896 . . . . 0.0 106.0 -176.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 90.3 m95 -80.57 131.23 35.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 119.008 0.822 . . . . 0.0 109.936 178.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -133.41 162.88 30.65 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.472 1.509 . . . . 0.0 107.451 169.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -110.05 167.65 10.02 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.781 1.232 . . . . 0.0 110.695 -174.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 21.1 ttp180 -51.69 -45.82 63.64 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 120.796 -1.19 . . . . 0.0 114.076 -174.033 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 2.0 ppp? -72.02 -19.21 61.89 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 120.633 1.56 . . . . 0.0 113.008 177.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -85.49 -13.25 49.68 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 118.145 -0.931 . . . . 0.0 111.2 175.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 67.2 t -113.29 92.07 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 N-CA-C 105.948 -1.871 . . . . 0.0 105.948 -175.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 12.7 pt -109.93 161.71 8.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 -174.524 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 4.6 mt -108.32 123.63 49.11 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 -171.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.25 137.52 58.11 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 106.014 -1.847 . . . . 0.0 106.014 168.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 3.1 pp -54.56 -36.14 64.02 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -169.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -62.28 -39.6 93.49 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.617 -0.677 . . . . 0.0 109.801 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 42.9 mm-40 -75.98 -45.64 33.74 Favored 'General case' 0 C--O 1.222 -0.353 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 -178.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -60.33 -29.68 69.49 Favored Glycine 0 CA--C 1.524 0.634 0 C-N-CA 123.724 0.678 . . . . 0.0 111.864 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -58.15 -39.93 80.09 Favored 'General case' 0 N--CA 1.464 0.243 0 O-C-N 121.373 -1.075 . . . . 0.0 112.275 173.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -59.97 -21.81 61.71 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 119.029 0.832 . . . . 0.0 111.725 177.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 7.5 mp -96.25 -26.89 15.25 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 124.568 1.147 . . . . 0.0 110.738 178.092 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 65.2 ttp85 -56.28 -39.31 72.46 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 119.799 1.181 . . . . 0.0 111.718 -177.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -59.29 -20.32 53.42 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 178.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -114.58 -48.87 2.84 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-N 119.893 1.224 . . . . 0.0 111.893 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.1 m-30 -91.49 -9.56 44.01 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.66 1.184 . . . . 0.0 112.34 -169.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -54.44 131.39 46.12 Favored Glycine 0 CA--C 1.527 0.818 0 C-N-CA 125.402 1.477 . . . . 0.0 111.018 177.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1602 ' ' LEU . . . . . 0.555 HD22 HD23 ' A' 1534 ' ' LEU . 0.8 OUTLIER -66.34 -44.78 82.32 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 118.53 1.165 . . . . 0.0 109.784 174.543 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.272 0 CA-C-O 118.087 -1.396 . . . . 0.0 109.918 -173.583 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 363' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 . . . . . 0 N--CA 1.496 1.858 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -69.64 -45.8 67.63 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.837 -0.539 . . . . 0.0 110.132 178.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 365' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -161.25 168.52 23.93 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.232 1.813 . . . . 0.0 107.731 177.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 366' ' ' SER . . . . . . . . . . . . . 68.5 m -68.68 179.46 1.73 Allowed 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.107 0.563 . . . . 0.0 110.901 169.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 5.4 m -55.52 -25.99 40.44 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.596 1.158 . . . . 0.0 113.604 178.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 368' ' ' HIS . . . . . . . . . . . . . 3.1 t60 49.79 -96.77 0.04 OUTLIER 'General case' 0 C--N 1.342 0.263 0 C-N-CA 126.75 2.02 . . . . 0.0 110.749 -169.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 369' ' ' LEU . . . . . 0.623 HD22 HD11 ' A' 1547 ' ' LEU . 34.9 tp -160.53 151.36 18.7 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 119.241 0.928 . . . . 0.0 109.246 -170.045 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 370' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.536 0 N-CA-C 104.643 -2.354 . . . . 0.0 104.643 168.608 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 371' ' ' SER . . . . . . . . . . . . . 2.3 p -103.37 19.94 18.75 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.188 0.995 . . . . 0.0 111.4 -169.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 372' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -59.86 159.45 9.0 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 107.942 -1.132 . . . . 0.0 107.942 169.002 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 373' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -54.34 -38.84 66.49 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.644 -0.66 . . . . 0.0 112.584 -174.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 374' ' ' GLY . . . . . . . . . . . . . . . -89.5 -7.0 69.85 Favored Glycine 0 CA--C 1.531 1.041 0 CA-C-O 119.487 -0.619 . . . . 0.0 113.881 -178.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 47.76 40.91 13.19 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.925 1.69 . . . . 0.0 111.752 -169.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 29.4 p -149.49 168.21 24.1 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.114 1.366 . . . . 0.0 110.109 -175.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 99.4 m . . . . . 0 C--O 1.255 1.367 0 N-CA-C 105.513 -2.032 . . . . 0.0 105.513 173.833 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.734 0 N-CA-C 111.786 -0.526 . . . . 0.0 111.786 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -150.08 166.89 28.39 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 124.71 1.204 . . . . 0.0 109.028 178.207 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 97.6 mmm -63.7 152.38 39.3 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.205 1.002 . . . . 0.0 109.962 173.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 63.3 t30 -66.85 159.27 28.54 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.884 -0.143 . . . . 0.0 110.621 172.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 16.5 m -67.73 85.95 0.21 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.035 1.334 . . . . 0.0 110.112 174.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 91.4 m-85 69.45 -62.06 0.42 Allowed 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 127.871 2.468 . . . . 0.0 113.977 170.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 6.7 t -58.36 115.85 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 C-N-CA 125.382 1.473 . . . . 0.0 108.602 -174.164 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 111.76 -19.87 23.02 Favored Glycine 0 CA--C 1.532 1.11 0 C-N-CA 125.279 1.418 . . . . 0.0 112.807 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 9.7 mp -75.6 137.68 40.94 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 118.932 1.366 . . . . 0.0 110.465 -172.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 54.2 mtm180 -77.25 126.86 31.62 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 106.318 -1.734 . . . . 0.0 106.318 168.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 19.7 m -147.49 -175.81 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 125.627 1.571 . . . . 0.0 107.674 -172.238 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 3.5 t -122.13 144.22 32.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 106.044 -1.835 . . . . 0.0 106.044 171.068 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -146.79 152.88 39.48 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 124.46 1.104 . . . . 0.0 109.033 -169.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 77.7 tttt -83.83 129.74 34.93 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 179.502 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1495 ' ' TRP . . . . . 0.495 ' CE3' HH12 ' B' ' 370' ' ' MLY . 23.2 t-105 -73.19 137.96 45.38 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 169.559 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 1.4 m -63.31 -21.15 66.08 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 118.162 2.653 . . . . 0.0 118.162 -168.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 9.2 m -76.97 47.59 0.54 Allowed 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 121.382 1.901 . . . . 0.0 111.678 177.271 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 66.0 t30 44.78 44.4 7.63 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.223 1.809 . . . . 0.0 111.316 -169.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -89.69 -178.26 45.17 Favored Glycine 0 C--N 1.341 0.812 0 CA-C-O 122.302 0.946 . . . . 0.0 113.679 -169.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 9.7 m-30 -72.57 168.61 18.26 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 125.778 1.631 . . . . 0.0 109.489 169.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 2.2 m-30 -94.16 108.21 20.09 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 105.533 -2.025 . . . . 0.0 105.533 -174.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -98.66 155.5 17.29 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.51 1.124 . . . . 0.0 108.311 -176.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 14.8 m -78.89 148.7 32.65 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.975 -0.453 . . . . 0.0 110.323 178.025 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -170.97 -179.5 42.2 Favored Glycine 0 CA--C 1.522 0.499 0 O-C-N 122.012 -0.43 . . . . 0.0 112.16 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.57 137.23 52.14 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 106.554 -1.647 . . . . 0.0 106.554 178.005 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 15.1 mt -72.02 135.7 27.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 106.428 -1.693 . . . . 0.0 106.428 173.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 60.7 p -111.24 -37.7 5.23 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 123.061 0.544 . . . . 0.0 110.877 -170.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -165.12 142.0 5.81 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.715 0.806 . . . . 0.0 111.058 174.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 7.3 t70 -69.31 102.27 1.69 Allowed 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.943 1.297 . . . . 0.0 108.086 169.341 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -65.35 -49.67 77.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 -175.585 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 145.96 164.94 11.15 Favored Glycine 0 C--N 1.34 0.803 0 N-CA-C 109.894 -1.282 . . . . 0.0 109.894 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 59.24 7.22 0.85 Allowed 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 114.951 1.463 . . . . 0.0 114.951 178.049 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 105.65 -7.53 42.46 Favored Glycine 0 C--O 1.22 -0.726 0 C-N-CA 124.487 1.041 . . . . 0.0 111.443 -173.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -75.45 137.44 40.96 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 120.099 1.949 . . . . 0.0 107.65 169.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -127.66 139.63 52.6 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 104.614 -2.365 . . . . 0.0 104.614 169.334 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 12.7 ttpp -86.2 141.54 29.25 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 178.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1517 ' ' LEU . . . . . 0.427 HD21 HD13 ' A' 1532 ' ' ILE . 3.2 mm? -125.06 118.98 27.38 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -169.757 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 38.1 tp -82.37 92.67 7.04 Favored 'General case' 0 CA--C 1.511 -0.528 0 N-CA-C 103.868 -2.641 . . . . 0.0 103.868 169.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -56.95 146.11 27.92 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 170.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -65.05 -19.33 65.94 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -169.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 36.6 p-10 -79.24 -0.75 33.42 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.145 1.378 . . . . 0.0 113.283 173.113 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 108.75 -5.82 32.9 Favored Glycine 0 CA--C 1.532 1.107 0 C-N-CA 125.497 1.522 . . . . 0.0 114.298 169.2 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -80.2 155.38 27.41 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 118.114 0.957 . . . . 0.0 110.362 -174.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -139.7 122.26 16.25 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 124.599 1.16 . . . . 0.0 109.13 176.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 99.9 m -141.09 162.93 34.32 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 125.595 1.558 . . . . 0.0 107.614 170.01 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -74.52 142.66 44.77 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 170.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 96.4 t -139.38 135.95 40.84 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.237 0 N-CA-C 106.902 -1.518 . . . . 0.0 106.902 172.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 7.7 mt -72.81 149.78 43.32 Favored 'General case' 0 C--O 1.218 -0.554 0 C-N-CA 123.381 0.672 . . . . 0.0 111.284 178.2 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -57.99 -34.04 70.97 Favored Glycine 0 CA--C 1.522 0.52 0 CA-C-O 119.434 -0.648 . . . . 0.0 113.621 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1530 ' ' LYS . . . . . . . . . . . . 0.25 0.0 OUTLIER -71.39 8.43 1.05 Allowed 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 118.66 1.23 . . . . 0.0 112.919 172.477 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -129.76 22.85 5.4 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.209 1.803 . . . . 0.0 111.792 175.056 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1532 ' ' ILE . . . . . 0.427 HD13 HD21 ' A' 1517 ' ' LEU . 1.9 mt -132.06 140.72 47.25 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 O-C-N 120.625 -1.297 . . . . 0.0 107.881 176.774 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 73.5 mt -119.96 117.71 28.77 Favored 'General case' 0 C--O 1.227 -0.087 0 C-N-CA 127.783 2.433 . . . . 0.0 104.562 -178.133 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1534 ' ' LEU . . . . . 0.503 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -113.15 -4.16 13.83 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 116.712 2.116 . . . . 0.0 116.712 -169.289 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 24.8 p -131.62 51.83 2.11 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 105.72 -1.956 . . . . 0.0 105.72 -178.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 50.2 t0 -117.82 59.87 3.23 Favored Pre-proline 0 CA--C 1.538 0.486 0 N-CA-C 116.326 1.973 . . . . 0.0 116.326 -168.25 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -70.8 120.82 7.36 Favored 'Trans proline' 0 CA--C 1.543 0.973 1 N-CA-C 100.198 -4.578 . . . . 0.0 100.198 165.656 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 11.5 mm -59.14 123.41 69.42 Favored Pre-proline 0 CA--C 1.537 0.471 0 CA-C-N 119.065 0.848 . . . . 0.0 109.24 -168.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -60.4 143.87 99.49 Favored 'Trans proline' 0 N--CA 1.449 -1.099 0 C-N-CA 121.939 1.76 . . . . 0.0 110.311 177.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1540 ' ' LEU . . . . . 0.505 ' H ' HD12 ' A' 1540 ' ' LEU . 4.1 mp -59.44 147.82 35.09 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 169.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 23.0 t70 75.96 -5.93 2.08 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 127.343 2.257 . . . . 0.0 113.5 -175.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 19.0 m -68.93 135.8 51.57 Favored 'General case' 0 C--N 1.343 0.318 0 O-C-N 120.835 -1.166 . . . . 0.0 108.243 170.066 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -78.5 138.44 38.43 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 170.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 1.8 m -146.46 160.65 10.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 C-N-CA 124.546 1.138 . . . . 0.0 109.572 -175.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 8.8 m -90.23 132.35 35.55 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 105.563 -2.014 . . . . 0.0 105.563 169.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -100.68 146.26 27.41 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 169.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1547 ' ' LEU . . . . . 0.684 HD11 HD22 ' B' ' 369' ' ' LEU . 3.9 mt -138.45 102.92 4.75 Favored 'General case' 0 CA--C 1.511 -0.539 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 -179.157 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 1.3 m -61.66 139.19 58.32 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 105.18 -2.156 . . . . 0.0 105.18 168.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -49.7 14.72 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.851 1 C-N-CA 132.118 4.167 . . . . 0.0 119.728 -168.653 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 26.9 t70 -119.93 -70.79 0.77 Allowed 'General case' 0 C--O 1.233 0.23 0 CA-C-N 119.741 1.155 . . . . 0.0 109.285 171.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -162.57 25.55 0.1 Allowed 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 119.205 0.911 . . . . 0.0 113.125 170.354 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -84.16 73.42 10.42 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 120.743 -1.223 . . . . 0.0 109.783 -174.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 18.4 t80 -60.38 128.89 38.92 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 125.723 1.609 . . . . 0.0 110.328 171.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 2.9 p -152.66 177.63 10.47 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.323 1.849 . . . . 0.0 108.121 169.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -139.84 157.36 45.84 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 120.684 1.584 . . . . 0.0 111.699 173.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -172.84 -160.15 20.86 Favored Glycine 0 CA--C 1.525 0.705 0 C-N-CA 126.402 1.953 . . . . 0.0 108.82 -172.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.0 t -131.1 142.64 43.02 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.378 0 CA-C-N 118.612 1.206 . . . . 0.0 109.085 -173.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 79.3 t -64.69 125.81 22.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 172.235 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 83.0 mttt -130.56 19.66 5.19 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 119.304 0.956 . . . . 0.0 111.72 170.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 177.11 179.59 47.54 Favored Glycine 0 CA--C 1.525 0.702 0 O-C-N 121.778 -0.576 . . . . 0.0 111.956 170.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 8.5 m80 -142.67 153.56 43.52 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 126.295 1.838 . . . . 0.0 111.221 -171.109 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -148.64 162.62 39.34 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 125.617 1.567 . . . . 0.0 107.347 170.057 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -129.88 127.87 41.07 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 106.405 -1.702 . . . . 0.0 106.405 169.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -150.47 141.37 22.88 Favored 'General case' 0 CA--C 1.522 -0.134 0 N-CA-C 107.791 -1.188 . . . . 0.0 107.791 -175.31 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 24.4 m 50.99 30.35 5.25 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.144 0.978 . . . . 0.0 113.371 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 67.92 32.07 76.64 Favored Glycine 0 CA--C 1.531 1.033 0 CA-C-O 119.436 -0.646 . . . . 0.0 112.182 -178.161 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -143.95 154.25 43.11 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 118.878 1.339 . . . . 0.0 107.873 -178.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 33.9 tp -93.01 140.27 29.65 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 124.257 1.023 . . . . 0.0 109.807 -169.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -129.97 158.22 40.17 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 125.657 1.583 . . . . 0.0 108.745 -176.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -141.15 130.21 23.31 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 -173.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.55 95.55 10.08 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 104.955 -2.239 . . . . 0.0 104.955 169.505 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 38.2 mm -78.32 128.05 38.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 N-CA-C 106.405 -1.702 . . . . 0.0 106.405 178.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -84.45 119.8 25.56 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 103.656 -2.72 . . . . 0.0 103.656 168.159 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 23.9 ttpt -142.2 132.75 25.28 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 105.027 -2.212 . . . . 0.0 105.027 -170.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 51.94 28.05 4.86 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.543 0.737 . . . . 0.0 112.719 -174.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 78.43 18.91 75.11 Favored Glycine 0 CA--C 1.531 1.051 0 CA-C-O 119.263 -0.743 . . . . 0.0 113.116 176.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -135.69 147.68 48.6 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 118.461 1.13 . . . . 0.0 108.745 175.234 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -82.75 138.35 34.07 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 176.057 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -142.46 130.71 22.14 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 106.173 -1.788 . . . . 0.0 106.173 -173.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 87.7 m95 -80.41 129.34 34.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 118.507 0.594 . . . . 0.0 109.444 178.259 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -131.51 161.55 32.32 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.986 1.314 . . . . 0.0 107.972 169.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -104.8 166.69 10.22 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.892 1.277 . . . . 0.0 110.097 -176.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 19.1 ttp180 -50.64 -44.67 57.51 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 -177.2 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 2.2 ppp? -74.38 -18.15 60.71 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 121.735 2.061 . . . . 0.0 113.173 177.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -86.49 -8.3 57.69 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 118.311 -0.852 . . . . 0.0 111.174 174.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 92.2 t -119.57 97.21 4.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 -177.409 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 9.6 pt -113.91 164.41 10.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 -173.519 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 10.1 mt -110.41 124.82 52.44 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 -175.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.44 143.58 39.81 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 169.303 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 3.3 pp -56.88 -34.08 67.51 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.288 0.949 . . . . 0.0 112.3 -169.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -67.07 -36.17 81.42 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.944 -0.472 . . . . 0.0 110.424 179.228 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -69.27 -50.08 50.15 Favored 'General case' 0 C--O 1.225 -0.229 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 175.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -56.68 -32.99 62.17 Favored Glycine 0 C--N 1.337 0.625 0 C-N-CA 123.725 0.679 . . . . 0.0 112.503 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -59.37 -43.49 92.87 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 118.235 1.017 . . . . 0.0 111.53 175.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 -64.91 -12.18 46.31 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.766 0.827 . . . . 0.0 111.702 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 9.1 mp -103.94 -23.41 13.36 Favored 'General case' 0 C--N 1.343 0.295 0 C-N-CA 124.881 1.272 . . . . 0.0 111.329 176.211 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 51.2 mtm180 -55.95 -38.63 70.61 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 121.24 1.836 . . . . 0.0 111.067 178.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -57.87 -22.32 47.57 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-O 118.057 -0.973 . . . . 0.0 113.334 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -116.74 -47.68 2.7 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-N 120.013 1.279 . . . . 0.0 112.468 176.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.0 m-30 -93.38 -7.72 43.87 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 124.057 0.943 . . . . 0.0 112.17 -169.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -57.93 131.27 51.97 Favored Glycine 0 CA--C 1.523 0.591 0 C-N-CA 124.938 1.256 . . . . 0.0 110.551 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1602 ' ' LEU . . . . . 0.503 HD22 HD23 ' A' 1534 ' ' LEU . 0.5 OUTLIER -66.05 -48.8 69.87 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 173.68 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.258 0 CA-C-N 113.737 -1.574 . . . . 0.0 110.264 -169.397 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 363' ' ' ARG . . . . . . . . . . . . . 9.5 ptt-85 . . . . . 0 N--CA 1.495 1.814 0 CA-C-O 120.363 0.125 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -69.24 128.58 37.12 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 169.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 365' ' ' HIS . . . . . . . . . . . . . 19.3 t60 58.18 167.95 0.05 OUTLIER 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 128.031 2.533 . . . . 0.0 115.842 172.408 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 366' ' ' SER . . . . . . . . . . . . . 68.3 m -73.62 -172.08 1.16 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.385 1.474 . . . . 0.0 110.596 169.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 19.0 m -63.8 -24.26 67.68 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 120.678 -1.264 . . . . 0.0 112.665 171.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 368' ' ' HIS . . . . . 0.48 ' CD2' HD13 ' A' 1547 ' ' LEU . 10.1 t60 58.59 -72.62 0.02 OUTLIER 'General case' 0 C--O 1.226 -0.149 0 C-N-CA 127.47 2.308 . . . . 0.0 112.026 -169.719 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 369' ' ' LEU . . . . . 0.684 HD22 HD11 ' A' 1547 ' ' LEU . 49.0 tp -165.3 -69.15 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 119.222 0.919 . . . . 0.0 110.804 -170.452 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 370' ' ' MLY . . . . . 0.495 HH12 ' CE3' ' A' 1495 ' ' TRP . . . . . . . . 0 N--CA 1.47 0.572 0 C-N-CA 128.919 2.888 . . . . 0.0 115.441 -173.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 371' ' ' SER . . . . . . . . . . . . . 74.2 m 53.92 13.56 0.56 Allowed 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 128.839 2.856 . . . . 0.0 114.749 175.234 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 372' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -65.79 -28.79 69.28 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 121.669 -0.644 . . . . 0.0 112.295 -177.321 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 373' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -138.45 23.02 2.73 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.334 1.054 . . . . 0.0 111.912 178.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 374' ' ' GLY . . . . . . . . . . . . . . . 60.59 -152.2 38.92 Favored Glycine 0 CA--C 1.534 1.224 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -172.3 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -145.2 150.29 36.45 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 125.435 1.494 . . . . 0.0 107.054 173.19 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 14.4 m -60.99 152.31 28.18 Favored 'General case' 0 C--O 1.241 0.655 0 C-N-CA 124.321 1.048 . . . . 0.0 111.65 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 4.7 m . . . . . 0 C--O 1.253 1.249 0 C-N-CA 124.529 1.131 . . . . 0.0 109.376 172.344 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.514 0 N-CA-C 111.396 -0.682 . . . . 0.0 111.396 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -78.47 -19.84 52.23 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 -176.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 90.7 mmm -62.86 145.46 55.02 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 118.347 0.521 . . . . 0.0 110.214 178.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -152.94 158.86 42.72 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 126.125 1.77 . . . . 0.0 107.618 178.102 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 16.9 m -55.53 100.78 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.654 1.182 . . . . 0.0 110.766 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 93.8 m-85 66.17 -62.53 0.26 Allowed 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 127.9 2.48 . . . . 0.0 113.663 176.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 3.7 t -56.67 116.0 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 C-N-CA 125.473 1.509 . . . . 0.0 109.026 -175.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 113.09 -22.76 15.29 Favored Glycine 0 CA--C 1.532 1.119 0 C-N-CA 125.398 1.475 . . . . 0.0 113.332 179.107 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 9.0 mp -74.74 138.5 42.76 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 118.697 1.249 . . . . 0.0 110.938 -172.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 9.9 mtm180 -78.1 127.17 31.9 Favored 'General case' 0 N--CA 1.462 0.157 0 N-CA-C 105.668 -1.975 . . . . 0.0 105.668 168.087 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 18.7 m -142.91 -174.72 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 C-N-CA 125.417 1.487 . . . . 0.0 107.535 -176.288 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 3.4 t -120.38 144.87 27.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 104.672 -2.344 . . . . 0.0 104.672 169.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -145.43 151.23 37.9 Favored 'General case' 0 CA--C 1.516 -0.333 0 C-N-CA 124.498 1.119 . . . . 0.0 109.028 -169.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 73.0 tttt -83.08 128.27 34.33 Favored 'General case' 0 CA--C 1.511 -0.557 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 -178.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1495 ' ' TRP . . . . . 0.411 ' CE3' HH12 ' B' ' 370' ' ' MLY . 24.3 t-105 -71.2 133.39 46.1 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 169.672 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 1.3 m -61.67 -19.33 62.2 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 118.1 2.63 . . . . 0.0 118.1 -168.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 9.3 m -76.91 46.58 0.47 Allowed 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 121.365 1.893 . . . . 0.0 111.454 176.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 62.9 t30 44.47 44.64 7.17 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.427 1.891 . . . . 0.0 111.55 -169.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -94.32 -172.45 38.41 Favored Glycine 0 C--N 1.339 0.724 0 CA-C-O 121.988 0.771 . . . . 0.0 113.255 -170.051 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1500 ' ' TYR . . . . . 0.413 ' CG ' ' HA ' ' A' 1589 ' ' SER . 12.8 m-30 -72.61 168.86 17.76 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 125.635 1.574 . . . . 0.0 110.776 174.684 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -86.6 109.89 19.45 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 173.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -101.05 150.23 23.12 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 124.792 1.237 . . . . 0.0 108.145 179.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 11.2 m -72.92 144.29 47.38 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.381 0.672 . . . . 0.0 109.757 178.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -169.39 -178.09 40.42 Favored Glycine 0 C--N 1.335 0.499 0 O-C-N 121.932 -0.48 . . . . 0.0 111.973 -176.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 38.6 mtmt -127.17 129.45 47.89 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 106.384 -1.71 . . . . 0.0 106.384 -172.137 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 20.1 mt -73.13 129.4 36.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 59.9 p -104.79 -36.24 7.47 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 123.017 0.527 . . . . 0.0 110.516 -171.31 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -168.08 141.91 3.34 Favored 'General case' 0 C--N 1.344 0.354 0 C-N-CA 124.113 0.965 . . . . 0.0 111.293 176.065 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 7.6 t70 -69.38 103.63 2.05 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 168.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.5 t -64.95 -50.84 73.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 C-N-CA 123.446 0.698 . . . . 0.0 109.454 -176.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 148.66 163.2 10.71 Favored Glycine 0 C--N 1.341 0.845 0 N-CA-C 109.741 -1.343 . . . . 0.0 109.741 178.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.13 11.06 0.69 Allowed 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 115.229 1.566 . . . . 0.0 115.229 177.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 104.26 -6.21 46.11 Favored Glycine 0 CA--C 1.525 0.691 0 C-N-CA 124.892 1.234 . . . . 0.0 111.585 -176.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 10.9 mtpp -74.94 136.27 41.38 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 120.156 1.978 . . . . 0.0 107.27 170.312 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -126.06 138.04 53.68 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 105.309 -2.108 . . . . 0.0 105.309 169.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -84.54 137.65 33.2 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 176.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.2 mm? -124.91 118.47 26.37 Favored 'General case' 0 CA--C 1.513 -0.452 0 C-N-CA 124.918 1.287 . . . . 0.0 108.292 -169.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 41.7 tp -84.03 94.47 8.31 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 105.252 -2.129 . . . . 0.0 105.252 169.272 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -57.69 148.98 22.94 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 172.11 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -65.19 -21.71 66.8 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -170.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 30.5 p-10 -79.07 -2.02 38.53 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.242 1.417 . . . . 0.0 113.219 173.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 107.01 -3.49 35.58 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 125.402 1.477 . . . . 0.0 113.799 169.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -79.44 154.56 28.85 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 118.3 1.05 . . . . 0.0 109.53 -175.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -140.68 117.52 11.05 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 -176.406 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 75.9 m -142.73 163.94 31.46 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 125.347 1.459 . . . . 0.0 107.79 173.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -87.25 143.2 27.39 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 173.32 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 78.2 t -142.05 137.08 30.27 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.264 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 -177.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.5 mt -73.98 151.11 40.39 Favored 'General case' 0 C--O 1.219 -0.55 0 C-N-CA 123.097 0.559 . . . . 0.0 111.943 178.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -58.14 -36.67 83.21 Favored Glycine 0 C--N 1.336 0.553 0 C-N-CA 124.028 0.823 . . . . 0.0 112.759 -176.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.12 -20.8 60.06 Favored 'General case' 0 C--O 1.222 -0.352 0 O-C-N 121.495 -1.003 . . . . 0.0 112.374 175.566 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -103.47 20.21 18.29 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.433 1.493 . . . . 0.0 112.225 -175.396 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -131.35 136.91 56.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 N-CA-C 106.748 -1.575 . . . . 0.0 106.748 -177.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 63.3 mt -118.09 110.29 17.46 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 128.119 2.568 . . . . 0.0 104.389 -173.237 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1534 ' ' LEU . . . . . 0.559 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -107.59 -5.74 17.35 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 116.322 1.971 . . . . 0.0 116.322 -169.217 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 21.6 p -129.36 52.34 1.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 105.546 -2.02 . . . . 0.0 105.546 -177.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 56.2 t0 -118.47 61.28 4.5 Favored Pre-proline 0 C--O 1.238 0.482 0 N-CA-C 115.903 1.816 . . . . 0.0 115.903 -168.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -73.27 123.99 9.15 Favored 'Trans proline' 0 CA--C 1.546 1.113 1 N-CA-C 99.959 -4.67 . . . . 0.0 99.959 165.707 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1538 ' ' ILE . . . . . 0.548 HG21 HG11 ' A' 1544 ' ' VAL . 5.4 mm -59.84 120.55 50.94 Favored Pre-proline 0 CA--C 1.543 0.69 0 CA-C-N 119.514 1.052 . . . . 0.0 109.491 -168.023 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -63.31 143.64 89.57 Favored 'Trans proline' 0 N--CA 1.456 -0.684 0 C-N-CA 121.794 1.663 . . . . 0.0 110.442 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 2.9 mp -57.14 146.46 27.77 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 169.518 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 5.7 t70 74.54 -3.29 2.6 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 126.905 2.082 . . . . 0.0 113.731 -177.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 21.8 m -69.43 136.13 51.18 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 169.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -82.55 135.94 34.97 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 171.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1544 ' ' VAL . . . . . 0.548 HG11 HG21 ' A' 1538 ' ' ILE . 2.6 m -146.74 162.94 8.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 124.092 0.957 . . . . 0.0 109.507 -172.353 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 7.0 m -89.49 134.97 33.86 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 105.87 -1.9 . . . . 0.0 105.87 169.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -105.0 140.46 38.15 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 107.096 -1.446 . . . . 0.0 107.096 173.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1547 ' ' LEU . . . . . 0.443 HD21 HD22 ' B' ' 369' ' ' LEU . 0.1 OUTLIER -137.55 102.43 4.76 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 124.231 1.013 . . . . 0.0 108.958 -169.945 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 14.7 m -59.97 132.78 55.0 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 105.853 -1.906 . . . . 0.0 105.853 169.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -43.08 -38.13 2.24 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.054 1.742 . . . . 0.0 115.011 -168.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 31.9 t70 -70.97 -52.03 22.14 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.473 0.579 . . . . 0.0 112.324 -177.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -177.33 -19.79 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 115.273 1.583 . . . . 0.0 115.273 175.162 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -58.35 121.76 11.62 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 119.529 1.058 . . . . 0.0 111.076 -169.458 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 2.5 t80 -112.15 133.53 54.24 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 125.06 1.344 . . . . 0.0 110.838 -169.143 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 4.9 p -151.77 177.46 10.38 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.506 1.522 . . . . 0.0 109.913 172.624 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -135.59 156.02 49.54 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 119.443 1.02 . . . . 0.0 110.363 169.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.76 -160.46 19.3 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 126.418 1.961 . . . . 0.0 108.402 -172.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.1 t -130.32 143.25 41.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 CA-C-N 118.777 1.289 . . . . 0.0 110.175 -173.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 62.5 t -65.5 126.59 24.93 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 172.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -131.49 13.27 5.0 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 119.348 0.976 . . . . 0.0 111.868 171.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -174.48 170.86 44.04 Favored Glycine 0 C--N 1.339 0.726 0 O-C-N 121.186 -0.947 . . . . 0.0 111.527 172.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 11.0 m80 -133.59 155.03 50.39 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 126.134 1.774 . . . . 0.0 109.333 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 37.1 ttt85 -147.91 159.48 43.82 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 170.252 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.8 mmtp -128.7 128.83 44.86 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 105.669 -1.974 . . . . 0.0 105.669 169.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -146.58 131.32 17.95 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 107.135 -1.431 . . . . 0.0 107.135 -177.38 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 23.6 m 49.3 33.56 5.41 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.748 1.219 . . . . 0.0 113.484 178.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 68.9 34.15 76.5 Favored Glycine 0 CA--C 1.533 1.177 0 CA-C-O 119.69 -0.506 . . . . 0.0 112.572 -179.084 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -135.53 151.67 50.56 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 176.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 42.7 tp -101.92 131.47 48.28 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 125.929 1.692 . . . . 0.0 109.929 -169.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -127.74 156.25 42.72 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 125.548 1.539 . . . . 0.0 109.588 -172.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1570 ' ' TYR . . . . . 0.424 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 71.8 m-85 -138.34 130.5 28.63 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 106.417 -1.697 . . . . 0.0 106.417 -175.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.46 101.67 12.82 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 102.82 -3.03 . . . . 0.0 102.82 168.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 32.4 mm -78.94 124.52 37.42 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 N-CA-C 105.107 -2.183 . . . . 0.0 105.107 172.147 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -82.78 123.22 29.12 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 104.59 -2.374 . . . . 0.0 104.59 169.107 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -144.81 138.77 27.32 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 105.046 -2.205 . . . . 0.0 105.046 -176.086 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 51.59 31.93 8.38 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 119.027 0.831 . . . . 0.0 111.901 -172.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 73.04 16.39 78.46 Favored Glycine 0 CA--C 1.533 1.188 0 CA-C-O 118.448 -1.196 . . . . 0.0 114.099 176.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -141.57 154.59 45.54 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 119.069 1.435 . . . . 0.0 110.01 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 42.6 mtm105 -79.64 144.13 34.06 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 -176.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -140.28 129.23 23.38 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 105.346 -2.094 . . . . 0.0 105.346 172.433 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 83.8 m95 -79.59 130.29 35.24 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 179.237 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -131.96 166.8 20.85 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.48 1.512 . . . . 0.0 107.394 169.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 59.6 pttt -115.84 167.52 10.87 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.319 1.048 . . . . 0.0 110.292 -176.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 45.7 ttt180 -51.44 -41.63 60.98 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 -169.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 2.3 ppp? -75.38 -17.28 60.25 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-N 121.705 2.048 . . . . 0.0 113.17 178.054 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -90.94 -5.75 55.02 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 125.569 1.548 . . . . 0.0 110.941 173.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 61.2 t -120.2 92.78 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 N-CA-C 106.179 -1.785 . . . . 0.0 106.179 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 9.9 pt -112.6 163.19 9.96 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 -172.042 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 2.9 mt -109.86 115.04 29.1 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 -175.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1589 ' ' SER . . . . . 0.413 ' HA ' ' CG ' ' A' 1500 ' ' TYR . 0.1 OUTLIER -53.26 148.59 8.34 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 169.831 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.3 pp -56.27 -35.58 67.63 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 -168.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -67.02 -37.25 83.8 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 121.46 -0.775 . . . . 0.0 110.383 178.265 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -66.57 -51.53 55.44 Favored 'General case' 0 C--O 1.225 -0.224 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 178.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -66.64 -25.91 72.89 Favored Glycine 0 C--N 1.339 0.727 0 CA-C-O 119.238 -0.756 . . . . 0.0 111.759 -173.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -56.86 -43.96 81.71 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 118.852 1.326 . . . . 0.0 111.838 172.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 3.6 mtt-85 -62.54 -17.23 59.45 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 179.049 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.6 mp -97.23 -28.64 13.98 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 124.502 1.121 . . . . 0.0 110.42 175.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 64.2 ttp85 -57.27 -38.98 74.73 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 119.327 0.967 . . . . 0.0 111.5 -176.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -58.06 -22.37 49.86 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 118.197 -0.906 . . . . 0.0 113.394 178.035 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -114.28 -47.08 2.95 Favored 'General case' 0 C--N 1.348 0.527 0 CA-C-N 119.837 1.199 . . . . 0.0 111.864 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 9.7 m-30 -93.0 -9.71 38.89 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 124.403 1.081 . . . . 0.0 112.273 -170.014 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -52.39 129.37 36.72 Favored Glycine 0 CA--C 1.524 0.652 0 C-N-CA 125.744 1.64 . . . . 0.0 110.523 176.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1602 ' ' LEU . . . . . 0.559 HD22 HD23 ' A' 1534 ' ' LEU . 0.8 OUTLIER -65.47 -44.94 85.6 Favored 'General case' 0 C--N 1.343 0.302 0 CA-C-N 118.484 1.142 . . . . 0.0 109.176 173.039 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.386 0 N-CA-C 109.253 -1.539 . . . . 0.0 109.253 -175.714 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 363' ' ' ARG . . . . . . . . . . . . . 25.6 tpp180 . . . . . 0 N--CA 1.494 1.765 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -66.57 -46.37 76.21 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 118.125 0.421 . . . . 0.0 110.959 -177.073 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 365' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -158.02 170.67 21.79 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 125.117 1.367 . . . . 0.0 108.658 174.521 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 366' ' ' SER . . . . . . . . . . . . . 39.9 m -61.75 171.52 1.57 Allowed 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.01 0.924 . . . . 0.0 110.247 168.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 5.7 m -58.76 -20.57 50.74 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -175.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 368' ' ' HIS . . . . . . . . . . . . . 20.7 t60 56.71 -78.62 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 127.443 2.297 . . . . 0.0 110.787 -169.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 369' ' ' LEU . . . . . 0.443 HD22 HD21 ' A' 1547 ' ' LEU . 25.9 tp -156.59 -74.06 0.1 Allowed 'General case' 0 N--CA 1.457 -0.08 0 CA-C-N 119.785 1.175 . . . . 0.0 110.247 -169.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 370' ' ' MLY . . . . . 0.411 HH12 ' CE3' ' A' 1495 ' ' TRP . . . . . . . . 0 C--N 1.344 0.364 0 C-N-CA 125.299 1.44 . . . . 0.0 110.147 -169.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 371' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.37 -24.32 1.87 Allowed 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 128.71 2.804 . . . . 0.0 116.054 -169.52 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 372' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -129.99 22.26 5.34 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.681 0.792 . . . . 0.0 112.752 177.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 373' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -130.35 -32.22 1.78 Allowed 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.012 0.925 . . . . 0.0 112.387 176.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 374' ' ' GLY . . . . . . . . . . . . . . . -149.67 16.89 1.1 Allowed Glycine 0 CA--C 1.533 1.209 0 CA-C-N 119.538 1.063 . . . . 0.0 114.563 -177.077 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -64.92 -31.67 73.02 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.148 1.474 . . . . 0.0 110.801 173.361 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 18.9 m -145.4 165.78 27.51 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 125.761 1.624 . . . . 0.0 108.982 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 5.2 m . . . . . 0 C--O 1.254 1.322 0 C-N-CA 124.296 1.038 . . . . 0.0 109.624 174.321 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.706 0 N-CA-C 111.51 -0.636 . . . . 0.0 111.51 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -65.77 -32.02 73.33 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 121.891 -0.77 . . . . 0.0 111.699 179.12 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 21.5 mmt -135.11 170.92 15.17 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 125.629 1.572 . . . . 0.0 109.144 178.043 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 47.8 t30 -145.2 162.95 35.88 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 125.89 1.676 . . . . 0.0 108.171 179.048 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 14.5 m -65.55 85.12 0.07 Allowed 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.939 1.296 . . . . 0.0 110.451 176.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 95.8 m-85 69.48 -60.97 0.45 Allowed 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 128.537 2.735 . . . . 0.0 113.964 172.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 16.4 t -59.02 115.0 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 C-N-CA 124.93 1.292 . . . . 0.0 108.748 -175.015 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 116.1 -23.08 10.91 Favored Glycine 0 CA--C 1.532 1.114 0 C-N-CA 125.33 1.443 . . . . 0.0 112.749 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 10.3 mp -74.79 139.91 43.64 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 118.777 1.288 . . . . 0.0 110.954 -172.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 55.8 mtm180 -79.08 127.78 32.44 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 105.467 -2.049 . . . . 0.0 105.467 168.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 17.0 m -146.49 -172.77 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 C-N-CA 124.752 1.221 . . . . 0.0 107.74 -173.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.1 t -121.08 147.44 24.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 105.782 -1.932 . . . . 0.0 105.782 170.245 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -146.63 150.37 35.32 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 124.057 0.943 . . . . 0.0 108.594 -170.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 70.3 tttt -83.06 134.03 35.05 Favored 'General case' 0 CA--C 1.512 -0.506 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 177.411 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1495 ' ' TRP . . . . . 0.489 ' CE3' HH12 ' B' ' 370' ' ' MLY . 28.3 t-105 -79.78 138.3 37.23 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 169.485 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 1.4 m -63.41 -20.0 65.17 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 118.201 2.667 . . . . 0.0 118.201 -168.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 14.6 m -76.27 45.56 0.38 Allowed 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 121.168 1.804 . . . . 0.0 111.579 177.107 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 64.7 t30 45.97 43.58 10.58 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.18 1.792 . . . . 0.0 110.284 -169.192 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -87.79 -177.16 48.05 Favored Glycine 0 C--N 1.334 0.471 0 CA-C-O 122.402 1.001 . . . . 0.0 113.808 -169.472 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1500 ' ' TYR . . . . . 0.415 ' CG ' ' HA ' ' A' 1589 ' ' SER . 12.4 m-30 -73.66 168.09 20.05 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 125.509 1.524 . . . . 0.0 110.356 173.73 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -85.45 107.75 17.56 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 106.686 -1.598 . . . . 0.0 106.686 173.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -99.3 153.79 18.69 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 178.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 6.1 m -67.97 147.32 52.6 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.427 -0.796 . . . . 0.0 110.705 175.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -165.28 -177.64 37.85 Favored Glycine 0 C--N 1.334 0.432 0 CA-C-O 121.728 0.627 . . . . 0.0 111.659 176.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 40.8 mtmt -132.19 126.91 34.69 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 106.105 -1.813 . . . . 0.0 106.105 -173.127 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 14.2 mt -72.38 133.49 31.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 -177.052 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 34.5 p -109.75 -30.35 7.9 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 123.354 0.662 . . . . 0.0 109.392 -172.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 13.6 ttt-85 -168.15 149.7 5.2 Favored 'General case' 0 C--N 1.342 0.279 0 C-N-CA 123.01 0.524 . . . . 0.0 112.144 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 7.5 t70 -79.34 110.59 14.77 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 103.553 -2.758 . . . . 0.0 103.553 167.017 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.6 t -71.38 -50.45 40.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 147.27 163.92 10.86 Favored Glycine 0 C--N 1.34 0.778 0 N-CA-C 109.755 -1.338 . . . . 0.0 109.755 179.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 59.46 7.12 0.91 Allowed 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 115.261 1.578 . . . . 0.0 115.261 177.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 105.33 -6.98 42.88 Favored Glycine 0 CA--C 1.527 0.837 0 C-N-CA 124.502 1.049 . . . . 0.0 111.181 -173.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -75.0 138.47 42.24 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 120.199 1.999 . . . . 0.0 107.975 169.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -127.76 137.04 52.3 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 105.34 -2.096 . . . . 0.0 105.34 169.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -83.52 137.39 33.89 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 177.063 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.0 mm? -124.62 119.39 28.9 Favored 'General case' 0 CA--C 1.513 -0.479 0 C-N-CA 125.107 1.363 . . . . 0.0 108.693 -169.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 37.4 tp -83.72 95.46 8.41 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 104.1 -2.556 . . . . 0.0 104.1 169.029 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -58.68 148.86 27.74 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 172.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -68.33 -19.65 64.68 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 112.076 0.398 . . . . 0.0 112.076 -170.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 39.0 p-10 -77.37 -1.96 32.7 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.679 1.192 . . . . 0.0 113.025 171.377 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 105.47 -3.81 40.06 Favored Glycine 0 CA--C 1.531 1.047 0 C-N-CA 125.629 1.585 . . . . 0.0 113.586 169.385 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -78.18 158.17 29.12 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.196 0.998 . . . . 0.0 109.53 -176.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -142.4 121.48 12.92 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 -176.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 61.7 m -147.86 166.51 27.38 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 125.578 1.551 . . . . 0.0 107.653 172.067 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -79.89 144.6 33.26 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 170.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 92.8 t -140.58 139.34 35.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 107.262 -1.385 . . . . 0.0 107.262 174.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.2 mt -76.08 150.46 37.28 Favored 'General case' 0 CA--C 1.511 -0.521 0 C-N-CA 123.036 0.534 . . . . 0.0 111.997 178.07 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -57.84 -35.13 73.67 Favored Glycine 0 CA--C 1.522 0.473 0 C-N-CA 123.783 0.706 . . . . 0.0 113.42 -177.19 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.19 -11.21 28.65 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 121.531 -0.982 . . . . 0.0 113.061 174.646 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -115.36 20.83 14.56 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.156 1.782 . . . . 0.0 111.79 -177.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 1.1 mt -130.81 132.43 64.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 N-CA-C 106.256 -1.757 . . . . 0.0 106.256 178.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 8.3 mp -117.33 120.25 37.62 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 104.132 -2.544 . . . . 0.0 104.132 -175.194 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1534 ' ' LEU . . . . . 0.477 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -113.99 -1.37 13.81 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 116.905 2.187 . . . . 0.0 116.905 -168.627 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 24.3 p -132.7 50.42 2.24 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 106.483 -1.673 . . . . 0.0 106.483 -177.251 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 55.0 t0 -118.35 61.69 4.51 Favored Pre-proline 0 CA--C 1.54 0.574 0 N-CA-C 116.905 2.187 . . . . 0.0 116.905 -168.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -72.39 123.32 9.04 Favored 'Trans proline' 0 CA--C 1.545 1.046 1 N-CA-C 100.848 -4.328 . . . . 0.0 100.848 166.106 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1538 ' ' ILE . . . . . 0.4 ' HB ' ' CE2' ' A' 1570 ' ' TYR . 8.6 mm -60.61 123.65 75.16 Favored Pre-proline 0 CA--C 1.54 0.566 0 CA-C-N 119.839 1.2 . . . . 0.0 109.052 -168.45 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -63.0 145.3 94.23 Favored 'Trans proline' 0 N--CA 1.454 -0.848 0 C-N-CA 121.92 1.747 . . . . 0.0 110.495 176.206 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 3.7 mp -58.86 150.73 23.31 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 170.095 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 22.5 t70 72.68 -5.74 1.79 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 126.3 1.84 . . . . 0.0 113.495 -176.147 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 23.1 m -68.08 136.46 53.81 Favored 'General case' 0 C--O 1.238 0.485 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 169.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -84.23 136.14 34.06 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 107.377 -1.342 . . . . 0.0 107.377 172.211 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -146.07 162.54 10.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 C-N-CA 124.847 1.259 . . . . 0.0 108.881 -170.759 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 5.2 m -88.73 136.17 33.14 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 105.226 -2.139 . . . . 0.0 105.226 169.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -110.78 138.61 46.95 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 175.009 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1547 ' ' LEU . . . . . 0.426 HD11 HD22 ' B' ' 369' ' ' LEU . 0.2 OUTLIER -139.05 109.92 6.74 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 122.955 0.502 . . . . 0.0 111.025 -169.427 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 9.3 m -65.7 121.86 15.95 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 102.634 -3.099 . . . . 0.0 102.634 167.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 51.4 mp0 -47.47 -28.59 2.25 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 126.776 2.03 . . . . 0.0 115.683 -168.108 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 38.3 t70 -64.09 -46.33 84.74 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.713 0.688 . . . . 0.0 111.698 178.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 174.52 -21.6 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 126.045 1.738 . . . . 0.0 114.238 173.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -59.41 124.5 20.25 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 119.625 1.102 . . . . 0.0 109.631 -169.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 1.3 t80 -120.69 133.27 55.36 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 124.877 1.271 . . . . 0.0 110.413 -169.009 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 3.7 p -152.18 178.88 9.02 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.581 1.552 . . . . 0.0 109.43 170.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -132.32 157.34 44.71 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 119.809 1.186 . . . . 0.0 111.017 171.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.76 -163.44 24.8 Favored Glycine 0 CA--C 1.526 0.731 0 C-N-CA 126.358 1.932 . . . . 0.0 109.023 -170.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.9 t -130.19 142.78 42.9 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.335 0 CA-C-N 118.803 1.301 . . . . 0.0 109.666 -173.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 70.9 t -65.08 125.16 21.46 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 172.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -129.71 18.57 5.69 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.829 0.852 . . . . 0.0 111.219 173.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 174.68 178.56 44.65 Favored Glycine 0 CA--C 1.522 0.497 0 O-C-N 121.609 -0.682 . . . . 0.0 111.45 171.311 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 16.3 m80 -142.01 153.99 44.66 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 126.006 1.723 . . . . 0.0 110.899 -171.374 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -148.33 157.52 43.54 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 125.43 1.492 . . . . 0.0 107.1 171.095 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -134.15 124.61 26.36 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 106.19 -1.781 . . . . 0.0 106.19 173.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -150.69 138.02 19.49 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 -173.304 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 20.1 m 50.66 31.43 5.79 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.342 1.057 . . . . 0.0 113.616 178.215 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 69.02 29.76 72.31 Favored Glycine 0 CA--C 1.529 0.928 0 C-N-CA 123.509 0.576 . . . . 0.0 112.743 -179.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -138.02 148.65 45.33 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 -177.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 38.2 tp -98.77 134.43 41.67 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 124.417 1.087 . . . . 0.0 109.919 -169.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1569 ' ' TYR . . . . . 0.414 ' CE2' ' HB3' ' A' 1582 ' ' LYS . 32.4 m-85 -126.08 157.76 37.15 Favored 'General case' 0 CA--C 1.515 -0.389 0 C-N-CA 125.804 1.642 . . . . 0.0 109.384 -174.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1570 ' ' TYR . . . . . 0.4 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 58.6 m-85 -142.02 129.84 21.73 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 106.872 -1.529 . . . . 0.0 106.872 -173.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.97 97.62 11.06 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 104.877 -2.268 . . . . 0.0 104.877 169.565 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 39.8 mm -80.76 129.98 36.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 106.401 -1.703 . . . . 0.0 106.401 178.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -84.63 118.21 24.23 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 103.538 -2.764 . . . . 0.0 103.538 168.357 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -144.17 133.51 23.19 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 105.11 -2.182 . . . . 0.0 105.11 -169.658 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 52.26 34.29 14.36 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.808 0.843 . . . . 0.0 111.722 -169.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 71.32 18.62 76.94 Favored Glycine 0 CA--C 1.533 1.162 0 CA-C-O 119.029 -0.873 . . . . 0.0 113.898 175.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -144.36 155.12 43.65 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 118.575 1.188 . . . . 0.0 109.672 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 71.4 mtp85 -82.06 141.06 33.5 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 121.437 -0.789 . . . . 0.0 109.392 -174.069 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -146.17 130.03 17.21 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 106.359 -1.719 . . . . 0.0 106.359 -177.136 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 90.3 m95 -81.08 131.63 35.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 118.906 0.775 . . . . 0.0 110.053 176.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -134.34 164.6 27.04 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.557 1.543 . . . . 0.0 107.029 169.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1582 ' ' LYS . . . . . 0.414 ' HB3' ' CE2' ' A' 1569 ' ' TYR . 60.8 pttt -112.56 167.94 10.05 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 121.191 -0.943 . . . . 0.0 110.995 -178.722 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 67.0 ttp85 -41.36 -56.81 2.35 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.674 1.19 . . . . 0.0 114.056 -176.061 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 1.5 ppp? -71.57 -16.96 62.32 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 120.662 1.574 . . . . 0.0 113.83 -178.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -87.91 -6.47 58.04 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.614 1.165 . . . . 0.0 111.622 172.071 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 72.1 t -120.54 90.53 1.62 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 N-CA-C 105.972 -1.862 . . . . 0.0 105.972 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 13.9 pt -109.8 163.27 6.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -172.168 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 8.2 mt -106.29 114.01 27.88 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 106.892 -1.521 . . . . 0.0 106.892 -177.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1589 ' ' SER . . . . . 0.415 ' HA ' ' CG ' ' A' 1500 ' ' TYR . 0.4 OUTLIER -53.28 146.95 11.01 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 106.765 -1.568 . . . . 0.0 106.765 169.657 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.3 pp -53.92 -37.69 64.09 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 -168.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -71.16 -35.11 71.52 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.488 -0.757 . . . . 0.0 109.82 -177.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -63.98 -51.77 62.78 Favored 'General case' 0 C--N 1.342 0.257 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 174.284 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -67.16 -28.07 73.64 Favored Glycine 0 C--N 1.339 0.748 0 CA-C-O 119.195 -0.781 . . . . 0.0 111.648 -171.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -56.68 -43.41 80.44 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 118.577 1.188 . . . . 0.0 111.404 175.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 9.0 mtt-85 -60.96 -19.31 60.83 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 7.3 mp -99.84 -26.69 13.94 Favored 'General case' 0 CA--C 1.527 0.086 0 C-N-CA 124.183 0.993 . . . . 0.0 110.463 177.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -61.76 -36.0 79.76 Favored 'General case' 0 C--O 1.224 -0.259 0 O-C-N 121.253 -0.904 . . . . 0.0 110.407 -175.196 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -59.33 -20.93 58.57 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 118.227 -0.892 . . . . 0.0 113.283 177.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -113.62 -46.9 3.02 Favored 'General case' 0 C--N 1.347 0.477 0 CA-C-N 119.787 1.176 . . . . 0.0 111.499 179.061 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 12.6 m-30 -90.59 -17.45 26.92 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.086 0.954 . . . . 0.0 112.386 -169.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -44.38 129.61 7.18 Favored Glycine 0 CA--C 1.53 0.989 0 C-N-CA 126.368 1.937 . . . . 0.0 111.728 170.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1602 ' ' LEU . . . . . 0.477 HD22 HD23 ' A' 1534 ' ' LEU . 0.6 OUTLIER -65.42 -45.31 84.39 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 118.091 0.946 . . . . 0.0 109.239 174.291 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.173 0 O-C-N 125.375 1.672 . . . . 0.0 110.834 -168.884 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 363' ' ' ARG . . . . . . . . . . . . . 17.9 ptt-85 . . . . . 0 N--CA 1.494 1.769 0 N-CA-C 111.733 0.272 . . . . 0.0 111.733 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -68.27 150.37 48.33 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 169.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 365' ' ' HIS . . . . . 0.614 ' CD2' ' H ' ' B' ' 366' ' ' SER . 24.8 t60 46.14 -147.12 0.15 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.319 1.448 . . . . 0.0 111.627 -177.319 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 366' ' ' SER . . . . . 0.614 ' H ' ' CD2' ' B' ' 365' ' ' HIS . 31.4 m -143.99 -175.9 4.78 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 127.445 2.298 . . . . 0.0 107.566 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 14.0 m -64.02 -22.17 66.81 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 -172.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 368' ' ' HIS . . . . . . . . . . . . . 6.6 t60 44.9 -114.99 0.45 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.025 1.73 . . . . 0.0 110.987 177.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 369' ' ' LEU . . . . . 0.426 HD22 HD11 ' A' 1547 ' ' LEU . 6.2 tp -156.86 145.57 19.92 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 127.932 2.493 . . . . 0.0 104.725 -174.384 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 370' ' ' MLY . . . . . 0.489 HH12 ' CE3' ' A' 1495 ' ' TRP . . . . . . . . 0 CA--C 1.534 0.35 0 CA-C-N 118.996 0.816 . . . . 0.0 112.236 178.292 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 371' ' ' SER . . . . . . . . . . . . . 4.0 p 47.07 23.43 0.29 Allowed 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 128.938 2.895 . . . . 0.0 115.271 174.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 372' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -67.42 162.45 23.04 Favored 'General case' 0 C--O 1.236 0.39 0 O-C-N 121.596 -0.69 . . . . 0.0 109.889 175.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 373' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -56.42 138.19 51.68 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 170.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 374' ' ' GLY . . . . . . . . . . . . . . . 115.48 -21.91 12.43 Favored Glycine 0 CA--C 1.529 0.928 0 C-N-CA 124.245 0.926 . . . . 0.0 111.723 -176.265 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.85 -50.44 70.93 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 118.579 1.19 . . . . 0.0 109.184 172.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 10.0 m -64.75 151.72 44.44 Favored 'General case' 0 C--O 1.24 0.597 0 C-N-CA 123.475 0.71 . . . . 0.0 111.371 -178.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 5.0 m . . . . . 0 C--O 1.254 1.305 0 C-N-CA 124.541 1.136 . . . . 0.0 109.4 172.4 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.696 0 N-CA-C 111.632 -0.587 . . . . 0.0 111.632 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -151.52 155.89 39.43 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 124.863 1.265 . . . . 0.0 108.591 179.028 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 73.6 mtm -145.71 152.66 39.95 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 125.513 1.525 . . . . 0.0 108.399 175.229 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 60.7 t30 -66.66 154.18 41.24 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 174.14 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 17.2 m -65.78 94.5 0.21 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.619 1.167 . . . . 0.0 110.217 175.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 96.3 m-85 66.12 -59.91 0.31 Allowed 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 128.527 2.731 . . . . 0.0 114.609 172.47 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 21.9 t -60.8 113.83 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 C-N-CA 124.824 1.249 . . . . 0.0 108.631 -173.278 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 116.94 -22.56 10.5 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 125.198 1.38 . . . . 0.0 111.965 179.039 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 10.7 mp -73.34 135.97 44.39 Favored 'General case' 0 C--N 1.341 0.218 0 CA-C-N 118.868 1.334 . . . . 0.0 110.254 -173.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 54.8 mtm180 -74.32 128.29 35.16 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 105.765 -1.939 . . . . 0.0 105.765 168.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 21.3 m -147.64 -175.07 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 125.028 1.331 . . . . 0.0 107.521 -175.191 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 5.4 t -120.78 148.37 24.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 104.897 -2.261 . . . . 0.0 104.897 169.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -143.95 152.85 41.62 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 -172.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 75.8 tttt -82.87 138.69 33.81 Favored 'General case' 0 CA--C 1.51 -0.583 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 177.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1495 ' ' TRP . . . . . 0.49 ' CE3' HH12 ' B' ' 370' ' ' MLY . 31.6 t-105 -83.0 82.27 8.31 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 105.533 -2.025 . . . . 0.0 105.533 169.23 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 14.6 m -56.98 -24.84 56.23 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 -169.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 6.1 m -66.22 -14.22 61.58 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.249 1.02 . . . . 0.0 113.273 178.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 42.1 t30 -148.64 -46.14 0.15 Allowed 'General case' 0 C--N 1.347 0.49 0 CA-C-N 120.002 1.274 . . . . 0.0 113.778 172.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . 149.49 174.54 21.0 Favored Glycine 0 C--N 1.34 0.76 0 CA-C-N 118.821 0.737 . . . . 0.0 112.354 -179.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 4.3 m-30 72.93 160.65 0.23 Allowed 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 128.783 2.833 . . . . 0.0 111.585 176.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -112.57 118.05 34.03 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 124.803 1.241 . . . . 0.0 107.737 -174.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -114.95 152.69 31.92 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.513 1.125 . . . . 0.0 107.967 -176.463 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 4.5 m -69.94 148.84 48.44 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 123.378 0.671 . . . . 0.0 110.622 177.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -169.53 -176.44 39.39 Favored Glycine 0 C--N 1.334 0.457 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 175.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.34 141.96 51.44 Favored 'General case' 0 CA--C 1.514 -0.441 0 N-CA-C 106.904 -1.517 . . . . 0.0 106.904 172.578 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 6.6 mt -70.14 135.04 29.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 106.601 -1.629 . . . . 0.0 106.601 175.04 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 47.6 p -110.89 -29.91 7.75 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 -173.4 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 13.8 ttt-85 -166.32 151.49 8.21 Favored 'General case' 0 CA--C 1.517 -0.316 0 C-N-CA 123.11 0.564 . . . . 0.0 112.081 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 6.4 t70 -81.05 110.37 16.51 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 103.105 -2.924 . . . . 0.0 103.105 167.267 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.4 t -70.98 -49.98 45.91 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 147.99 163.99 11.06 Favored Glycine 0 C--N 1.338 0.688 0 N-CA-C 109.901 -1.28 . . . . 0.0 109.901 177.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 60.36 4.31 0.67 Allowed 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 115.597 1.703 . . . . 0.0 115.597 176.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 109.25 -8.04 32.84 Favored Glycine 0 CA--C 1.524 0.632 0 C-N-CA 124.733 1.159 . . . . 0.0 111.164 -172.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -75.1 138.54 42.16 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 120.386 2.093 . . . . 0.0 107.957 169.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -127.87 138.02 52.54 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 105.36 -2.089 . . . . 0.0 105.36 169.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -85.02 138.45 32.44 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 177.308 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.0 mm? -124.95 119.48 28.87 Favored 'General case' 0 CA--C 1.515 -0.38 0 C-N-CA 124.799 1.24 . . . . 0.0 108.85 -169.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 38.1 tp -84.67 97.47 9.66 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 105.366 -2.087 . . . . 0.0 105.366 169.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -62.81 149.12 44.97 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 172.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -67.54 -21.98 65.44 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -172.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 20.6 p-10 -76.33 -0.08 21.29 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.272 1.029 . . . . 0.0 112.966 171.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 105.53 -5.63 40.98 Favored Glycine 0 CA--C 1.528 0.889 0 C-N-CA 125.999 1.762 . . . . 0.0 114.115 168.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -78.37 156.28 29.59 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 117.985 0.892 . . . . 0.0 109.77 -174.346 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -140.83 121.14 13.94 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 66.2 m -146.19 166.96 24.67 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 125.491 1.517 . . . . 0.0 108.034 171.298 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -81.84 143.87 31.43 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 172.304 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 81.6 t -140.89 139.05 34.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 106.792 -1.558 . . . . 0.0 106.792 176.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.8 mt -75.94 151.84 37.2 Favored 'General case' 0 CA--C 1.51 -0.595 0 O-C-N 121.801 -0.562 . . . . 0.0 110.895 178.338 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -53.81 -35.14 52.27 Favored Glycine 0 CA--C 1.524 0.605 0 C-N-CA 124.524 1.059 . . . . 0.0 113.287 179.232 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -23.48 62.69 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 122.161 -0.611 . . . . 0.0 111.293 177.032 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -109.87 20.68 17.75 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 125.725 1.61 . . . . 0.0 111.522 -171.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -129.14 137.79 56.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 N-CA-C 106.076 -1.824 . . . . 0.0 106.076 178.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 51.3 mt -121.74 112.56 18.55 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 104.006 -2.591 . . . . 0.0 104.006 -171.433 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1534 ' ' LEU . . . . . 0.548 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -110.94 -1.56 16.36 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 116.535 2.05 . . . . 0.0 116.535 -168.923 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1535 ' ' CYS . . . . . 0.404 ' C ' ' HD2' ' A' 1537 ' ' PRO . 25.1 p -130.98 50.99 2.18 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 106.451 -1.685 . . . . 0.0 106.451 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -89.95 10.12 0.04 OUTLIER Pre-proline 0 CA--C 1.542 0.646 2 C-N-CA 133.018 4.527 . . . . 0.0 121.918 -169.336 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1537 ' ' PRO . . . . . 0.404 ' HD2' ' C ' ' A' 1535 ' ' CYS . 38.3 Cg_endo -53.49 114.69 1.87 Allowed 'Trans proline' 0 C--N 1.353 0.803 0 CA-C-N 125.715 3.077 . . . . 0.0 107.095 169.562 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 9.1 mm -61.26 122.13 67.95 Favored Pre-proline 0 CA--C 1.537 0.446 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 -168.52 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 17.2 Cg_endo -65.6 142.7 72.14 Favored 'Trans proline' 0 N--CA 1.452 -0.917 0 C-N-CA 121.49 1.46 . . . . 0.0 109.844 176.371 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1540 ' ' LEU . . . . . 0.529 ' H ' HD12 ' A' 1540 ' ' LEU . 4.7 mp -59.35 148.53 32.05 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 177.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 25.8 t70 78.27 -7.74 1.76 Allowed 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 127.59 2.356 . . . . 0.0 113.332 -174.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 28.9 m -69.31 140.25 54.35 Favored 'General case' 0 C--O 1.236 0.359 0 O-C-N 121.048 -1.033 . . . . 0.0 108.896 171.102 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -81.87 139.74 34.52 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 174.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 1.4 m -146.01 159.45 11.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 124.554 1.142 . . . . 0.0 109.419 -175.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 2.2 m -89.22 133.24 34.51 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 104.725 -2.324 . . . . 0.0 104.725 169.223 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -105.96 139.38 40.59 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 174.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1547 ' ' LEU . . . . . 0.447 HD11 HD22 ' B' ' 369' ' ' LEU . 0.2 OUTLIER -139.72 107.87 5.76 Favored 'General case' 0 CA--C 1.514 -0.433 0 C-N-CA 123.426 0.691 . . . . 0.0 110.614 -169.504 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 13.7 m -62.19 132.85 54.12 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 104.747 -2.316 . . . . 0.0 104.747 168.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -49.79 -26.14 3.66 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 115.791 1.774 . . . . 0.0 115.791 -168.436 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 20.7 t70 -75.62 -46.92 28.83 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 119.014 0.825 . . . . 0.0 111.825 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 178.47 -24.01 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 177.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -57.64 120.88 9.11 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 119.14 0.882 . . . . 0.0 109.982 -169.613 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 2.3 t80 -116.89 130.81 56.94 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 125.456 1.502 . . . . 0.0 110.089 -168.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 1.6 p -152.14 178.52 9.39 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.032 1.733 . . . . 0.0 109.141 174.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -136.99 157.38 46.86 Favored 'General case' 0 N--CA 1.466 0.36 0 O-C-N 120.401 -1.437 . . . . 0.0 111.077 173.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -169.23 -160.98 18.69 Favored Glycine 0 CA--C 1.527 0.818 0 C-N-CA 126.184 1.849 . . . . 0.0 108.953 -171.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.1 t -130.65 143.56 40.56 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.31 0 CA-C-N 118.546 1.173 . . . . 0.0 109.147 -175.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 93.7 t -66.38 125.78 24.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 173.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 85.5 mttt -132.0 22.99 4.54 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.027 0.83 . . . . 0.0 111.904 169.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 176.58 178.78 46.62 Favored Glycine 0 CA--C 1.524 0.654 0 O-C-N 121.578 -0.701 . . . . 0.0 111.685 169.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 10.1 m80 -142.85 152.87 42.61 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 126.456 1.902 . . . . 0.0 111.086 -171.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 45.5 ttt180 -148.21 162.57 39.2 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 125.46 1.504 . . . . 0.0 107.247 170.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 4.0 mmmm -128.92 128.48 43.86 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 169.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -150.59 142.24 23.61 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 -176.598 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 25.3 m 50.86 30.33 5.08 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.079 0.952 . . . . 0.0 113.174 -178.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 67.6 31.39 76.21 Favored Glycine 0 CA--C 1.528 0.903 0 CA-C-O 119.167 -0.796 . . . . 0.0 112.614 -177.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -143.79 157.21 44.54 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 119.174 1.487 . . . . 0.0 107.824 -178.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 28.9 tp -92.5 139.5 30.52 Favored 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 124.596 1.158 . . . . 0.0 110.433 -169.515 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -128.99 159.78 34.82 Favored 'General case' 0 CA--C 1.517 -0.291 0 C-N-CA 126.063 1.745 . . . . 0.0 108.534 -178.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -141.88 137.05 31.09 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 107.243 -1.391 . . . . 0.0 107.243 -174.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.25 98.85 11.53 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 104.477 -2.416 . . . . 0.0 104.477 169.177 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 33.1 mm -79.35 128.11 38.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 178.005 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -84.0 120.78 26.53 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 102.922 -2.992 . . . . 0.0 102.922 168.123 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 24.2 ttpt -142.41 135.09 28.19 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 104.942 -2.244 . . . . 0.0 104.942 -171.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 54.64 25.62 6.58 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.264 0.625 . . . . 0.0 112.24 -173.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 80.96 14.07 80.11 Favored Glycine 0 C--N 1.343 0.96 0 CA-C-O 119.043 -0.865 . . . . 0.0 113.452 176.228 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -140.87 155.28 46.35 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 118.645 1.223 . . . . 0.0 110.107 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 58.7 mtp85 -80.51 141.66 34.94 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.725 -0.61 . . . . 0.0 109.716 -175.071 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -145.57 130.38 18.13 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 88.7 m95 -81.33 132.2 35.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 118.978 0.808 . . . . 0.0 110.284 176.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -134.08 164.24 27.77 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.012 1.325 . . . . 0.0 108.039 169.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -104.47 168.65 8.95 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.089 1.356 . . . . 0.0 110.239 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 14.1 ttp180 -49.28 -53.96 19.23 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 120.094 1.315 . . . . 0.0 113.66 -178.043 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 1.6 ppp? -70.06 -13.32 62.16 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 121.385 1.902 . . . . 0.0 113.492 -179.196 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -92.36 -4.75 53.4 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.991 1.317 . . . . 0.0 111.48 172.176 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 83.2 t -120.99 90.46 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 N-CA-C 106.204 -1.776 . . . . 0.0 106.204 176.343 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 10.3 pt -106.8 175.65 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.689 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 -176.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 6.5 mt -124.63 121.81 35.77 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -175.076 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 4.7 m -58.99 158.11 8.96 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 169.117 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 1.9 pp -54.89 -43.18 72.98 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 121.269 -0.894 . . . . 0.0 113.392 -169.053 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -67.76 -42.04 82.39 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 121.509 -0.745 . . . . 0.0 109.595 -178.334 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -60.08 -41.07 91.64 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.122 0.969 . . . . 0.0 109.948 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -70.67 -32.9 67.01 Favored Glycine 0 C--N 1.341 0.831 0 O-C-N 121.981 -0.45 . . . . 0.0 112.451 178.235 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -64.9 -38.98 92.79 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.936 0.895 . . . . 0.0 111.492 -178.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -54.1 -23.28 13.35 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 118.512 0.596 . . . . 0.0 112.083 174.458 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 11.8 mt -95.19 -31.31 13.57 Favored 'General case' 0 C--O 1.225 -0.213 0 C-N-CA 125.206 1.402 . . . . 0.0 111.207 -178.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 9.5 ttm-85 -57.56 -37.39 73.04 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.474 -0.766 . . . . 0.0 111.811 -171.03 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -57.09 -22.1 36.93 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.798 0.839 . . . . 0.0 113.131 177.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -115.4 -44.67 2.97 Favored 'General case' 0 C--N 1.346 0.451 0 CA-C-N 119.659 1.118 . . . . 0.0 112.665 177.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 6.6 m-30 -92.75 -10.47 36.89 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 123.594 0.758 . . . . 0.0 112.768 -169.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -54.84 130.23 46.21 Favored Glycine 0 CA--C 1.528 0.874 0 C-N-CA 125.627 1.584 . . . . 0.0 110.361 177.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1602 ' ' LEU . . . . . 0.548 HD22 HD23 ' A' 1534 ' ' LEU . 0.6 OUTLIER -65.38 -44.19 88.34 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 118.438 1.119 . . . . 0.0 109.218 173.425 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.292 0 N-CA-C 108.814 -1.714 . . . . 0.0 108.814 -176.445 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 363' ' ' ARG . . . . . . . . . . . . . 23.1 tpp85 . . . . . 0 N--CA 1.493 1.696 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -69.75 -35.51 75.02 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.775 0.658 . . . . 0.0 112.775 -172.18 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 365' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -155.05 166.21 34.28 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 124.906 1.282 . . . . 0.0 108.652 -178.277 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 366' ' ' SER . . . . . . . . . . . . . 47.4 m -67.06 -179.35 0.93 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.742 0.817 . . . . 0.0 111.573 170.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 12.6 m -59.66 -27.42 66.37 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.795 0.838 . . . . 0.0 112.966 -178.06 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 368' ' ' HIS . . . . . 0.428 ' HB3' ' H ' ' B' ' 369' ' ' LEU . 7.5 t60 43.94 -108.1 0.12 Allowed 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.597 1.559 . . . . 0.0 110.427 -171.295 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 369' ' ' LEU . . . . . 0.519 ' HG ' ' H ' ' B' ' 371' ' ' SER . 8.0 tp -156.43 142.77 18.33 Favored 'General case' 0 N--CA 1.443 -0.823 0 N-CA-C 104.922 -2.251 . . . . 0.0 104.922 -175.254 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 370' ' ' MLY . . . . . 0.49 HH12 ' CE3' ' A' 1495 ' ' TRP . . . . . . . . 0 CA--C 1.536 0.418 0 C-N-CA 124.195 0.998 . . . . 0.0 109.101 171.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 371' ' ' SER . . . . . 0.519 ' H ' ' HG ' ' B' ' 369' ' ' LEU 0.268 8.4 p 52.07 20.7 1.34 Allowed 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 129.702 3.201 . . . . 0.0 114.87 174.5 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 372' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -64.66 152.96 40.92 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.808 0.843 . . . . 0.0 110.799 -176.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 373' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -67.05 -34.8 78.48 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 122.375 0.27 . . . . 0.0 110.949 172.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 374' ' ' GLY . . . . . . . . . . . . . . . -110.22 50.91 0.74 Allowed Glycine 0 CA--C 1.526 0.743 0 C-N-CA 125.551 1.548 . . . . 0.0 109.645 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 32.4 tp60 -59.79 -29.65 68.36 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.007 0.923 . . . . 0.0 112.847 -174.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 13.1 m -142.39 162.62 35.0 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.549 1.14 . . . . 0.0 109.988 -172.126 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 5.2 m . . . . . 0 C--O 1.258 1.522 0 C-N-CA 124.892 1.277 . . . . 0.0 109.432 174.083 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.654 0 N-CA-C 111.397 -0.681 . . . . 0.0 111.397 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -68.13 154.87 40.8 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 117.636 0.718 . . . . 0.0 110.626 177.255 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 44.7 tpp -66.36 149.7 49.98 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 172.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 51.6 t30 -149.9 156.08 41.14 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 123.921 0.889 . . . . 0.0 109.533 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 42.2 m -53.59 107.95 0.3 Allowed 'General case' 0 C--O 1.235 0.3 0 C-N-CA 125.368 1.467 . . . . 0.0 110.472 -178.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 94.0 m-85 63.14 -64.27 0.11 Allowed 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 127.81 2.444 . . . . 0.0 113.766 177.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 4.1 t -56.15 111.98 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 C-N-CA 125.759 1.623 . . . . 0.0 108.942 -177.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 115.43 -21.57 12.78 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 125.301 1.429 . . . . 0.0 112.802 178.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 10.6 mp -72.75 140.09 47.55 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 118.754 1.277 . . . . 0.0 110.357 -175.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 57.1 mtp180 -81.72 126.32 31.66 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 105.558 -2.016 . . . . 0.0 105.558 168.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 14.4 m -143.51 -175.08 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 C-N-CA 124.852 1.261 . . . . 0.0 107.975 -173.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.8 t -121.93 144.4 31.27 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 N-CA-C 105.565 -2.013 . . . . 0.0 105.565 170.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -147.3 152.64 38.6 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.396 1.078 . . . . 0.0 109.046 -169.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 76.6 tttt -83.4 132.73 34.97 Favored 'General case' 0 CA--C 1.514 -0.442 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 16.3 t-105 -79.23 138.9 37.99 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 169.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 1.2 m -60.66 -23.34 64.72 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 117.952 2.575 . . . . 0.0 117.952 -168.555 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 15.3 m -73.99 45.11 0.2 Allowed 'General case' 0 N--CA 1.482 1.158 0 CA-C-N 121.104 1.775 . . . . 0.0 112.365 177.123 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 64.7 t30 46.95 37.17 4.64 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.621 1.968 . . . . 0.0 111.55 -169.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -84.91 -178.66 51.09 Favored Glycine 0 C--N 1.339 0.75 0 CA-C-O 122.626 1.126 . . . . 0.0 113.583 -169.249 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1500 ' ' TYR . . . . . 0.419 ' CG ' ' HA ' ' A' 1589 ' ' SER . 11.3 m-30 -66.65 168.68 8.95 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 126.27 1.828 . . . . 0.0 110.412 169.747 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -94.94 108.51 20.56 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 105.368 -2.086 . . . . 0.0 105.368 -178.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -98.17 151.96 19.87 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 125.055 1.342 . . . . 0.0 108.112 -175.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 3.8 m -69.12 148.74 49.52 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 123.325 0.65 . . . . 0.0 110.262 175.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -172.37 -177.5 41.87 Favored Glycine 0 C--N 1.331 0.289 0 O-C-N 121.641 -0.662 . . . . 0.0 112.378 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -126.19 129.39 48.9 Favored 'General case' 0 CA--C 1.513 -0.466 0 C-N-CA 125.913 1.685 . . . . 0.0 106.593 -174.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 20.2 mt -72.28 128.32 35.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 106.872 -1.529 . . . . 0.0 106.872 179.007 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 73.2 p -102.94 -36.01 8.36 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 123.365 0.666 . . . . 0.0 110.519 -171.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -167.73 142.35 3.67 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 124.141 0.976 . . . . 0.0 111.087 176.591 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 6.1 t0 -70.77 103.5 2.61 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 168.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.5 t -64.78 -50.7 74.12 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 -176.021 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 148.67 163.73 11.04 Favored Glycine 0 C--N 1.338 0.656 0 N-CA-C 109.679 -1.368 . . . . 0.0 109.679 178.116 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 57.22 9.43 0.69 Allowed 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 115.016 1.487 . . . . 0.0 115.016 177.183 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 105.17 -5.69 42.13 Favored Glycine 0 C--O 1.222 -0.642 0 C-N-CA 125.099 1.333 . . . . 0.0 111.328 -176.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 11.9 mtpp -75.03 135.49 41.26 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 120.021 1.911 . . . . 0.0 106.983 169.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -126.0 137.41 53.66 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 105.494 -2.039 . . . . 0.0 105.494 169.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 28.8 ttpt -84.33 138.49 32.86 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 176.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.4 mm? -125.17 118.29 25.74 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 125.001 1.32 . . . . 0.0 108.349 -169.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 32.0 tp -84.02 93.85 8.17 Favored 'General case' 0 CA--C 1.511 -0.539 0 N-CA-C 103.697 -2.705 . . . . 0.0 103.697 168.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -55.81 147.39 19.15 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 172.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -68.03 -17.01 64.28 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.086 -169.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 55.9 p-10 -84.39 5.08 28.49 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.485 1.514 . . . . 0.0 112.603 171.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 102.2 -4.56 51.97 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 125.304 1.431 . . . . 0.0 114.536 169.16 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -82.3 157.06 23.98 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 118.523 1.161 . . . . 0.0 110.042 -174.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -140.84 117.98 11.27 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 123.683 0.793 . . . . 0.0 108.874 -175.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 97.3 m -144.66 166.46 25.14 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 125.941 1.696 . . . . 0.0 107.799 174.313 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -94.16 145.23 24.84 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 123.552 0.741 . . . . 0.0 109.706 175.194 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 84.1 t -144.23 137.48 23.43 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 -174.099 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 7.7 mt -74.73 150.49 39.43 Favored 'General case' 0 CA--C 1.514 -0.427 0 C-N-CA 122.916 0.487 . . . . 0.0 111.053 178.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -55.44 -33.74 59.03 Favored Glycine 0 C--N 1.333 0.411 0 C-N-CA 124.402 1.001 . . . . 0.0 113.451 -178.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.85 -32.96 64.1 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 117.548 0.674 . . . . 0.0 110.413 176.514 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -99.72 22.47 10.94 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.579 1.551 . . . . 0.0 112.098 -170.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -132.08 136.29 56.89 Favored 'Isoleucine or valine' 0 C--N 1.347 0.467 0 N-CA-C 107.135 -1.432 . . . . 0.0 107.135 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 62.9 mt -116.25 115.21 25.55 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 127.368 2.267 . . . . 0.0 104.957 -176.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1534 ' ' LEU . . . . . 0.546 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -110.7 -3.35 15.86 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 116.165 1.913 . . . . 0.0 116.165 -169.286 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 22.9 p -132.91 52.73 2.06 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 106.395 -1.706 . . . . 0.0 106.395 -177.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 51.3 t0 -115.44 62.65 1.78 Allowed Pre-proline 0 CA--C 1.541 0.62 0 N-CA-C 117.439 2.385 . . . . 0.0 117.439 -168.213 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -72.49 119.54 6.18 Favored 'Trans proline' 0 CA--C 1.545 1.071 1 N-CA-C 101.129 -4.22 . . . . 0.0 101.129 166.08 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 9.7 mm -59.85 122.79 68.18 Favored Pre-proline 0 CA--C 1.538 0.506 0 CA-C-N 119.5 1.045 . . . . 0.0 109.496 -168.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -65.73 142.74 71.44 Favored 'Trans proline' 0 N--CA 1.452 -0.942 0 C-N-CA 121.453 1.436 . . . . 0.0 110.139 176.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1540 ' ' LEU . . . . . 0.406 ' H ' HD12 ' A' 1540 ' ' LEU . 4.4 mp -56.75 146.92 24.39 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 174.227 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 4.5 t70 77.18 -3.88 2.41 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 127.455 2.302 . . . . 0.0 113.57 -177.24 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 21.6 m -69.72 136.35 50.9 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 171.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -75.01 136.5 41.24 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 170.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 2.3 m -145.3 160.06 13.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 124.765 1.226 . . . . 0.0 109.183 -177.187 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 4.4 m -90.68 141.97 28.24 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 106.23 -1.767 . . . . 0.0 106.23 169.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -118.37 141.77 48.2 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 126.161 1.784 . . . . 0.0 107.866 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1547 ' ' LEU . . . . . 0.412 HD11 ' CD2' ' B' ' 369' ' ' LEU . 0.4 OUTLIER -138.75 122.08 17.1 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 123.98 0.912 . . . . 0.0 110.94 -169.644 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 15.5 m -73.41 162.12 29.66 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 107.061 -1.459 . . . . 0.0 107.061 168.311 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -74.23 13.14 0.61 Allowed 'General case' 0 CA--C 1.55 0.952 0 O-C-N 120.872 -1.142 . . . . 0.0 112.7 -175.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 21.0 t0 -147.18 60.45 1.17 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.98 1.712 . . . . 0.0 108.913 -177.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1551 ' ' GLU . . . . . . . . . . . . 0.268 6.8 pt-20 58.96 -7.61 0.05 OUTLIER 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 119.304 3.075 . . . . 0.0 119.304 171.104 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -59.82 128.98 39.58 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 121.595 1.998 . . . . 0.0 108.534 171.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -137.09 129.96 30.55 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 124.453 1.101 . . . . 0.0 109.474 -169.161 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 3.3 p -152.06 177.9 10.01 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.609 1.563 . . . . 0.0 109.367 174.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -131.06 156.88 44.43 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 119.723 1.147 . . . . 0.0 111.28 174.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.31 -160.06 17.76 Favored Glycine 0 CA--C 1.528 0.901 0 C-N-CA 126.362 1.934 . . . . 0.0 109.038 -170.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.0 t -133.26 142.66 41.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 CA-C-N 118.943 1.371 . . . . 0.0 109.731 -174.004 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 71.4 t -65.43 129.42 29.64 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.161 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 172.037 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -132.93 13.76 4.32 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.813 1.245 . . . . 0.0 111.576 171.203 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -177.47 173.3 46.04 Favored Glycine 0 C--N 1.342 0.896 0 CA-C-N 119.474 1.034 . . . . 0.0 112.603 174.284 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 13.7 m80 -135.25 153.82 51.78 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 126.33 1.852 . . . . 0.0 109.897 -178.273 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 44.7 ttt180 -149.27 161.05 42.79 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 107.078 -1.453 . . . . 0.0 107.078 172.27 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -131.24 125.53 33.13 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 106.102 -1.814 . . . . 0.0 106.102 169.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -150.44 138.99 20.58 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 -173.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 37.0 m 49.73 30.76 3.91 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.422 1.089 . . . . 0.0 113.864 178.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 67.11 35.41 88.78 Favored Glycine 0 CA--C 1.531 1.07 0 CA-C-O 119.349 -0.695 . . . . 0.0 112.405 -178.089 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -140.68 151.24 44.4 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 106.441 -1.689 . . . . 0.0 106.441 176.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 40.3 tp -93.11 139.07 30.95 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 -174.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -130.7 156.43 44.94 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 124.618 1.167 . . . . 0.0 108.833 -174.08 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -136.67 134.41 37.22 Favored 'General case' 0 N--CA 1.446 -0.661 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 -177.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 36.9 t -82.44 107.35 15.03 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 102.281 -3.229 . . . . 0.0 102.281 168.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 24.7 mm -89.86 124.78 42.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 104.977 -2.231 . . . . 0.0 104.977 171.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -84.27 114.25 21.71 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 103.731 -2.692 . . . . 0.0 103.731 168.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -144.2 137.15 27.17 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 105.643 -1.984 . . . . 0.0 105.643 -169.431 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 51.15 32.13 7.53 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.799 0.84 . . . . 0.0 112.179 -170.039 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 68.03 24.26 74.51 Favored Glycine 0 CA--C 1.532 1.146 0 CA-C-O 119.278 -0.734 . . . . 0.0 113.336 178.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -139.05 144.65 38.9 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 118.41 1.105 . . . . 0.0 109.414 178.378 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 75.3 mtm-85 -83.86 125.63 32.16 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -178.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -139.54 131.28 27.43 Favored 'General case' 0 CA--C 1.523 -0.064 0 N-CA-C 107.021 -1.474 . . . . 0.0 107.021 -169.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 88.9 m95 -80.12 126.68 31.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 118.243 0.474 . . . . 0.0 110.128 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -127.61 146.49 50.52 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 106.6 -1.63 . . . . 0.0 106.6 169.275 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -86.96 165.45 15.85 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.24 1.016 . . . . 0.0 110.084 -176.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -48.63 -51.47 27.99 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 119.506 1.048 . . . . 0.0 113.24 -177.126 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 2.1 ppp? -67.47 -21.91 65.5 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 119.9 1.227 . . . . 0.0 113.036 -179.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -81.44 -11.49 59.22 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 118.631 -0.7 . . . . 0.0 111.556 176.021 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 92.2 t -113.12 91.27 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 N-CA-C 105.651 -1.981 . . . . 0.0 105.651 -174.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 9.3 pt -105.14 164.46 3.98 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 N-CA-C 107.551 -1.278 . . . . 0.0 107.551 -176.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 8.0 mt -108.08 122.77 47.56 Favored 'General case' 0 CA--C 1.509 -0.617 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 -176.206 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1589 ' ' SER . . . . . 0.419 ' HA ' ' CG ' ' A' 1500 ' ' TYR . 1.5 m -56.79 141.07 45.71 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 106.254 -1.758 . . . . 0.0 106.254 169.499 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.3 pp -52.22 -37.84 56.27 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 114.172 1.175 . . . . 0.0 114.172 -168.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -67.84 -41.16 83.4 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 119.115 0.87 . . . . 0.0 109.781 178.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -67.55 -40.18 84.98 Favored 'General case' 0 C--O 1.223 -0.337 0 O-C-N 121.676 -0.64 . . . . 0.0 109.38 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -64.41 -31.43 80.84 Favored Glycine 0 CA--C 1.528 0.876 0 O-C-N 121.309 -0.869 . . . . 0.0 112.092 174.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -64.84 -37.44 87.64 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 120.886 -1.361 . . . . 0.0 110.943 178.525 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -56.41 -23.88 41.24 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 118.455 0.571 . . . . 0.0 111.466 177.046 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 6.6 mp -99.45 -24.18 14.87 Favored 'General case' 0 C--N 1.342 0.275 0 C-N-CA 125.341 1.456 . . . . 0.0 111.327 -179.199 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 66.2 ttp85 -55.05 -38.51 68.1 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 119.973 1.26 . . . . 0.0 111.477 -177.218 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -59.46 -20.42 55.04 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-O 118.178 -0.915 . . . . 0.0 113.407 178.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -114.74 -48.5 2.85 Favored 'General case' 0 C--N 1.346 0.428 0 CA-C-N 120.096 1.316 . . . . 0.0 111.954 178.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.0 m-30 -91.68 -9.12 45.02 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 123.96 0.904 . . . . 0.0 112.268 -170.017 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -54.01 130.99 44.48 Favored Glycine 0 CA--C 1.527 0.816 0 C-N-CA 125.267 1.413 . . . . 0.0 110.795 177.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1602 ' ' LEU . . . . . 0.546 HD22 HD23 ' A' 1534 ' ' LEU . 0.6 OUTLIER -65.96 -44.8 83.94 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 118.455 1.128 . . . . 0.0 109.378 172.753 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.254 0 N-CA-C 109.421 -1.472 . . . . 0.0 109.421 -174.842 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 363' ' ' ARG . . . . . . . . . . . . . 59.0 ttm-85 . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -109.48 -31.66 7.43 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 113.213 0.82 . . . . 0.0 113.213 175.205 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 365' ' ' HIS . . . . . . . . . . . . . 68.5 t60 -152.72 169.45 22.72 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 119.491 1.041 . . . . 0.0 108.727 177.188 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 366' ' ' SER . . . . . . . . . . . . . 7.9 m -74.01 44.76 0.19 Allowed 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 127.647 2.379 . . . . 0.0 113.076 -177.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 14.0 m 70.62 -28.92 0.18 Allowed 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 128.917 2.887 . . . . 0.0 114.885 174.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 368' ' ' HIS . . . . . 0.403 ' CD2' HD13 ' A' 1547 ' ' LEU 0.301 0.2 OUTLIER 37.99 -103.29 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 128.099 2.56 . . . . 0.0 113.761 -169.963 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' B' B ' 369' ' ' LEU . . . . . 0.412 ' CD2' HD11 ' A' 1547 ' ' LEU . 55.8 tp -162.48 149.66 13.57 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-N 120.118 1.326 . . . . 0.0 110.572 -168.416 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 370' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.622 0 C-N-CA 125.775 1.63 . . . . 0.0 112.906 175.478 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 371' ' ' SER . . . . . . . . . . . . 0.262 14.3 p 56.85 165.69 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 129.413 3.085 . . . . 0.0 114.738 173.549 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 372' ' ' LYS . . . . . . . . . . . . . 56.4 tptt -55.39 -32.04 62.31 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 120.011 -1.681 . . . . 0.0 112.815 -169.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 373' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -75.87 -15.72 60.17 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 117.898 -1.049 . . . . 0.0 113.439 -178.3 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 374' ' ' GLY . . . . . . . . . . . . . . . -139.82 -14.96 0.56 Allowed Glycine 0 CA--C 1.532 1.13 0 CA-C-N 120.062 1.301 . . . . 0.0 115.127 -170.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 49.2 tp60 -64.55 -27.71 69.14 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 118.975 1.387 . . . . 0.0 111.517 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 17.1 m -144.53 162.71 35.89 Favored 'General case' 0 C--O 1.24 0.599 0 C-N-CA 125.736 1.614 . . . . 0.0 108.718 178.027 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.255 1.386 0 C-N-CA 123.719 0.808 . . . . 0.0 109.926 169.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.612 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -132.37 10.88 4.49 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.649 0.78 . . . . 0.0 111.921 -170.197 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 26.3 ttt -65.87 150.05 49.21 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 121.458 -0.776 . . . . 0.0 109.171 174.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 49.7 t30 -147.52 159.76 43.37 Favored 'General case' 0 C--O 1.232 0.136 0 C-N-CA 124.992 1.317 . . . . 0.0 108.442 176.351 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 16.3 m -62.84 87.23 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.707 1.603 . . . . 0.0 110.9 178.294 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 92.0 m-85 67.11 -61.24 0.35 Allowed 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 128.301 2.64 . . . . 0.0 113.674 174.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 13.8 t -61.25 120.27 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 C-N-CA 124.084 0.954 . . . . 0.0 108.777 -175.185 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 110.78 -28.35 10.07 Favored Glycine 0 CA--C 1.53 1.005 0 C-N-CA 124.964 1.268 . . . . 0.0 112.619 -177.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 49.5 mt -69.52 139.16 53.79 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 118.728 1.264 . . . . 0.0 112.215 -174.322 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 50.7 mtp180 -81.82 128.43 34.01 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 105.668 -1.975 . . . . 0.0 105.668 168.501 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 14.7 m -145.79 -176.98 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 124.924 1.29 . . . . 0.0 107.63 -172.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.5 t -118.97 143.47 30.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 N-CA-C 105.357 -2.09 . . . . 0.0 105.357 169.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -147.11 153.08 39.51 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 124.233 1.013 . . . . 0.0 110.021 -169.376 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 79.3 tttt -82.71 130.69 35.17 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 -179.313 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 20.6 t-105 -75.09 141.72 43.75 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 169.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 2.0 p -62.2 -25.37 67.75 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 117.246 2.313 . . . . 0.0 117.246 -168.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 6.6 m -75.85 46.9 0.4 Allowed 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 121.208 1.822 . . . . 0.0 112.365 178.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 63.2 t30 45.6 42.52 8.28 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.164 1.786 . . . . 0.0 111.658 -170.674 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -90.21 -177.23 44.75 Favored Glycine 0 C--N 1.339 0.739 0 CA-C-O 122.761 1.201 . . . . 0.0 113.307 -169.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 12.1 m-30 -68.05 168.57 11.71 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 126.907 2.083 . . . . 0.0 110.62 169.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 5.4 m-30 -90.83 108.23 19.7 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 105.947 -1.872 . . . . 0.0 105.947 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -98.1 151.86 19.93 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.0 1.32 . . . . 0.0 108.096 -178.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 4.7 m -72.68 149.23 44.0 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 123.22 0.608 . . . . 0.0 110.363 177.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -173.26 -176.03 41.48 Favored Glycine 0 C--N 1.335 0.51 0 O-C-N 121.654 -0.654 . . . . 0.0 112.318 -177.591 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 38.7 mtmt -126.0 128.84 48.09 Favored 'General case' 0 CA--C 1.514 -0.428 0 C-N-CA 126.569 1.948 . . . . 0.0 106.868 -174.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 21.9 mt -72.52 134.23 30.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 106.733 -1.58 . . . . 0.0 106.733 177.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 43.6 p -110.12 -30.37 7.79 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 123.327 0.651 . . . . 0.0 109.789 -172.456 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 13.4 ttt-85 -168.12 149.0 5.02 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 115.727 -0.67 . . . . 0.0 112.215 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 6.5 t70 -78.45 110.35 13.45 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 103.761 -2.681 . . . . 0.0 103.761 167.272 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.5 t -71.58 -49.93 43.12 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 -179.299 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 147.73 164.04 11.03 Favored Glycine 0 C--N 1.338 0.665 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 178.048 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 60.3 4.52 0.69 Allowed 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 115.304 1.594 . . . . 0.0 115.304 177.351 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 107.86 -7.17 35.67 Favored Glycine 0 CA--C 1.523 0.556 0 C-N-CA 124.656 1.122 . . . . 0.0 111.087 -173.151 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -75.07 138.54 42.2 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 120.074 1.937 . . . . 0.0 107.993 169.609 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -127.9 137.5 52.33 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 105.091 -2.189 . . . . 0.0 105.091 169.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 29.4 ttpt -83.68 138.14 33.45 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 177.107 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.3 mm? -124.87 118.43 26.31 Favored 'General case' 0 CA--C 1.51 -0.572 0 C-N-CA 125.091 1.356 . . . . 0.0 108.891 -169.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 33.1 tp -84.08 92.96 8.01 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 103.686 -2.709 . . . . 0.0 103.686 168.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -54.49 148.12 12.74 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 171.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -67.74 -19.81 65.17 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 122.724 0.41 . . . . 0.0 111.953 -169.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 55.8 p30 -80.01 -0.1 33.96 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.586 1.554 . . . . 0.0 112.978 171.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 106.04 -4.23 38.59 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 125.46 1.505 . . . . 0.0 114.087 169.357 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -81.69 157.63 24.54 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 118.38 1.09 . . . . 0.0 110.155 -174.456 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -141.43 118.46 11.24 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 123.363 0.665 . . . . 0.0 109.287 -174.528 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 74.2 m -144.31 164.44 30.76 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 125.339 1.456 . . . . 0.0 108.472 174.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -81.33 145.13 31.02 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 170.176 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 97.0 t -142.06 139.23 30.49 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.178 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 177.25 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.7 mt -79.33 152.78 30.27 Favored 'General case' 0 CA--C 1.512 -0.498 0 C-N-CA 123.139 0.576 . . . . 0.0 111.937 179.342 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -53.7 -39.69 61.85 Favored Glycine 0 CA--C 1.523 0.534 0 C-N-CA 124.456 1.027 . . . . 0.0 113.788 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1530 ' ' LYS . . . . . . . . . . . . 0.255 0.0 OUTLIER -65.59 -9.98 31.51 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 118.685 1.242 . . . . 0.0 113.128 178.087 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -112.13 21.32 15.98 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.657 1.583 . . . . 0.0 111.525 -177.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -133.66 138.91 49.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 73.5 mt -120.48 116.16 24.89 Favored 'General case' 0 CA--C 1.521 -0.172 0 N-CA-C 104.609 -2.367 . . . . 0.0 104.609 -177.41 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1534 ' ' LEU . . . . . 0.552 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -109.3 -3.1 17.41 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 116.655 2.094 . . . . 0.0 116.655 -169.013 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 24.2 p -134.6 53.81 1.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 105.929 -1.878 . . . . 0.0 105.929 -177.331 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 51.9 t0 -117.26 64.54 3.84 Favored Pre-proline 0 CA--C 1.541 0.597 0 N-CA-C 117.273 2.323 . . . . 0.0 117.273 -168.158 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -72.11 120.36 6.76 Favored 'Trans proline' 0 CA--C 1.545 1.066 1 N-CA-C 100.981 -4.276 . . . . 0.0 100.981 165.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 10.3 mm -60.13 124.08 75.72 Favored Pre-proline 0 CA--C 1.538 0.511 0 CA-C-N 119.3 0.954 . . . . 0.0 109.865 -168.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -61.66 143.6 96.74 Favored 'Trans proline' 0 N--CA 1.454 -0.828 0 C-N-CA 122.066 1.844 . . . . 0.0 110.712 175.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1540 ' ' LEU . . . . . 0.486 ' H ' HD12 ' A' 1540 ' ' LEU . 4.1 mp -59.52 149.63 29.29 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 169.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 21.8 t70 74.27 -4.6 2.26 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 127.04 2.136 . . . . 0.0 113.536 -175.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 19.2 m -70.72 133.58 46.72 Favored 'General case' 0 C--O 1.238 0.475 0 O-C-N 120.826 -1.171 . . . . 0.0 108.402 171.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -74.48 136.31 42.26 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 170.306 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 2.4 m -145.94 160.56 11.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 C-N-CA 124.309 1.043 . . . . 0.0 109.506 -175.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 7.6 m -90.25 143.12 27.06 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 105.954 -1.869 . . . . 0.0 105.954 169.054 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -121.64 143.29 49.41 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 125.907 1.683 . . . . 0.0 107.438 -179.431 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1547 ' ' LEU . . . . . 0.4 HD11 ' CD2' ' B' ' 369' ' ' LEU . 0.5 OUTLIER -138.59 120.44 15.38 Favored 'General case' 0 CA--C 1.518 -0.288 0 C-N-CA 124.04 0.936 . . . . 0.0 109.03 -169.931 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 14.8 m -71.45 158.56 36.06 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 106.655 -1.609 . . . . 0.0 106.655 168.216 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -73.63 12.86 0.56 Allowed 'General case' 0 CA--C 1.55 0.946 0 O-C-N 121.264 -0.898 . . . . 0.0 112.879 -171.49 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 25.1 t0 -143.18 57.53 1.39 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.649 1.58 . . . . 0.0 109.293 177.03 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1551 ' ' GLU . . . . . . . . . . . . 0.286 9.4 pt-20 59.5 2.97 0.37 Allowed 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 119.34 3.089 . . . . 0.0 119.34 169.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -66.31 131.73 46.77 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 120.47 1.487 . . . . 0.0 107.403 169.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -134.22 130.63 37.47 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.358 1.063 . . . . 0.0 109.974 -169.567 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 2.4 p -152.05 178.82 9.05 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.654 1.582 . . . . 0.0 109.504 173.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -131.42 159.2 38.72 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 119.599 1.091 . . . . 0.0 111.0 173.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.87 -159.8 17.8 Favored Glycine 0 CA--C 1.528 0.893 0 C-N-CA 126.348 1.928 . . . . 0.0 109.278 -172.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.4 t -130.98 142.23 44.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-N 118.743 1.271 . . . . 0.0 109.454 -175.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 80.9 t -64.59 126.29 23.15 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 171.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 82.3 mttt -131.84 20.34 4.59 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 119.494 1.043 . . . . 0.0 111.732 170.382 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 176.98 179.34 47.33 Favored Glycine 0 CA--C 1.524 0.622 0 O-C-N 121.762 -0.586 . . . . 0.0 111.989 169.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 10.3 m80 -141.95 157.26 45.16 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 125.893 1.677 . . . . 0.0 110.887 -172.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 6.4 ttt-85 -151.01 157.59 43.06 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 125.916 1.686 . . . . 0.0 107.319 169.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -133.54 120.51 20.87 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 105.849 -1.908 . . . . 0.0 105.849 173.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -151.86 140.75 21.03 Favored 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 -174.167 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 31.4 m 50.62 30.93 5.21 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.592 1.157 . . . . 0.0 113.429 178.133 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 68.18 31.64 75.04 Favored Glycine 0 CA--C 1.528 0.905 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.299 -178.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -136.84 155.79 49.33 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 118.785 1.293 . . . . 0.0 107.626 176.261 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 36.9 tp -103.83 132.46 50.06 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 125.444 1.498 . . . . 0.0 107.9 -172.261 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -124.44 155.4 38.94 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 125.084 1.354 . . . . 0.0 108.651 -174.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -138.25 128.41 25.81 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 106.382 -1.71 . . . . 0.0 106.382 -176.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -86.19 96.19 9.84 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 104.748 -2.316 . . . . 0.0 104.748 169.616 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 36.7 mm -79.04 130.53 36.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 105.98 -1.859 . . . . 0.0 105.98 177.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -83.9 118.11 23.77 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 103.695 -2.706 . . . . 0.0 103.695 168.311 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -143.93 134.56 24.93 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 105.055 -2.202 . . . . 0.0 105.055 -169.747 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 51.16 35.06 12.32 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.757 0.823 . . . . 0.0 111.637 -169.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 73.64 15.41 79.33 Favored Glycine 0 CA--C 1.532 1.115 0 CA-C-O 119.008 -0.885 . . . . 0.0 114.184 173.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -143.86 157.75 44.15 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 118.871 1.336 . . . . 0.0 109.5 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -79.99 140.97 36.38 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 121.555 -0.716 . . . . 0.0 109.263 -176.119 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -143.1 130.51 21.06 Favored 'General case' 0 CA--C 1.521 -0.136 0 N-CA-C 106.058 -1.83 . . . . 0.0 106.058 -178.426 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 89.6 m95 -80.83 131.63 35.41 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 118.741 0.701 . . . . 0.0 110.131 176.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -133.13 162.7 31.05 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 169.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -107.96 166.54 10.64 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.354 1.062 . . . . 0.0 109.791 -176.265 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 20.8 ttp180 -48.43 -47.0 38.32 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -178.174 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 1.7 ppp? -69.16 -23.97 64.01 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 120.648 1.567 . . . . 0.0 112.531 179.03 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -87.79 -6.29 58.22 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 124.59 1.156 . . . . 0.0 111.543 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 92.7 t -116.8 99.44 8.29 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.538 0 N-CA-C 105.84 -1.911 . . . . 0.0 105.84 -178.243 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 8.5 pt -116.75 164.1 13.36 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -172.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 8.7 mt -112.95 125.41 54.36 Favored 'General case' 0 CA--C 1.509 -0.626 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 -171.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.67 136.26 58.01 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 105.821 -1.918 . . . . 0.0 105.821 169.146 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 3.0 pp -54.65 -36.17 64.29 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -169.377 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -63.18 -37.53 87.57 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.633 0.773 . . . . 0.0 109.517 -178.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 44.1 mm-40 -75.5 -45.19 39.79 Favored 'General case' 0 C--O 1.225 -0.207 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 178.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -58.53 -31.2 66.44 Favored Glycine 0 C--N 1.34 0.76 0 C-N-CA 123.66 0.647 . . . . 0.0 112.062 178.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -58.32 -40.43 82.06 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 118.558 1.179 . . . . 0.0 111.744 174.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -61.27 -22.26 64.67 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 118.927 0.785 . . . . 0.0 111.733 177.277 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 7.3 mp -94.53 -26.12 16.56 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 124.067 0.947 . . . . 0.0 110.733 175.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -57.65 -39.72 77.65 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.881 1.272 . . . . 0.0 110.486 -176.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -58.99 -19.4 43.04 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-O 117.737 -1.125 . . . . 0.0 113.614 178.03 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -115.42 -49.99 2.74 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 120.575 1.534 . . . . 0.0 112.177 176.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 8.9 m-30 -91.43 -9.6 44.04 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 124.756 1.223 . . . . 0.0 112.258 -170.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -55.38 130.91 48.49 Favored Glycine 0 CA--C 1.523 0.586 0 C-N-CA 125.206 1.384 . . . . 0.0 109.891 177.324 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1602 ' ' LEU . . . . . 0.552 HD22 HD23 ' A' 1534 ' ' LEU . 0.4 OUTLIER -64.65 -45.48 86.62 Favored 'General case' 0 N--CA 1.462 0.154 0 N-CA-C 107.377 -1.342 . . . . 0.0 107.377 170.681 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.423 0 N-CA-C 107.686 -2.166 . . . . 0.0 107.686 175.38 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 363' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 . . . . . 0 N--CA 1.492 1.643 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -136.29 -55.63 0.75 Allowed 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 123.619 0.767 . . . . 0.0 110.493 175.319 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 365' ' ' HIS . . . . . . . . . . . . . 28.2 t60 -158.3 169.18 25.06 Favored 'General case' 0 C--O 1.238 0.497 0 C-N-CA 124.678 1.191 . . . . 0.0 108.923 177.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 366' ' ' SER . . . . . . . . . . . . . 13.7 m -66.75 -176.65 0.51 Allowed 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 124.611 1.164 . . . . 0.0 110.646 169.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 11.1 m -55.38 -26.57 42.16 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.836 0.854 . . . . 0.0 113.225 172.161 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 368' ' ' HIS . . . . . . . . . . . . . 4.2 t60 58.01 -70.61 0.02 OUTLIER 'General case' 0 C--N 1.34 0.161 0 C-N-CA 128.347 2.659 . . . . 0.0 112.111 -169.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 369' ' ' LEU . . . . . 0.4 ' CD2' HD11 ' A' 1547 ' ' LEU . 57.9 tp -172.27 137.14 0.86 Allowed 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 -176.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 370' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.423 0 N-CA-C 102.88 -3.007 . . . . 0.0 102.88 169.708 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 371' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.25 -24.19 67.76 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.821 1.648 . . . . 0.0 114.011 -169.043 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 372' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -140.1 18.95 2.44 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.033 0.933 . . . . 0.0 112.967 175.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 373' ' ' LYS . . . . . . . . . . . . . 15.1 ttpp -149.17 35.95 0.75 Allowed 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 119.188 0.904 . . . . 0.0 112.489 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 374' ' ' GLY . . . . . . . . . . . . . . . -179.95 -100.27 0.14 Allowed Glycine 0 C--N 1.335 0.51 0 N-CA-C 109.839 -1.305 . . . . 0.0 109.839 177.591 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 19.8 mm100 -78.48 49.84 0.9 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.238 1.015 . . . . 0.0 109.136 170.158 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 10.3 m -61.31 156.35 19.03 Favored 'General case' 0 C--O 1.241 0.614 0 C-N-CA 125.514 1.526 . . . . 0.0 111.878 -174.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 2.4 p . . . . . 0 C--O 1.252 1.226 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.363 169.728 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.676 0 N-CA-C 112.033 -0.427 . . . . 0.0 112.033 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -62.8 143.99 56.98 Favored 'General case' 0 C--O 1.236 0.347 0 O-C-N 121.91 -0.759 . . . . 0.0 110.417 176.481 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 41.6 tpp -153.04 148.37 26.96 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 169.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -158.96 160.71 36.32 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 125.525 1.53 . . . . 0.0 107.807 177.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 36.5 m -47.16 -48.76 23.41 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.771 1.228 . . . . 0.0 113.321 172.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -150.58 -48.18 0.12 Allowed 'General case' 0 C--O 1.225 -0.202 0 C-N-CA 123.2 0.6 . . . . 0.0 111.16 -170.559 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 6.9 t -63.06 114.65 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 C-N-CA 125.748 1.619 . . . . 0.0 109.076 -172.495 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 112.91 -19.91 20.4 Favored Glycine 0 CA--C 1.528 0.846 0 C-N-CA 124.416 1.008 . . . . 0.0 112.427 179.13 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 9.5 mp -76.04 140.46 41.95 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 118.694 1.247 . . . . 0.0 109.939 -173.576 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 26.2 mtt-85 -79.09 129.86 34.89 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 106.553 -1.647 . . . . 0.0 106.553 168.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 16.5 m -147.76 -175.37 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 C-N-CA 124.948 1.299 . . . . 0.0 108.175 -174.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 4.1 t -118.91 144.15 28.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 105.335 -2.098 . . . . 0.0 105.335 169.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -145.73 152.45 39.61 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.475 1.11 . . . . 0.0 109.14 -169.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 78.1 tttt -83.01 131.94 35.16 Favored 'General case' 0 CA--C 1.515 -0.371 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 177.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 15.0 t-105 -76.32 139.04 40.87 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 108.444 -0.946 . . . . 0.0 108.444 169.139 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 1.5 m -60.35 -23.25 64.11 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 118.426 2.75 . . . . 0.0 118.426 -168.224 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 12.6 m -76.81 45.83 0.43 Allowed 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 121.455 1.934 . . . . 0.0 111.828 179.252 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 65.5 t30 49.3 36.86 10.25 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.365 1.866 . . . . 0.0 111.422 -169.415 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -81.06 179.51 53.57 Favored Glycine 0 C--N 1.339 0.744 0 CA-C-O 122.704 1.169 . . . . 0.0 114.175 -169.271 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 11.4 m-30 -69.75 167.96 16.01 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 125.978 1.711 . . . . 0.0 109.965 169.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -93.72 108.3 20.07 Favored 'General case' 0 N--CA 1.442 -0.832 0 N-CA-C 105.967 -1.864 . . . . 0.0 105.967 -177.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -99.62 155.04 17.81 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 -178.063 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 6.9 m -66.11 146.17 54.97 Favored 'General case' 0 C--O 1.236 0.345 0 O-C-N 121.529 -0.732 . . . . 0.0 110.425 173.145 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -167.22 -179.01 39.9 Favored Glycine 0 C--N 1.332 0.326 0 N-CA-C 111.612 -0.595 . . . . 0.0 111.612 -179.145 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -134.34 126.16 29.09 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 105.926 -1.879 . . . . 0.0 105.926 -170.547 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 15.8 mt -73.13 134.43 29.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 106.749 -1.574 . . . . 0.0 106.749 -176.364 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 51.3 p -110.03 -35.97 5.99 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 123.003 0.521 . . . . 0.0 110.669 -171.333 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -166.6 141.91 4.4 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.772 0.829 . . . . 0.0 111.432 174.436 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 5.9 t0 -69.36 102.56 1.78 Allowed 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 124.907 1.283 . . . . 0.0 107.666 168.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.5 t -64.96 -51.07 71.34 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 -176.464 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 146.19 164.86 11.16 Favored Glycine 0 C--N 1.339 0.741 0 N-CA-C 109.762 -1.335 . . . . 0.0 109.762 179.177 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 59.02 8.03 0.93 Allowed 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 178.181 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 103.66 -6.77 49.14 Favored Glycine 0 C--N 1.34 0.8 0 C-N-CA 124.228 0.918 . . . . 0.0 111.362 -173.406 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -75.34 137.62 41.22 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 120.567 2.183 . . . . 0.0 107.927 169.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -127.69 136.47 51.62 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 105.155 -2.165 . . . . 0.0 105.155 169.541 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -82.98 137.34 34.2 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 177.233 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 2.9 mm? -124.39 118.98 27.91 Favored 'General case' 0 CA--C 1.511 -0.556 0 C-N-CA 125.232 1.413 . . . . 0.0 109.046 -169.665 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 35.6 tp -84.07 98.05 9.65 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 105.543 -2.021 . . . . 0.0 105.543 169.286 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -61.92 152.88 30.79 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 122.851 0.461 . . . . 0.0 109.884 175.121 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -65.79 -23.03 66.62 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 122.142 -0.349 . . . . 0.0 110.994 170.241 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 26.4 t0 -62.39 -15.28 47.98 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.494 1.518 . . . . 0.0 111.8 170.249 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 102.29 -0.16 50.53 Favored Glycine 0 CA--C 1.533 1.163 0 C-N-CA 125.474 1.511 . . . . 0.0 113.245 171.297 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -93.67 162.12 14.07 Favored 'General case' 0 C--O 1.228 -0.06 0 C-N-CA 124.481 1.113 . . . . 0.0 109.728 -173.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -138.51 118.94 13.77 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 79.8 m -146.25 165.23 29.84 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 125.733 1.613 . . . . 0.0 108.186 172.469 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -76.54 143.33 40.43 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 172.164 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 96.1 t -140.15 136.93 37.86 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 N-CA-C 106.778 -1.564 . . . . 0.0 106.778 174.589 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.1 mt -74.85 148.43 40.22 Favored 'General case' 0 CA--C 1.509 -0.625 0 O-C-N 121.833 -0.542 . . . . 0.0 111.466 178.076 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -57.5 -35.12 71.11 Favored Glycine 0 CA--C 1.521 0.45 0 C-N-CA 124.088 0.851 . . . . 0.0 113.311 -176.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1530 ' ' LYS . . . . . 0.448 ' HD2' ' H ' ' A' 1530 ' ' LYS . 0.0 OUTLIER -60.82 -18.74 57.41 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 118.855 1.328 . . . . 0.0 112.638 173.881 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -106.46 22.81 15.21 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.543 1.537 . . . . 0.0 111.605 -176.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1532 ' ' ILE . . . . . 0.405 ' HB ' ' HG ' ' A' 1602 ' ' LEU . 1.1 mt -133.64 137.65 52.34 Favored 'Isoleucine or valine' 0 C--N 1.346 0.426 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 70.6 mt -119.55 114.75 22.73 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 127.478 2.311 . . . . 0.0 104.777 -175.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1534 ' ' LEU . . . . . 0.554 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -108.51 -3.5 18.05 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 116.713 2.116 . . . . 0.0 116.713 -168.939 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 24.3 p -133.79 54.46 1.95 Allowed 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 106.02 -1.845 . . . . 0.0 106.02 -177.433 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 53.9 t0 -116.89 62.44 2.82 Favored Pre-proline 0 CA--C 1.538 0.514 0 N-CA-C 117.197 2.295 . . . . 0.0 117.197 -168.361 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -72.66 121.84 7.72 Favored 'Trans proline' 0 CA--C 1.545 1.028 1 N-CA-C 100.798 -4.347 . . . . 0.0 100.798 165.758 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1538 ' ' ILE . . . . . 0.493 HG21 HG11 ' A' 1544 ' ' VAL . 4.9 mm -60.01 122.39 65.74 Favored Pre-proline 0 CA--C 1.539 0.546 0 CA-C-N 119.298 0.954 . . . . 0.0 108.682 -168.005 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -62.14 144.97 96.48 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 121.869 1.713 . . . . 0.0 110.709 178.199 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1540 ' ' LEU . . . . . 0.421 ' H ' HD12 ' A' 1540 ' ' LEU . 4.0 mp -58.62 148.85 27.49 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 169.586 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 21.4 t70 73.02 -4.57 2.14 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.49 1.916 . . . . 0.0 113.507 -176.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 23.5 m -68.29 136.3 53.26 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 169.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -84.49 135.16 34.35 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 172.107 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1544 ' ' VAL . . . . . 0.493 HG11 HG21 ' A' 1538 ' ' ILE . 2.4 m -147.61 163.09 6.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 124.469 1.108 . . . . 0.0 109.17 -171.055 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 6.3 m -88.66 142.82 27.37 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 105.81 -1.922 . . . . 0.0 105.81 169.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -116.56 142.51 46.79 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 125.726 1.61 . . . . 0.0 107.052 176.068 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.1 112.23 9.07 Favored 'General case' 0 CA--C 1.514 -0.406 0 C-N-CA 123.992 0.917 . . . . 0.0 109.197 -169.554 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 19.5 m -65.5 140.92 58.62 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 104.847 -2.279 . . . . 0.0 104.847 168.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -60.14 16.51 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 117.818 2.525 . . . . 0.0 117.818 -168.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 38.0 t70 -131.94 -41.57 1.02 Allowed 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 117.354 -1.307 . . . . 0.0 112.747 175.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -172.0 -32.71 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 120.363 1.438 . . . . 0.0 114.299 172.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -53.93 120.09 5.89 Favored 'General case' 0 C--N 1.341 0.217 0 C-N-CA 124.108 0.963 . . . . 0.0 111.017 -168.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 3.2 t80 -118.03 132.31 56.39 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 125.353 1.461 . . . . 0.0 110.681 -168.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 2.7 p -152.45 177.81 10.21 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.05 1.34 . . . . 0.0 109.419 171.137 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -133.67 156.77 47.32 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 121.013 -1.054 . . . . 0.0 111.22 171.467 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -169.31 -161.64 20.06 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 126.427 1.965 . . . . 0.0 108.975 -172.087 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.4 t -129.94 142.83 42.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 CA-C-N 118.864 1.332 . . . . 0.0 109.618 -174.011 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 76.4 t -65.53 123.81 19.21 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 173.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 79.1 mttt -131.84 31.7 4.18 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 119.328 0.967 . . . . 0.0 111.55 171.273 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 166.44 177.34 38.33 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.328 -0.709 . . . . 0.0 111.328 169.009 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 7.3 m80 -141.1 155.41 46.13 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 126.436 1.895 . . . . 0.0 110.492 -174.054 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -150.34 160.81 43.46 Favored 'General case' 0 N--CA 1.46 0.057 0 C-N-CA 125.243 1.417 . . . . 0.0 107.542 170.015 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -130.57 125.53 34.43 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 106.2 -1.778 . . . . 0.0 106.2 169.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -151.18 140.35 21.21 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 -173.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 31.0 m 50.64 29.52 4.2 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.377 1.071 . . . . 0.0 113.42 179.356 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 66.51 34.33 87.37 Favored Glycine 0 CA--C 1.532 1.094 0 CA-C-O 119.336 -0.702 . . . . 0.0 112.282 -177.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -140.25 150.86 44.62 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 106.981 -1.488 . . . . 0.0 106.981 178.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 45.7 tp -96.3 134.17 39.76 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 124.483 1.113 . . . . 0.0 108.863 -171.316 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -125.94 155.73 40.87 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 125.066 1.346 . . . . 0.0 109.488 -173.053 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1570 ' ' TYR . . . . . 0.427 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 64.8 m-85 -138.45 127.54 24.12 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 106.087 -1.82 . . . . 0.0 106.087 -174.44 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.5 p -87.17 94.29 9.61 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 105.671 -1.974 . . . . 0.0 105.671 169.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 42.7 mm -76.58 127.96 37.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 106.425 -1.694 . . . . 0.0 106.425 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -83.32 124.29 30.47 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 104.237 -2.505 . . . . 0.0 104.237 168.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -144.78 136.97 26.11 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 105.239 -2.134 . . . . 0.0 105.239 -176.182 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 53.34 28.39 7.32 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.673 0.789 . . . . 0.0 112.292 -174.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 77.74 15.57 81.12 Favored Glycine 0 CA--C 1.531 1.065 0 CA-C-O 119.21 -0.772 . . . . 0.0 113.73 175.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -140.84 153.88 45.96 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 118.415 1.108 . . . . 0.0 109.239 177.099 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 68.2 mtm180 -88.28 145.81 25.66 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 119.144 0.884 . . . . 0.0 110.526 -176.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.7 tmtt? -143.63 132.37 22.56 Favored 'General case' 0 N--CA 1.46 0.068 0 N-CA-C 105.926 -1.879 . . . . 0.0 105.926 -175.075 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 89.9 m95 -80.82 131.24 35.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 118.779 0.718 . . . . 0.0 110.23 178.339 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -133.27 164.21 27.59 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.377 1.471 . . . . 0.0 107.103 169.465 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -110.94 165.39 11.9 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.039 0.935 . . . . 0.0 110.252 -176.267 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 24.8 ttp180 -43.92 -54.97 4.9 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 117.441 -1.266 . . . . 0.0 114.057 -177.242 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 2.0 ppp? -67.99 -20.33 65.02 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 120.773 1.624 . . . . 0.0 112.995 -178.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -89.35 -5.19 57.7 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.27 1.428 . . . . 0.0 111.116 176.087 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 67.8 t -118.77 92.92 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 N-CA-C 105.786 -1.931 . . . . 0.0 105.786 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1587 ' ' ILE . . . . . 0.412 HD11 ' CD2' ' B' ' 369' ' ' LEU . 9.6 pt -114.23 162.61 12.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -170.108 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 3.9 mt -111.57 118.62 36.21 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -173.577 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.22 142.58 42.48 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 105.885 -1.895 . . . . 0.0 105.885 169.168 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 3.0 pp -55.01 -34.97 63.9 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.87 1.214 . . . . 0.0 112.975 -169.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -64.5 -36.87 85.58 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 123.166 0.586 . . . . 0.0 110.751 179.136 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -69.56 -49.83 50.55 Favored 'General case' 0 C--O 1.223 -0.332 0 C-N-CA 124.462 1.105 . . . . 0.0 108.111 175.587 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -60.8 -28.29 68.04 Favored Glycine 0 C--N 1.338 0.651 0 C-N-CA 124.157 0.884 . . . . 0.0 112.296 -176.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -57.32 -42.49 81.97 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 118.35 1.075 . . . . 0.0 111.139 174.117 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -59.3 -24.73 63.54 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 118.248 0.476 . . . . 0.0 111.731 179.068 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 7.9 mp -93.94 -26.85 16.67 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.101 0.96 . . . . 0.0 110.834 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -56.71 -39.09 73.26 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 119.601 1.091 . . . . 0.0 111.403 -176.258 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -59.57 -20.19 53.94 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-O 118.027 -0.987 . . . . 0.0 113.289 179.458 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -114.55 -48.49 2.86 Favored 'General case' 0 C--N 1.346 0.425 0 CA-C-N 119.95 1.25 . . . . 0.0 112.137 177.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 9.2 m-30 -91.74 -9.57 43.22 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 124.137 0.975 . . . . 0.0 112.285 -170.037 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -57.82 129.15 49.11 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 125.549 1.547 . . . . 0.0 110.606 -179.217 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1602 ' ' LEU . . . . . 0.554 HD22 HD23 ' A' 1534 ' ' LEU . 0.7 OUTLIER -68.05 -51.19 49.59 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 118.356 1.078 . . . . 0.0 109.088 175.769 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.203 0 CA-C-N 113.558 -1.656 . . . . 0.0 109.967 -169.065 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 363' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 . . . . . 0 N--CA 1.495 1.789 0 N-CA-C 111.323 0.12 . . . . 0.0 111.323 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -62.39 -26.29 68.4 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 -171.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 365' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -145.19 174.2 11.28 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 124.657 1.183 . . . . 0.0 109.478 -179.067 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 366' ' ' SER . . . . . . . . . . . . . 11.5 m -55.73 168.96 0.37 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.132 1.773 . . . . 0.0 111.836 169.497 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 16.2 m -67.84 28.19 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 127.579 2.351 . . . . 0.0 114.627 -177.087 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 368' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -53.32 153.65 3.78 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 122.624 1.202 . . . . 0.0 111.804 -173.29 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 369' ' ' LEU . . . . . 0.412 ' CD2' HD11 ' A' 1587 ' ' ILE . 15.2 tp -41.58 135.17 2.21 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 127.457 2.303 . . . . 0.0 112.454 177.207 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 370' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.413 0 N-CA-C 105.175 -2.158 . . . . 0.0 105.175 169.625 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 371' ' ' SER . . . . . . . . . . . . . 3.7 p -60.73 -35.57 76.69 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 125.229 1.412 . . . . 0.0 112.794 -169.211 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 372' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt 47.57 -146.18 0.26 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.37 1.068 . . . . 0.0 109.143 -172.219 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 373' ' ' LYS . . . . . . . . . . . . . 59.3 mtmt -56.96 -27.0 60.84 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 119.16 0.891 . . . . 0.0 113.1 -174.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 374' ' ' GLY . . . . . . . . . . . . . . . 167.46 168.47 29.66 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 173.195 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -131.65 23.56 4.69 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.997 1.319 . . . . 0.0 110.438 -178.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 4.6 m -62.27 -23.1 66.51 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.599 1.16 . . . . 0.0 113.082 -177.277 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 15.9 m . . . . . 0 C--O 1.251 1.142 0 C-N-CA 125.893 1.677 . . . . 0.0 106.704 -176.843 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.663 0 CA-C-O 121.282 0.379 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 12.5 t60 -145.07 94.08 2.48 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 124.632 1.173 . . . . 0.0 108.008 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 26.8 ptm -154.65 168.88 25.3 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.311 1.444 . . . . 0.0 108.806 178.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 58.6 t30 -147.11 163.51 36.08 Favored 'General case' 0 C--O 1.233 0.193 0 C-N-CA 125.111 1.364 . . . . 0.0 108.369 176.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 48.8 m -49.81 107.7 0.17 Allowed 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 125.38 1.472 . . . . 0.0 110.214 177.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 94.1 m-85 64.27 -63.03 0.16 Allowed 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 127.6 2.36 . . . . 0.0 113.722 179.22 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 4.0 t -57.22 111.94 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 C-N-CA 125.933 1.693 . . . . 0.0 109.032 -175.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 116.19 -21.11 12.25 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 125.302 1.43 . . . . 0.0 112.935 178.515 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 9.4 mp -74.85 138.64 42.64 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 118.879 1.34 . . . . 0.0 110.628 -173.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -78.53 127.61 32.39 Favored 'General case' 0 N--CA 1.461 0.121 0 N-CA-C 106.272 -1.751 . . . . 0.0 106.272 168.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 17.5 m -146.74 -175.43 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 125.591 1.556 . . . . 0.0 107.564 -174.193 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 15.0 t -119.56 151.12 21.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 104.463 -2.421 . . . . 0.0 104.463 169.311 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -146.69 151.94 38.03 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 -171.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 77.4 tttt -83.75 133.27 34.79 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 106.507 -1.664 . . . . 0.0 106.507 176.223 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 26.2 t-105 -80.49 88.8 5.62 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 104.386 -2.45 . . . . 0.0 104.386 168.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 14.5 m -57.2 -27.6 62.12 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.149 0.98 . . . . 0.0 112.531 -171.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 10.0 m -69.72 -7.24 37.63 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-O 117.891 -1.052 . . . . 0.0 113.416 -179.304 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 36.0 t30 -148.47 -37.38 0.18 Allowed 'General case' 0 C--N 1.35 0.587 0 N-CA-C 115.274 1.583 . . . . 0.0 115.274 169.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . 149.93 -38.03 0.93 Allowed Glycine 0 C--N 1.348 1.221 0 N-CA-C 118.082 1.993 . . . . 0.0 118.082 169.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 4.7 m-30 -81.48 166.5 20.28 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.791 1.795 . . . . 0.0 111.27 -169.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -110.71 112.9 25.1 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 106.786 -1.561 . . . . 0.0 106.786 -170.437 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -113.09 151.49 30.72 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 -173.292 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 2.7 m -67.48 151.53 47.22 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 124.178 0.991 . . . . 0.0 110.396 177.44 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -171.37 -177.33 41.06 Favored Glycine 0 C--N 1.333 0.386 0 O-C-N 121.47 -0.769 . . . . 0.0 112.552 178.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 36.2 mtmt -131.96 129.06 39.7 Favored 'General case' 0 CA--C 1.517 -0.312 0 C-N-CA 126.234 1.813 . . . . 0.0 106.253 -174.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 15.7 mt -73.02 130.68 35.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 -177.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 72.9 p -105.39 -36.25 7.24 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 123.153 0.581 . . . . 0.0 110.362 -170.647 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -168.02 142.26 3.46 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 124.209 1.004 . . . . 0.0 111.044 175.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 6.1 t70 -69.51 102.93 1.92 Allowed 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.144 1.377 . . . . 0.0 107.374 168.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.4 t -64.5 -51.0 73.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 -176.386 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 145.96 165.06 11.22 Favored Glycine 0 C--N 1.339 0.696 0 N-CA-C 109.697 -1.361 . . . . 0.0 109.697 178.429 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 60.07 6.42 0.96 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.146 1.378 . . . . 0.0 114.706 178.525 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 105.72 -7.35 42.02 Favored Glycine 0 C--N 1.337 0.629 0 C-N-CA 124.788 1.185 . . . . 0.0 110.982 -173.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -74.68 138.84 43.09 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-N 120.515 2.158 . . . . 0.0 108.155 169.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -127.78 136.87 52.08 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 105.051 -2.203 . . . . 0.0 105.051 169.419 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -83.96 138.71 33.0 Favored 'General case' 0 CA--C 1.51 -0.575 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 176.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.1 mm? -124.52 119.07 28.05 Favored 'General case' 0 CA--C 1.508 -0.651 0 C-N-CA 124.862 1.265 . . . . 0.0 108.401 -169.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 28.8 tp -83.54 93.45 7.84 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 103.68 -2.711 . . . . 0.0 103.68 168.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -54.65 147.39 14.61 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 172.588 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -61.98 -20.77 64.22 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.115 0.566 . . . . 0.0 110.8 -178.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.5 -20.07 64.24 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 128.025 2.53 . . . . 0.0 111.124 173.646 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 102.22 2.14 51.18 Favored Glycine 0 CA--C 1.538 1.517 0 C-N-CA 126.305 1.907 . . . . 0.0 113.525 -178.263 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -89.87 159.94 16.71 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 125.211 1.404 . . . . 0.0 109.227 -175.349 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -141.85 117.95 10.66 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 -174.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 62.0 m -143.88 161.03 39.73 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 125.202 1.401 . . . . 0.0 108.024 177.504 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -78.85 145.42 34.24 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 170.385 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 80.5 t -141.9 140.48 30.15 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.242 0 N-CA-C 106.722 -1.584 . . . . 0.0 106.722 174.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 5.6 mt -77.41 149.17 35.17 Favored 'General case' 0 CA--C 1.512 -0.514 0 O-C-N 121.972 -0.455 . . . . 0.0 111.617 177.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -54.73 -39.36 67.04 Favored Glycine 0 C--N 1.335 0.524 0 C-N-CA 124.743 1.164 . . . . 0.0 112.426 -175.428 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.01 -31.47 63.11 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-N 117.974 0.887 . . . . 0.0 111.743 177.131 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -98.54 23.81 8.16 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.676 1.59 . . . . 0.0 112.996 -173.147 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -127.38 132.59 69.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 N-CA-C 105.717 -1.957 . . . . 0.0 105.717 178.309 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 55.1 mt -113.15 106.34 14.53 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 127.688 2.395 . . . . 0.0 104.833 -172.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1534 ' ' LEU . . . . . 0.567 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -103.12 -2.74 26.89 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 116.223 1.934 . . . . 0.0 116.223 -169.176 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 20.8 p -133.41 54.54 1.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 105.899 -1.889 . . . . 0.0 105.899 -176.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 52.0 t0 -120.4 61.22 8.22 Favored Pre-proline 0 CA--C 1.538 0.506 0 N-CA-C 116.626 2.084 . . . . 0.0 116.626 -167.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -71.92 122.75 8.75 Favored 'Trans proline' 0 CA--C 1.545 1.026 1 N-CA-C 100.367 -4.513 . . . . 0.0 100.367 165.429 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1538 ' ' ILE . . . . . 0.432 HG21 HG11 ' A' 1544 ' ' VAL . 5.2 mm -60.06 120.76 53.55 Favored Pre-proline 0 CA--C 1.541 0.608 0 CA-C-N 119.779 1.172 . . . . 0.0 109.358 -167.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -61.9 144.66 96.83 Favored 'Trans proline' 0 N--CA 1.453 -0.903 0 C-N-CA 122.052 1.835 . . . . 0.0 110.486 178.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1540 ' ' LEU . . . . . 0.493 ' H ' HD12 ' A' 1540 ' ' LEU . 4.2 mp -60.18 147.69 38.93 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 169.522 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 23.9 t70 75.69 -5.83 2.1 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 127.554 2.342 . . . . 0.0 113.694 -174.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 22.4 m -68.86 133.04 47.71 Favored 'General case' 0 C--O 1.238 0.494 0 O-C-N 120.971 -1.081 . . . . 0.0 108.333 171.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -75.69 136.21 40.38 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 169.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1544 ' ' VAL . . . . . 0.432 HG11 HG21 ' A' 1538 ' ' ILE . 2.4 m -146.2 159.62 11.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 C-N-CA 124.489 1.115 . . . . 0.0 109.328 -175.194 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 3.5 m -89.42 128.18 35.91 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 105.117 -2.179 . . . . 0.0 105.117 169.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -94.13 140.74 29.37 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 171.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.43 99.17 3.77 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.67 0.788 . . . . 0.0 110.049 -170.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 6.1 m -62.39 121.22 12.67 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 103.886 -2.635 . . . . 0.0 103.886 169.045 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -44.6 -26.45 0.37 Allowed 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 127.115 2.166 . . . . 0.0 116.658 -167.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 26.9 t70 -70.21 -44.82 67.85 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 119.466 1.03 . . . . 0.0 111.973 177.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 175.38 -26.54 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.692 1.597 . . . . 0.0 113.975 176.157 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -53.79 120.5 6.35 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 118.97 0.805 . . . . 0.0 111.153 -169.158 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 1.8 t80 -115.52 133.3 56.16 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 125.005 1.322 . . . . 0.0 110.375 -168.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 6.1 p -152.41 177.1 10.96 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 125.67 1.588 . . . . 0.0 109.141 171.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -134.42 156.13 49.09 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 119.415 1.007 . . . . 0.0 110.536 169.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -171.46 -160.63 20.44 Favored Glycine 0 CA--C 1.525 0.669 0 C-N-CA 126.277 1.894 . . . . 0.0 108.552 -171.298 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 4.5 t -131.9 141.74 44.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-N 118.561 1.18 . . . . 0.0 109.623 -173.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 73.9 t -65.04 125.25 21.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 171.483 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 81.7 mttt -131.16 20.67 4.87 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 119.451 1.023 . . . . 0.0 111.544 169.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 178.98 179.17 48.64 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.568 -0.613 . . . . 0.0 111.568 170.378 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 8.5 m80 -141.64 153.95 45.06 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 126.731 2.013 . . . . 0.0 110.778 -172.624 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -148.18 159.4 43.99 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 170.026 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 14.4 mmtp -127.06 127.6 44.96 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 106.031 -1.84 . . . . 0.0 106.031 169.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -149.92 138.34 20.62 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 -175.421 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 24.4 m 50.64 30.74 5.11 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.397 1.079 . . . . 0.0 113.001 -177.238 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 64.95 34.76 90.74 Favored Glycine 0 CA--C 1.532 1.1 0 C-N-CA 123.692 0.663 . . . . 0.0 112.192 -177.112 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -139.94 153.61 46.98 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 125.005 1.322 . . . . 0.0 107.892 -176.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 30.0 tp -96.92 133.4 41.61 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 124.248 1.019 . . . . 0.0 112.285 -169.432 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -128.21 158.56 37.76 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 125.937 1.695 . . . . 0.0 109.916 -176.141 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -141.04 131.8 25.77 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 -174.605 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.1 p -89.67 100.82 13.54 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 105.022 -2.214 . . . . 0.0 105.022 169.666 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 39.1 mm -80.43 126.99 39.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 106.604 -1.628 . . . . 0.0 106.604 177.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -87.19 126.12 34.6 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 104.795 -2.298 . . . . 0.0 104.795 168.519 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -145.51 134.79 22.94 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 105.241 -2.133 . . . . 0.0 105.241 -173.055 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 51.55 33.14 9.99 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.305 0.957 . . . . 0.0 112.6 -176.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 71.66 19.5 77.98 Favored Glycine 0 CA--C 1.532 1.116 0 CA-C-O 119.114 -0.826 . . . . 0.0 113.765 176.693 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -141.61 164.55 29.92 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.921 1.289 . . . . 0.0 108.325 177.309 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -112.41 142.77 44.55 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 119.577 1.08 . . . . 0.0 111.007 -169.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -143.21 132.28 23.03 Favored 'General case' 0 N--CA 1.461 0.075 0 N-CA-C 106.85 -1.537 . . . . 0.0 106.85 -171.209 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 88.1 m95 -81.06 130.16 34.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 118.63 0.65 . . . . 0.0 109.95 177.272 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -133.32 166.73 21.82 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.058 1.343 . . . . 0.0 107.497 169.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -115.43 167.6 10.73 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.999 1.32 . . . . 0.0 110.3 -178.36 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 23.5 ttp-105 -42.96 -56.39 3.32 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 119.966 1.257 . . . . 0.0 113.516 -172.327 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 1.9 ppp? -73.44 -12.26 60.74 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 120.71 1.595 . . . . 0.0 113.899 -175.463 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -92.36 -3.01 55.98 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.928 1.691 . . . . 0.0 110.936 169.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 58.2 t -120.98 89.82 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.586 0 N-CA-C 106.166 -1.79 . . . . 0.0 106.166 175.545 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 8.6 pt -108.15 166.04 4.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 -173.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 6.0 mt -111.41 120.07 40.94 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 -173.349 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 1.2 m -58.76 149.0 27.58 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 107.307 -1.368 . . . . 0.0 107.307 169.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.0 pp -53.13 -41.83 65.43 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 -168.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -66.13 -33.11 75.03 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.117 0.484 . . . . 0.0 109.811 -177.045 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -77.51 -47.78 18.69 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 -178.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -52.32 -37.04 47.12 Favored Glycine 0 C--N 1.34 0.771 0 CA-C-N 118.541 0.609 . . . . 0.0 112.054 173.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -58.48 -45.46 88.63 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 117.863 0.832 . . . . 0.0 111.743 176.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -64.05 -18.19 64.1 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 123.001 0.52 . . . . 0.0 112.09 -178.469 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.3 mp -94.29 -29.58 14.98 Favored 'General case' 0 C--N 1.341 0.205 0 C-N-CA 124.17 0.988 . . . . 0.0 110.386 173.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -56.22 -39.0 71.82 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 124.873 1.269 . . . . 0.0 111.955 -175.651 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -59.55 -20.34 54.95 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 118.183 -0.913 . . . . 0.0 113.46 178.236 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -114.42 -47.73 2.91 Favored 'General case' 0 C--N 1.345 0.396 0 CA-C-N 120.091 1.314 . . . . 0.0 111.822 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.6 m-30 -91.68 -10.03 41.71 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 124.587 1.155 . . . . 0.0 112.507 -170.13 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -51.7 129.95 34.61 Favored Glycine 0 CA--C 1.529 0.962 0 C-N-CA 125.597 1.57 . . . . 0.0 110.442 175.18 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1602 ' ' LEU . . . . . 0.567 HD22 HD23 ' A' 1534 ' ' LEU . 1.2 mt -64.76 -42.53 95.06 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 118.098 0.949 . . . . 0.0 109.473 173.809 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.227 0 N-CA-C 109.093 -1.603 . . . . 0.0 109.093 -173.977 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 363' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 . . . . . 0 N--CA 1.493 1.679 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -118.98 -31.6 4.7 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.79 0.836 . . . . 0.0 111.546 172.315 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 365' ' ' HIS . . . . . . . . . . . . . 39.8 t60 -156.41 166.38 33.58 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 126.258 1.823 . . . . 0.0 107.249 177.038 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 366' ' ' SER . . . . . . . . . . . . . 64.8 m -74.45 -174.47 2.05 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 118.342 0.519 . . . . 0.0 111.212 170.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 6.9 m -58.47 -28.08 65.01 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.608 1.163 . . . . 0.0 113.083 179.435 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 368' ' ' HIS . . . . . . . . . . . . . 10.4 t60 47.38 -105.01 0.12 Allowed 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 126.043 1.737 . . . . 0.0 110.25 -173.505 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 369' ' ' LEU . . . . . 0.652 ' HG ' ' H ' ' B' ' 371' ' ' SER . 14.8 tp -157.81 145.95 18.9 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 124.508 1.123 . . . . 0.0 108.235 -171.728 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 370' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.531 0 C-N-CA 126.386 1.874 . . . . 0.0 110.434 172.515 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 371' ' ' SER . . . . . 0.652 ' H ' ' HG ' ' B' ' 369' ' ' LEU 0.351 3.1 p 45.19 23.31 0.1 Allowed 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 129.79 3.236 . . . . 0.0 114.618 -169.686 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 372' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -142.26 -63.59 0.43 Allowed 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 104.531 -2.396 . . . . 0.0 104.531 169.4 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 373' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -74.31 143.05 45.12 Favored 'General case' 0 C--N 1.34 0.191 0 N-CA-C 105.946 -1.872 . . . . 0.0 105.946 168.486 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 374' ' ' GLY . . . . . . . . . . . . . . . 116.07 -62.85 0.36 Allowed Glycine 0 CA--C 1.519 0.306 0 N-CA-C 109.202 -1.559 . . . . 0.0 109.202 176.288 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 15.5 pm0 -72.59 -23.0 60.89 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 118.077 0.938 . . . . 0.0 111.611 171.373 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 25.2 m -142.61 176.3 9.14 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.44 1.896 . . . . 0.0 108.343 177.399 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 16.1 m . . . . . 0 C--O 1.253 1.265 0 N-CA-C 106.835 -1.543 . . . . 0.0 106.835 175.489 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.732 0 CA-C-O 121.23 0.35 . . . . 0.0 112.413 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -150.2 154.24 37.64 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 125.135 1.374 . . . . 0.0 108.793 179.014 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 76.8 mtm -144.75 -48.18 0.25 Allowed 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 124.209 1.004 . . . . 0.0 110.254 176.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -156.07 154.78 31.51 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 125.331 1.453 . . . . 0.0 107.498 178.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 45.2 m -49.88 -47.87 51.67 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.792 1.237 . . . . 0.0 113.297 176.346 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -151.84 -50.4 0.11 Allowed 'General case' 0 C--O 1.223 -0.292 0 C-N-CA 123.078 0.551 . . . . 0.0 110.823 -170.067 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 6.0 t -61.8 116.74 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 C-N-CA 125.558 1.543 . . . . 0.0 108.738 -172.468 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 110.29 -19.85 26.46 Favored Glycine 0 CA--C 1.53 0.983 0 C-N-CA 124.863 1.22 . . . . 0.0 112.749 179.089 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 10.0 mp -74.89 138.8 42.68 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 118.863 1.331 . . . . 0.0 110.594 -173.399 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 71.0 mtm180 -76.79 125.4 29.21 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 106.124 -1.806 . . . . 0.0 106.124 168.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 18.4 m -145.7 -170.29 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 C-N-CA 125.773 1.629 . . . . 0.0 107.85 -174.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 5.3 t -126.54 149.01 31.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 105.524 -2.028 . . . . 0.0 105.524 170.153 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -146.27 150.73 36.34 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 124.474 1.11 . . . . 0.0 108.56 -169.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 74.4 tttt -83.08 128.21 34.27 Favored 'General case' 0 CA--C 1.508 -0.641 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 178.386 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 42.1 t-105 -68.53 125.81 27.66 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 169.536 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 1.4 m -56.76 -24.26 48.8 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 116.79 2.144 . . . . 0.0 116.79 -168.474 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 7.6 m -80.41 51.34 1.42 Allowed 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 120.312 1.415 . . . . 0.0 111.174 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 66.7 t30 43.97 45.46 6.55 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 127.142 2.177 . . . . 0.0 112.758 -171.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -91.17 -174.27 43.67 Favored Glycine 0 C--N 1.338 0.657 0 CA-C-O 122.177 0.876 . . . . 0.0 113.1 -174.058 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 14.3 m-30 -72.04 169.3 16.27 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 125.375 1.47 . . . . 0.0 110.582 169.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -85.18 109.99 18.69 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 107.078 -1.453 . . . . 0.0 107.078 172.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -101.52 149.13 24.4 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 124.539 1.136 . . . . 0.0 108.385 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 7.1 m -71.88 147.55 46.99 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 122.979 0.512 . . . . 0.0 110.257 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -171.26 -176.83 40.64 Favored Glycine 0 CA--C 1.522 0.521 0 CA-C-O 121.663 0.591 . . . . 0.0 112.17 -174.471 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 39.4 mtmt -131.54 128.11 38.6 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 106.265 -1.754 . . . . 0.0 106.265 -171.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 14.2 mt -72.02 134.78 29.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 -179.138 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 49.4 p -109.24 -36.05 6.13 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 122.865 0.466 . . . . 0.0 110.8 -172.023 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -167.78 142.86 3.77 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.953 0.901 . . . . 0.0 111.103 175.206 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 5.9 t0 -70.4 102.35 2.16 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 124.859 1.263 . . . . 0.0 107.672 168.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.5 t -64.0 -50.73 75.93 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 N-CA-C 108.995 -0.742 . . . . 0.0 108.995 -175.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 146.45 163.96 10.7 Favored Glycine 0 C--N 1.337 0.616 0 N-CA-C 109.78 -1.328 . . . . 0.0 109.78 179.164 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 60.08 5.79 0.84 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.265 1.426 . . . . 0.0 114.677 178.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 105.76 -6.75 41.29 Favored Glycine 0 C--N 1.34 0.754 0 C-N-CA 124.91 1.243 . . . . 0.0 111.254 -173.198 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -74.85 139.07 42.94 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 120.482 2.141 . . . . 0.0 107.945 169.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -127.91 137.14 52.19 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 105.149 -2.167 . . . . 0.0 105.149 169.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -83.7 137.87 33.57 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 176.479 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 2.9 mm? -124.98 118.18 25.67 Favored 'General case' 0 CA--C 1.511 -0.54 0 C-N-CA 124.916 1.286 . . . . 0.0 108.669 -169.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 46.5 tp -83.74 94.56 8.18 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 104.402 -2.444 . . . . 0.0 104.402 169.146 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -58.89 154.15 15.77 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 173.55 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -68.85 -21.89 64.25 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.862 -0.524 . . . . 0.0 112.037 -173.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 34.9 p-10 -76.34 0.88 17.87 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.747 1.219 . . . . 0.0 112.438 170.176 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 94.94 -0.91 64.85 Favored Glycine 0 CA--C 1.53 1.026 0 C-N-CA 125.803 1.668 . . . . 0.0 113.818 169.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -75.47 156.64 35.03 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.04 0.92 . . . . 0.0 109.128 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -141.06 118.08 11.2 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 -178.059 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 97.7 m -142.56 164.28 30.54 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 125.228 1.411 . . . . 0.0 107.906 173.232 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -80.6 143.08 33.44 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 170.105 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 79.2 t -140.33 139.67 35.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 106.666 -1.605 . . . . 0.0 106.666 176.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 5.8 mt -76.22 150.74 37.02 Favored 'General case' 0 C--O 1.22 -0.451 0 C-N-CA 123.376 0.67 . . . . 0.0 112.012 179.081 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -55.72 -38.11 71.39 Favored Glycine 0 C--N 1.334 0.46 0 C-N-CA 124.559 1.076 . . . . 0.0 112.954 -177.153 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -26.08 64.33 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 118.275 1.037 . . . . 0.0 112.454 176.016 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -97.86 18.36 16.02 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.267 1.427 . . . . 0.0 112.542 -174.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -128.95 136.03 60.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 N-CA-C 106.469 -1.678 . . . . 0.0 106.469 -178.007 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 67.7 mt -117.12 114.32 23.54 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 104.284 -2.488 . . . . 0.0 104.284 -173.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1534 ' ' LEU . . . . . 0.556 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -111.88 -2.87 15.05 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 116.27 1.952 . . . . 0.0 116.27 -169.524 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 24.4 p -130.29 56.21 1.77 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 104.423 -2.436 . . . . 0.0 104.423 179.663 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -98.96 15.75 0.05 OUTLIER Pre-proline 0 CA--C 1.542 0.639 0 N-CA-C 121.034 3.716 . . . . 0.0 121.034 -167.658 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -55.12 117.45 4.04 Favored 'Trans proline' 0 C--N 1.354 0.858 0 CA-C-N 125.177 2.885 . . . . 0.0 106.311 169.405 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 4.7 mm -60.94 125.19 82.91 Favored Pre-proline 0 CA--C 1.54 0.561 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 -168.21 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -62.76 142.11 87.77 Favored 'Trans proline' 0 N--CA 1.456 -0.726 0 C-N-CA 121.918 1.745 . . . . 0.0 110.121 173.051 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1540 ' ' LEU . . . . . 0.476 ' H ' HD12 ' A' 1540 ' ' LEU . 3.9 mp -57.7 148.44 24.65 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 169.613 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 23.1 t70 75.57 -6.07 2.05 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.98 2.112 . . . . 0.0 113.436 -176.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 23.0 m -68.96 138.48 54.61 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 169.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -82.86 140.1 33.09 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 107.143 -1.428 . . . . 0.0 107.143 172.195 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 1.7 m -147.24 160.38 8.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 C-N-CA 124.289 1.036 . . . . 0.0 108.739 -174.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 3.6 m -89.23 130.86 35.57 Favored 'General case' 0 N--CA 1.441 -0.891 0 N-CA-C 105.251 -2.129 . . . . 0.0 105.251 169.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -96.21 140.42 30.92 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 107.436 -1.32 . . . . 0.0 107.436 170.045 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.39 99.75 4.05 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 -171.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 11.9 m -60.15 121.7 12.57 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 103.968 -2.604 . . . . 0.0 103.968 168.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -45.38 -32.37 2.05 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 125.669 1.587 . . . . 0.0 114.975 -168.251 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 38.8 t70 -67.9 -39.59 83.57 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 117.722 -1.132 . . . . 0.0 113.019 -179.299 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 173.58 -30.38 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.444 1.498 . . . . 0.0 114.757 173.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -54.82 128.86 34.94 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 123.89 0.876 . . . . 0.0 112.035 -168.288 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 2.7 t80 -124.25 127.35 47.55 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 124.897 1.279 . . . . 0.0 111.703 -168.592 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 4.0 p -151.75 177.49 10.34 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.154 1.382 . . . . 0.0 109.291 169.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -132.27 156.24 46.87 Favored 'General case' 0 CA--C 1.532 0.275 0 O-C-N 120.621 -1.299 . . . . 0.0 110.995 173.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.42 -163.09 23.87 Favored Glycine 0 CA--C 1.525 0.694 0 C-N-CA 126.508 2.004 . . . . 0.0 108.892 -170.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 4.0 t -130.54 142.52 43.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-N 119.127 1.464 . . . . 0.0 109.71 -171.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 85.9 t -66.54 126.17 25.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 173.009 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 87.3 mttt -133.21 21.07 4.04 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.878 0.871 . . . . 0.0 111.422 169.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -178.41 173.64 46.01 Favored Glycine 0 C--N 1.34 0.755 0 O-C-N 121.337 -0.852 . . . . 0.0 112.04 169.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 13.1 m80 -138.85 152.95 48.25 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 126.525 1.93 . . . . 0.0 110.166 -175.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 33.5 ttt85 -146.39 156.15 43.11 Favored 'General case' 0 C--O 1.231 0.09 0 N-CA-C 106.886 -1.524 . . . . 0.0 106.886 169.63 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 11.4 mmtp -127.18 134.27 50.18 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 106.176 -1.786 . . . . 0.0 106.176 170.457 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -148.39 124.42 10.7 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 107.505 -1.295 . . . . 0.0 107.505 -177.56 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 19.2 m 49.08 37.05 9.83 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.835 1.254 . . . . 0.0 114.182 173.204 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 76.77 23.38 69.82 Favored Glycine 0 CA--C 1.534 1.222 0 CA-C-O 119.524 -0.598 . . . . 0.0 112.867 178.304 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -129.6 153.89 47.62 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 125.522 1.529 . . . . 0.0 107.015 178.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 49.6 tp -114.14 136.97 52.36 Favored 'General case' 0 CA--C 1.518 -0.283 0 C-N-CA 124.073 0.949 . . . . 0.0 109.631 -168.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -130.35 157.17 43.28 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 125.743 1.617 . . . . 0.0 109.431 -172.324 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -141.38 132.76 26.7 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 -174.119 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 14.9 t -82.57 106.95 14.84 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 102.202 -3.259 . . . . 0.0 102.202 168.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 25.8 mm -88.9 123.59 41.25 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 N-CA-C 105.418 -2.067 . . . . 0.0 105.418 171.214 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -84.4 118.31 24.17 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 104.047 -2.575 . . . . 0.0 104.047 168.596 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -144.45 135.11 24.79 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 105.405 -2.072 . . . . 0.0 105.405 -169.512 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 50.83 34.18 9.82 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 119.269 0.94 . . . . 0.0 112.066 -170.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 69.69 20.27 75.63 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 119.048 -0.862 . . . . 0.0 113.932 176.093 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -142.19 157.27 45.05 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 118.598 1.199 . . . . 0.0 108.98 178.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -98.11 132.36 43.71 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.635 0.774 . . . . 0.0 109.227 -169.391 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -140.83 128.88 22.04 Favored 'General case' 0 N--CA 1.457 -0.078 0 N-CA-C 106.758 -1.571 . . . . 0.0 106.758 -169.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 92.8 m95 -81.19 124.56 29.38 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 177.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -126.24 162.56 25.17 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 169.637 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -107.82 167.09 10.22 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.648 1.179 . . . . 0.0 110.591 -176.239 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -49.38 -44.17 44.73 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 119.905 1.229 . . . . 0.0 113.638 -176.611 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -72.99 -18.33 61.37 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 121.518 1.963 . . . . 0.0 113.934 178.325 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -95.27 -4.3 45.9 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 126.75 2.02 . . . . 0.0 110.825 176.021 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 87.7 t -120.21 90.39 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 N-CA-C 104.269 -2.493 . . . . 0.0 104.269 179.202 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 11.7 pt -110.91 159.17 11.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 106.566 -1.642 . . . . 0.0 106.566 -171.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 3.3 mt -103.44 114.24 28.37 Favored 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 -174.575 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.11 145.69 12.86 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 169.742 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.4 pp -53.71 -37.75 63.59 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 114.182 1.178 . . . . 0.0 114.182 -168.403 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 31.2 tp10 -66.78 -37.65 85.0 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 121.647 -0.658 . . . . 0.0 110.146 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -71.51 -49.25 42.82 Favored 'General case' 0 C--O 1.224 -0.246 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 -178.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -63.03 -28.37 71.97 Favored Glycine 0 C--N 1.34 0.765 0 CA-C-O 119.178 -0.79 . . . . 0.0 111.99 -178.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -59.84 -43.19 94.73 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 118.832 1.316 . . . . 0.0 111.615 173.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 20.3 mtt-85 -63.56 -16.92 62.15 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.546 0.572 . . . . 0.0 112.546 177.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 9.0 mp -93.99 -29.69 15.1 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 124.288 1.035 . . . . 0.0 110.708 171.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 67.5 ttp85 -57.58 -38.86 75.55 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.578 1.151 . . . . 0.0 111.642 -175.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -58.32 -21.6 49.99 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 118.144 -0.931 . . . . 0.0 113.15 178.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -115.16 -45.98 2.92 Favored 'General case' 0 C--N 1.346 0.43 0 CA-C-N 119.905 1.23 . . . . 0.0 112.243 178.441 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 9.2 m-30 -92.55 -8.68 43.73 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 124.482 1.113 . . . . 0.0 112.777 -169.593 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -53.14 131.34 41.59 Favored Glycine 0 CA--C 1.527 0.827 0 C-N-CA 125.791 1.662 . . . . 0.0 110.881 175.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1602 ' ' LEU . . . . . 0.556 HD22 HD23 ' A' 1534 ' ' LEU . 0.8 OUTLIER -66.07 -41.92 90.08 Favored 'General case' 0 C--N 1.342 0.244 0 CA-C-N 118.497 1.148 . . . . 0.0 109.288 173.496 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.094 0 CA-C-O 117.325 -1.82 . . . . 0.0 111.35 -173.736 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 363' ' ' ARG . . . . . . . . . . . . . 35.3 ptt180 . . . . . 0 N--CA 1.493 1.675 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -130.05 136.92 49.91 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 106.035 -1.839 . . . . 0.0 106.035 169.367 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 365' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -73.42 172.02 12.03 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 123.423 0.689 . . . . 0.0 110.936 -176.026 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 366' ' ' SER . . . . . . . . . . . . . 8.3 m -59.85 178.69 0.16 Allowed 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.914 1.686 . . . . 0.0 111.897 169.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 14.7 m -69.83 57.47 0.14 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 127.069 2.147 . . . . 0.0 113.491 -176.632 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 368' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -54.66 152.15 7.3 Favored 'General case' 0 C--O 1.238 0.483 0 O-C-N 121.049 -1.032 . . . . 0.0 111.154 -179.355 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 3.2 tp -53.3 141.74 23.24 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 113.913 -1.494 . . . . 0.0 108.489 169.233 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 370' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.37 0 C-N-CA 124.253 1.021 . . . . 0.0 111.186 178.732 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 371' ' ' SER . . . . . . . . . . . . 0.259 3.5 p 43.77 39.64 2.64 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 128.174 2.59 . . . . 0.0 113.296 177.598 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 372' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -64.85 162.2 16.74 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 124.043 0.937 . . . . 0.0 110.436 -179.601 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 373' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -57.03 -29.35 63.3 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 175.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 374' ' ' GLY . . . . . . . . . . . . . . . -75.3 -31.82 56.55 Favored Glycine 0 CA--C 1.533 1.211 0 CA-C-O 119.643 -0.532 . . . . 0.0 112.606 178.354 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -79.56 -31.93 42.01 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 117.925 0.863 . . . . 0.0 110.507 175.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 35.0 m -64.9 159.96 21.59 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.145 0.978 . . . . 0.0 111.339 175.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 6.6 m . . . . . 0 C--O 1.255 1.363 0 C-N-CA 124.173 0.989 . . . . 0.0 109.218 172.405 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.735 0 N-CA-C 112.144 -0.382 . . . . 0.0 112.144 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -68.72 169.15 11.79 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 122.001 -0.705 . . . . 0.0 111.08 176.035 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 38.6 mmt -61.62 167.18 3.65 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.47 1.108 . . . . 0.0 111.194 171.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 43.5 t30 -137.84 159.11 42.87 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 125.673 1.589 . . . . 0.0 109.045 -178.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 16.6 m -62.51 94.28 0.06 Allowed 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.715 1.206 . . . . 0.0 110.119 175.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 89.5 m-85 67.76 -65.29 0.25 Allowed 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 128.015 2.526 . . . . 0.0 113.596 171.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 5.2 t -57.51 113.29 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 C-N-CA 125.457 1.503 . . . . 0.0 108.656 -174.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 117.83 -23.36 9.47 Favored Glycine 0 CA--C 1.533 1.194 0 C-N-CA 125.671 1.605 . . . . 0.0 112.536 178.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 8.8 mp -75.24 139.61 42.68 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 118.904 1.352 . . . . 0.0 111.329 -172.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 49.8 mtp180 -79.52 127.03 31.64 Favored 'General case' 0 CA--C 1.529 0.148 0 N-CA-C 105.166 -2.161 . . . . 0.0 105.166 167.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 18.5 m -143.44 -178.29 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 C-N-CA 125.778 1.631 . . . . 0.0 107.181 -174.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 5.0 t -115.52 143.67 24.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 104.945 -2.243 . . . . 0.0 104.945 169.484 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -146.47 153.15 40.1 Favored 'General case' 0 CA--C 1.516 -0.328 0 C-N-CA 123.815 0.846 . . . . 0.0 108.935 -169.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 84.1 tttt -80.74 133.84 35.73 Favored 'General case' 0 CA--C 1.509 -0.601 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 178.433 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 13.6 t-105 -76.47 101.52 5.64 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 105.258 -2.127 . . . . 0.0 105.258 169.478 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.71 -33.35 66.4 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.7 1.6 . . . . 0.0 113.765 -169.698 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 6.6 m -76.26 -5.92 49.11 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 -173.106 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 10.5 t30 -148.59 -47.83 0.15 Allowed 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.926 1.239 . . . . 0.0 112.588 173.594 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . 133.3 178.28 15.47 Favored Glycine 0 CA--C 1.527 0.838 0 C-N-CA 124.1 0.857 . . . . 0.0 111.34 -171.187 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 3.5 m-30 72.0 151.32 0.11 Allowed 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 129.195 2.998 . . . . 0.0 110.633 -172.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -111.51 119.77 39.88 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 -169.314 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -116.39 154.09 30.88 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 125.029 1.331 . . . . 0.0 108.549 -172.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 5.3 m -65.17 144.19 57.37 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 123.055 0.542 . . . . 0.0 110.742 173.098 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -169.29 178.97 42.18 Favored Glycine 0 N--CA 1.451 -0.344 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 178.554 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -125.34 128.36 48.08 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 125.67 1.588 . . . . 0.0 106.729 -173.226 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 20.4 mt -73.03 128.94 36.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 106.762 -1.57 . . . . 0.0 106.762 -178.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 69.5 p -104.6 -36.11 7.6 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 123.027 0.531 . . . . 0.0 110.178 -170.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -167.33 141.67 3.76 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.987 0.915 . . . . 0.0 111.535 176.599 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 7.2 t0 -70.06 103.68 2.35 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 125.06 1.344 . . . . 0.0 107.601 168.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.6 t -65.63 -50.47 71.36 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 C-N-CA 123.631 0.772 . . . . 0.0 109.311 -176.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 149.2 162.94 10.66 Favored Glycine 0 C--N 1.337 0.639 0 N-CA-C 109.65 -1.38 . . . . 0.0 109.65 177.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.61 11.2 0.82 Allowed 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 115.11 1.522 . . . . 0.0 115.11 177.529 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 102.32 -4.94 51.83 Favored Glycine 0 CA--C 1.524 0.632 0 C-N-CA 124.891 1.234 . . . . 0.0 111.545 -176.365 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 11.5 mtpp -75.44 133.99 40.98 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 120.606 2.203 . . . . 0.0 106.49 169.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -124.98 138.76 54.22 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 105.659 -1.978 . . . . 0.0 105.659 169.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -84.37 138.35 32.91 Favored 'General case' 0 CA--C 1.512 -0.506 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 176.532 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.2 mm? -125.65 118.47 25.73 Favored 'General case' 0 CA--C 1.512 -0.494 0 C-N-CA 125.018 1.327 . . . . 0.0 108.945 -169.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 41.1 tp -84.1 93.62 8.16 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 105.108 -2.182 . . . . 0.0 105.108 169.311 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -57.52 151.3 17.07 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 123.065 0.546 . . . . 0.0 109.567 174.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -69.32 -19.77 63.87 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.555 -171.122 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 38.1 p30 -80.49 2.49 25.08 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.026 1.331 . . . . 0.0 112.493 170.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 102.02 -3.79 52.13 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 125.502 1.525 . . . . 0.0 114.59 169.159 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -82.07 158.6 23.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 118.641 1.22 . . . . 0.0 110.476 -174.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -141.04 117.71 10.96 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 -176.033 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 99.5 m -144.68 167.97 21.3 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 126.257 1.823 . . . . 0.0 107.952 174.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -97.86 144.17 27.72 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 123.779 0.832 . . . . 0.0 109.931 177.349 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 86.1 t -144.41 136.16 21.76 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.367 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -170.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.9 mt -72.99 151.59 41.72 Favored 'General case' 0 CA--C 1.511 -0.53 0 C-N-CA 122.941 0.497 . . . . 0.0 111.528 178.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -56.67 -33.58 63.1 Favored Glycine 0 CA--C 1.526 0.752 0 C-N-CA 124.013 0.816 . . . . 0.0 112.896 178.434 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.16 -12.97 14.53 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.746 0.819 . . . . 0.0 112.781 174.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -120.77 22.61 11.08 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 126.233 1.813 . . . . 0.0 110.595 -173.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -133.1 137.7 53.04 Favored 'Isoleucine or valine' 0 C--N 1.346 0.427 0 N-CA-C 106.86 -1.533 . . . . 0.0 106.86 179.125 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 72.6 mt -119.25 114.09 21.87 Favored 'General case' 0 CA--C 1.52 -0.207 0 N-CA-C 104.481 -2.414 . . . . 0.0 104.481 -176.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1534 ' ' LEU . . . . . 0.574 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -109.06 -3.73 17.17 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 116.586 2.069 . . . . 0.0 116.586 -168.754 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 17.2 p -132.21 49.06 2.35 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 106.793 -1.558 . . . . 0.0 106.793 -177.627 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 50.7 t0 -115.76 65.14 2.43 Favored Pre-proline 0 C--O 1.238 0.462 0 N-CA-C 116.351 1.982 . . . . 0.0 116.351 -168.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -73.37 123.41 8.68 Favored 'Trans proline' 0 CA--C 1.544 0.981 1 N-CA-C 100.073 -4.626 . . . . 0.0 100.073 165.314 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1538 ' ' ILE . . . . . 0.564 HG21 HG11 ' A' 1544 ' ' VAL . 5.2 mm -59.54 121.0 53.84 Favored Pre-proline 0 CA--C 1.541 0.597 0 CA-C-N 119.506 1.048 . . . . 0.0 109.307 -167.781 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -62.35 145.93 95.81 Favored 'Trans proline' 0 N--CA 1.451 -0.978 0 C-N-CA 121.776 1.651 . . . . 0.0 110.461 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1540 ' ' LEU . . . . . 0.461 ' H ' HD12 ' A' 1540 ' ' LEU . 4.2 mp -60.52 148.45 37.81 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 169.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 25.3 t70 73.28 -4.83 2.1 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 127.16 2.184 . . . . 0.0 113.712 -175.05 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 25.0 m -68.72 132.53 46.99 Favored 'General case' 0 C--O 1.238 0.483 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 172.183 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -75.87 136.91 40.14 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 106.985 -1.487 . . . . 0.0 106.985 169.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1544 ' ' VAL . . . . . 0.564 HG11 HG21 ' A' 1538 ' ' ILE . 2.6 m -148.55 162.54 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 C-N-CA 124.559 1.144 . . . . 0.0 109.695 -174.591 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 3.5 m -89.13 130.19 35.61 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 105.821 -1.918 . . . . 0.0 105.821 169.607 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -97.07 138.64 34.28 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 171.204 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1547 ' ' LEU . . . . . 0.471 ' CD2' HD22 ' B' ' 369' ' ' LEU . 0.1 OUTLIER -138.4 99.29 3.8 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 123.55 0.74 . . . . 0.0 110.567 -169.828 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 18.4 m -61.93 122.93 16.67 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 104.258 -2.497 . . . . 0.0 104.258 169.057 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -51.63 -23.24 4.09 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 116.19 1.922 . . . . 0.0 116.19 -168.081 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 35.5 t70 -65.77 -53.41 40.79 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 119.259 0.936 . . . . 0.0 110.901 174.123 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -178.8 -20.67 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 169.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -53.2 126.37 20.7 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 119.93 1.241 . . . . 0.0 111.551 -169.084 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 11.2 t80 -122.45 128.52 50.98 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 124.339 1.056 . . . . 0.0 111.393 -168.167 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 2.6 p -151.63 176.92 10.88 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.956 1.302 . . . . 0.0 109.208 169.504 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -131.18 153.6 49.26 Favored 'General case' 0 CA--C 1.529 0.172 0 O-C-N 121.194 -0.941 . . . . 0.0 110.484 170.627 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -168.49 -159.65 14.6 Favored Glycine 0 CA--C 1.525 0.678 0 C-N-CA 126.414 1.959 . . . . 0.0 108.38 -169.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.3 t -132.67 142.02 43.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 CA-C-N 118.831 1.315 . . . . 0.0 110.109 -173.124 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 63.8 t -65.54 128.37 28.26 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.145 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 171.38 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 81.4 mttt -130.68 16.51 5.32 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.256 0.935 . . . . 0.0 111.941 169.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 179.77 179.74 48.79 Favored Glycine 0 C--N 1.335 0.513 0 O-C-N 121.458 -0.776 . . . . 0.0 111.942 172.11 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 9.0 m80 -141.97 155.65 45.45 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 126.378 1.871 . . . . 0.0 110.948 -173.228 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 56.9 ttt180 -150.62 160.93 43.47 Favored 'General case' 0 CA--C 1.526 0.035 0 C-N-CA 125.673 1.589 . . . . 0.0 107.595 170.372 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 11.3 mmtp -128.61 125.88 39.08 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 105.9 -1.889 . . . . 0.0 105.9 169.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -151.46 139.26 19.84 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 -175.109 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 30.8 m 50.46 29.62 4.08 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.597 1.159 . . . . 0.0 113.712 177.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 67.89 33.75 80.51 Favored Glycine 0 CA--C 1.533 1.158 0 O-C-N 121.45 -0.781 . . . . 0.0 112.346 -178.168 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -138.01 153.04 49.42 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 106.607 -1.627 . . . . 0.0 106.607 176.095 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 37.8 tp -96.89 132.01 43.07 Favored 'General case' 0 N--CA 1.444 -0.771 0 C-N-CA 125.474 1.51 . . . . 0.0 108.365 -174.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -124.27 155.76 38.07 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 125.234 1.414 . . . . 0.0 108.903 -173.462 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1570 ' ' TYR . . . . . 0.447 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 62.3 m-85 -140.13 127.43 21.23 Favored 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 106.119 -1.808 . . . . 0.0 106.119 -173.675 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.1 p -85.2 96.77 9.59 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 104.688 -2.338 . . . . 0.0 104.688 169.593 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 40.9 mm -77.41 133.55 30.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 105.865 -1.902 . . . . 0.0 105.865 176.184 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -96.45 129.34 43.83 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 105.227 -2.138 . . . . 0.0 105.227 168.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 25.4 ttpt -144.7 141.17 29.1 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 105.642 -1.984 . . . . 0.0 105.642 178.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 52.45 25.31 3.46 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 119.466 1.03 . . . . 0.0 113.106 -177.66 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 71.2 22.79 78.53 Favored Glycine 0 CA--C 1.531 1.091 0 O-C-N 121.436 -0.79 . . . . 0.0 113.142 -179.131 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -129.33 147.39 51.16 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 173.069 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 82.3 mtm-85 -98.71 136.16 39.17 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 -178.457 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -140.14 130.43 25.21 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 106.342 -1.725 . . . . 0.0 106.342 -169.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 88.5 m95 -80.49 130.72 35.32 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 178.447 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -132.74 161.57 33.68 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.869 1.268 . . . . 0.0 107.756 169.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -105.57 165.85 10.86 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.918 1.287 . . . . 0.0 109.736 -177.213 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 46.0 ttt180 -49.89 -49.33 50.01 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-N 120.327 1.422 . . . . 0.0 112.896 -173.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 3.1 ppp? -70.29 -14.86 62.78 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 120.414 1.461 . . . . 0.0 114.135 -179.445 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -93.79 -2.86 53.05 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 126.227 1.811 . . . . 0.0 110.825 172.038 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 60.7 t -119.79 91.38 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.621 0 N-CA-C 105.796 -1.928 . . . . 0.0 105.796 177.085 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 8.2 pt -112.84 168.13 5.53 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 -172.064 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 5.1 mt -121.07 124.5 44.94 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 -171.457 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 5.0 m -61.38 148.12 42.61 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 106.507 -1.664 . . . . 0.0 106.507 169.356 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.7 pp -55.79 -37.61 68.81 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.467 -0.771 . . . . 0.0 112.702 -169.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -77.41 -23.52 50.62 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 121.633 -0.667 . . . . 0.0 110.745 -175.443 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -71.65 -49.29 41.25 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 107.159 -1.423 . . . . 0.0 107.159 170.382 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -63.22 -29.25 73.89 Favored Glycine 0 C--N 1.339 0.744 0 C-N-CA 123.789 0.709 . . . . 0.0 112.681 -177.182 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -58.03 -41.44 83.18 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 118.691 1.245 . . . . 0.0 111.39 175.112 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -58.61 -26.15 63.38 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 118.952 0.796 . . . . 0.0 112.022 177.163 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 7.5 mp -91.43 -28.32 17.72 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 124.405 1.082 . . . . 0.0 110.535 178.014 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -56.6 -41.35 76.86 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.954 1.302 . . . . 0.0 110.488 -175.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -59.47 -18.29 38.53 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.939 1.088 . . . . 0.0 113.939 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -115.16 -48.61 2.81 Favored 'General case' 0 C--N 1.345 0.412 0 CA-C-N 120.272 1.396 . . . . 0.0 112.177 176.575 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -92.39 -10.94 36.3 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 124.593 1.157 . . . . 0.0 112.176 -170.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -54.17 131.07 45.05 Favored Glycine 0 CA--C 1.522 0.491 0 C-N-CA 125.444 1.497 . . . . 0.0 110.105 177.135 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1602 ' ' LEU . . . . . 0.574 HD22 HD23 ' A' 1534 ' ' LEU . 0.4 OUTLIER -64.77 -45.49 86.13 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 171.139 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.476 0 N-CA-C 108.068 -2.013 . . . . 0.0 108.068 177.096 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 363' ' ' ARG . . . . . . . . . . . . . 25.7 tpt180 . . . . . 0 N--CA 1.496 1.85 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -69.0 -36.53 77.92 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 121.739 -0.6 . . . . 0.0 112.016 -171.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 365' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -157.79 174.55 15.12 Favored 'General case' 0 C--O 1.238 0.486 0 C-N-CA 125.324 1.449 . . . . 0.0 107.878 -178.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 366' ' ' SER . . . . . . . . . . . . . 14.0 m -60.58 174.86 0.52 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.767 1.227 . . . . 0.0 110.073 168.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 14.0 m -62.87 -19.89 64.59 Favored 'General case' 0 CA--C 1.541 0.596 0 O-C-N 121.085 -1.009 . . . . 0.0 113.49 -174.365 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 368' ' ' HIS . . . . . . . . . . . . . 26.0 t60 42.52 -108.47 0.11 Allowed 'General case' 0 C--N 1.343 0.307 0 C-N-CA 126.007 1.723 . . . . 0.0 109.88 -170.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 369' ' ' LEU . . . . . 0.516 ' HG ' ' H ' ' B' ' 371' ' ' SER . 20.3 tp -155.79 148.15 23.71 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 -170.338 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 370' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.376 0 C-N-CA 124.503 1.121 . . . . 0.0 111.047 170.116 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 371' ' ' SER . . . . . 0.516 ' H ' ' HG ' ' B' ' 369' ' ' LEU . 16.1 m 45.76 34.94 1.99 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 128.817 2.847 . . . . 0.0 113.792 177.613 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 372' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -75.43 161.28 29.36 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 123.797 0.839 . . . . 0.0 109.563 176.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 373' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -58.45 -32.16 68.45 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.538 0.735 . . . . 0.0 111.454 175.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 374' ' ' GLY . . . . . . . . . . . . . . . -59.02 -27.9 62.98 Favored Glycine 0 CA--C 1.535 1.281 0 CA-C-O 119.153 -0.804 . . . . 0.0 113.567 178.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -85.04 11.85 8.81 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 118.538 1.169 . . . . 0.0 111.874 176.509 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 13.9 m 56.41 31.22 18.37 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.266 1.426 . . . . 0.0 112.481 -173.593 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 8.8 m . . . . . 0 C--O 1.257 1.499 0 C-N-CA 124.488 1.115 . . . . 0.0 108.377 170.169 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.714 0 N-CA-C 112.004 -0.439 . . . . 0.0 112.004 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -150.98 -47.61 0.12 Allowed 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.505 0.722 . . . . 0.0 110.668 177.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 16.0 mmt -140.74 169.74 17.08 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 125.715 1.606 . . . . 0.0 109.017 177.008 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 49.8 t30 -143.45 160.78 39.95 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 125.57 1.548 . . . . 0.0 108.547 179.492 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 16.3 m -65.18 88.56 0.08 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.601 1.16 . . . . 0.0 110.591 176.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 93.4 m-85 68.68 -63.06 0.37 Allowed 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 128.101 2.561 . . . . 0.0 113.818 172.491 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 5.2 t -57.36 114.71 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 C-N-CA 125.272 1.429 . . . . 0.0 108.988 -175.542 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 113.86 -18.26 19.51 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 125.315 1.436 . . . . 0.0 112.845 178.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 10.1 mp -77.31 138.79 39.57 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 118.831 1.316 . . . . 0.0 110.792 -173.561 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 57.0 mtm180 -78.65 126.64 31.02 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 105.482 -2.044 . . . . 0.0 105.482 168.501 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 17.1 m -145.55 -176.74 0.64 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.397 0 C-N-CA 125.091 1.356 . . . . 0.0 107.465 -173.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 3.4 t -118.4 144.71 25.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 105.419 -2.067 . . . . 0.0 105.419 169.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -146.5 152.16 38.55 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.178 0.991 . . . . 0.0 109.142 -169.543 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 79.7 tttt -82.21 131.07 35.23 Favored 'General case' 0 CA--C 1.513 -0.453 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 178.379 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 26.5 t-105 -71.15 128.46 36.0 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 169.318 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 1.1 m -54.73 -27.19 38.95 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 116.838 2.162 . . . . 0.0 116.838 -168.514 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 5.6 m -80.43 51.61 1.47 Allowed 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 120.234 1.379 . . . . 0.0 111.294 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 66.5 t30 45.71 45.16 11.09 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.895 2.078 . . . . 0.0 113.212 -173.641 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -95.14 -175.29 37.72 Favored Glycine 0 C--N 1.338 0.691 0 CA-C-O 122.651 1.139 . . . . 0.0 113.31 -174.159 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1500 ' ' TYR . . . . . 0.441 ' CG ' ' HA ' ' A' 1589 ' ' SER . 13.4 m-30 -70.07 169.61 13.09 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 128.033 2.533 . . . . 0.0 110.597 169.686 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 2.8 m-30 -92.84 108.9 20.35 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.447 -1.686 . . . . 0.0 106.447 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -101.65 155.92 17.81 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.892 1.277 . . . . 0.0 107.729 -178.527 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 6.0 m -71.33 148.96 46.56 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 121.55 -0.719 . . . . 0.0 111.334 176.271 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -165.39 -179.45 39.19 Favored Glycine 0 C--N 1.333 0.397 0 N-CA-C 112.164 -0.375 . . . . 0.0 112.164 174.182 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.97 135.89 53.55 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 106.2 -1.778 . . . . 0.0 106.2 175.073 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 17.8 mt -72.87 132.08 33.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 175.034 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 72.6 p -107.46 -36.79 6.39 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 123.106 0.562 . . . . 0.0 110.637 -171.354 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -165.45 141.07 5.19 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 123.894 0.878 . . . . 0.0 111.265 175.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 7.0 t0 -69.36 103.91 2.12 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 125.014 1.326 . . . . 0.0 107.802 168.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.4 t -66.4 -50.28 68.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 -176.619 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 146.32 164.47 10.97 Favored Glycine 0 C--N 1.34 0.798 0 N-CA-C 109.714 -1.354 . . . . 0.0 109.714 178.47 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 59.1 7.15 0.79 Allowed 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 177.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 105.27 -6.86 42.95 Favored Glycine 0 C--N 1.338 0.646 0 C-N-CA 124.412 1.006 . . . . 0.0 111.205 -173.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 42.3 mtmt -75.69 136.69 40.37 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 120.468 2.134 . . . . 0.0 107.41 169.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -127.33 137.26 52.76 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 105.099 -2.186 . . . . 0.0 105.099 169.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -82.93 139.25 33.48 Favored 'General case' 0 CA--C 1.51 -0.565 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 176.604 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 2.9 mm? -125.12 119.85 29.76 Favored 'General case' 0 CA--C 1.51 -0.585 0 C-N-CA 124.961 1.304 . . . . 0.0 108.659 -169.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 32.1 tp -84.38 95.88 8.89 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 103.835 -2.654 . . . . 0.0 103.835 169.292 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -58.9 144.47 44.53 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 171.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -65.86 -19.16 65.78 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -170.302 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -79.33 -0.1 31.15 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.974 1.309 . . . . 0.0 113.649 173.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 108.99 -3.69 31.76 Favored Glycine 0 CA--C 1.531 1.064 0 C-N-CA 125.495 1.521 . . . . 0.0 114.2 169.347 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -85.65 157.74 20.26 Favored 'General case' 0 CA--C 1.528 0.106 0 CA-C-N 118.165 0.982 . . . . 0.0 110.112 -173.267 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -141.37 121.62 13.91 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 -178.274 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 57.4 m -147.86 167.81 23.82 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.501 1.521 . . . . 0.0 107.986 171.381 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -85.87 143.12 28.41 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 175.057 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 91.2 t -141.14 137.83 33.8 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 N-CA-C 107.613 -1.254 . . . . 0.0 107.613 -179.505 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 7.0 mt -77.55 152.65 33.93 Favored 'General case' 0 CA--C 1.512 -0.509 0 C-N-CA 123.31 0.644 . . . . 0.0 111.889 179.601 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -56.72 -37.13 75.18 Favored Glycine 0 CA--C 1.522 0.52 0 C-N-CA 123.918 0.771 . . . . 0.0 113.171 -178.491 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -8.0 18.12 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 175.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -116.22 22.29 13.0 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.658 1.583 . . . . 0.0 111.725 -179.206 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -133.82 139.43 48.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 179.357 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 72.7 mt -120.32 115.36 23.4 Favored 'General case' 0 CA--C 1.52 -0.196 0 N-CA-C 104.756 -2.313 . . . . 0.0 104.756 -177.324 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1534 ' ' LEU . . . . . 0.542 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -109.16 -3.14 17.53 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 116.633 2.086 . . . . 0.0 116.633 -168.891 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 23.9 p -135.63 50.07 2.13 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 106.195 -1.779 . . . . 0.0 106.195 -177.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 48.5 t0 -114.54 57.59 0.92 Allowed Pre-proline 0 CA--C 1.541 0.599 0 N-CA-C 115.81 1.781 . . . . 0.0 115.81 -168.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -68.1 121.57 8.58 Favored 'Trans proline' 0 CA--C 1.543 0.93 1 N-CA-C 100.626 -4.413 . . . . 0.0 100.626 166.347 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 5.0 mm -59.56 122.64 66.1 Favored Pre-proline 0 CA--C 1.54 0.558 0 CA-C-N 118.886 0.766 . . . . 0.0 109.091 -167.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -61.43 144.8 98.4 Favored 'Trans proline' 0 N--CA 1.452 -0.939 0 C-N-CA 121.801 1.667 . . . . 0.0 110.637 177.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1540 ' ' LEU . . . . . 0.478 ' H ' HD12 ' A' 1540 ' ' LEU . 3.9 mp -59.89 148.58 34.39 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 169.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 22.2 t70 74.91 -5.31 2.18 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.878 2.071 . . . . 0.0 113.638 -175.576 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 22.0 m -70.17 134.61 48.28 Favored 'General case' 0 C--O 1.238 0.455 0 O-C-N 120.87 -1.144 . . . . 0.0 108.199 170.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -76.15 138.3 40.63 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 170.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 1.2 m -147.61 160.06 8.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 124.768 1.227 . . . . 0.0 109.898 -175.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 3.1 m -89.34 131.02 35.62 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 105.505 -2.035 . . . . 0.0 105.505 169.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -97.22 140.4 31.76 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 171.351 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.31 98.76 3.68 Favored 'General case' 0 CA--C 1.519 -0.238 0 C-N-CA 123.697 0.799 . . . . 0.0 109.601 -170.198 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 11.1 m -61.47 121.94 13.95 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 105.094 -2.187 . . . . 0.0 105.094 169.361 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -45.77 -33.49 3.1 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 126.139 1.775 . . . . 0.0 114.954 -168.651 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 38.9 t70 -64.09 -47.46 79.98 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 118.268 -0.872 . . . . 0.0 111.316 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 177.68 -24.27 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.429 1.492 . . . . 0.0 114.879 170.011 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -53.71 127.57 26.19 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 119.337 0.972 . . . . 0.0 111.996 -168.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 9.3 t80 -120.94 127.95 52.3 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 124.922 1.289 . . . . 0.0 110.604 -168.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 1.6 p -152.27 177.38 10.62 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.543 1.537 . . . . 0.0 109.058 173.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -136.58 159.23 42.44 Favored 'General case' 0 N--CA 1.468 0.454 0 O-C-N 120.474 -1.391 . . . . 0.0 111.321 173.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -171.51 -159.02 16.74 Favored Glycine 0 CA--C 1.528 0.866 0 C-N-CA 126.075 1.797 . . . . 0.0 108.688 -172.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.2 t -131.59 143.27 40.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-N 118.577 1.189 . . . . 0.0 109.277 -175.39 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 84.6 t -65.44 126.12 23.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 N-CA-C 108.515 -0.921 . . . . 0.0 108.515 173.488 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 82.5 mttt -132.05 21.18 4.5 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 119.368 0.985 . . . . 0.0 112.098 170.285 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 179.2 176.97 47.35 Favored Glycine 0 C--N 1.336 0.576 0 O-C-N 121.519 -0.738 . . . . 0.0 111.432 169.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 9.8 m80 -141.81 154.32 45.12 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 126.669 1.988 . . . . 0.0 110.861 -172.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 54.6 ttt180 -149.97 159.42 44.4 Favored 'General case' 0 N--CA 1.461 0.098 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 170.01 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 11.1 mmtp -127.63 129.47 47.28 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 106.019 -1.845 . . . . 0.0 106.019 169.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -150.9 139.49 20.6 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 -177.137 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 27.2 m 50.2 31.83 5.49 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.461 1.105 . . . . 0.0 113.677 178.13 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 68.27 30.49 73.6 Favored Glycine 0 C--N 1.343 0.928 0 O-C-N 121.815 -0.553 . . . . 0.0 112.292 -178.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -138.84 153.61 48.37 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.953 1.301 . . . . 0.0 107.701 -177.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 33.0 tp -101.48 135.33 43.16 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.474 1.109 . . . . 0.0 109.781 -169.408 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -127.54 157.35 40.39 Favored 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 125.84 1.656 . . . . 0.0 109.139 -174.056 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -141.61 134.1 28.27 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 106.786 -1.561 . . . . 0.0 106.786 -174.008 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.44 97.71 11.02 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 104.565 -2.384 . . . . 0.0 104.565 169.569 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 36.5 mm -77.84 129.35 37.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 106.401 -1.703 . . . . 0.0 106.401 178.306 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -83.58 119.12 24.33 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 103.092 -2.929 . . . . 0.0 103.092 168.004 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 24.3 ttpt -141.68 135.69 30.13 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 105.011 -2.218 . . . . 0.0 105.011 -172.602 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 54.58 27.04 7.95 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 123.203 0.601 . . . . 0.0 111.841 -173.494 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 79.42 14.61 81.22 Favored Glycine 0 CA--C 1.533 1.161 0 CA-C-O 119.128 -0.818 . . . . 0.0 113.444 175.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -142.39 154.45 44.63 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 118.547 1.174 . . . . 0.0 109.594 179.486 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -81.0 141.27 34.58 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 121.341 -0.85 . . . . 0.0 109.207 -175.551 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -142.96 129.45 20.12 Favored 'General case' 0 C--O 1.226 -0.142 0 N-CA-C 106.046 -1.835 . . . . 0.0 106.046 -178.458 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 89.1 m95 -80.59 132.02 35.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 118.936 0.789 . . . . 0.0 109.95 178.1 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -134.57 166.6 22.53 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.332 1.453 . . . . 0.0 107.852 169.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -109.82 165.16 11.92 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.871 1.268 . . . . 0.0 109.875 -177.195 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 65.8 ttp85 -42.85 -55.53 3.65 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.642 1.177 . . . . 0.0 113.625 -178.191 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 2.1 ppp? -71.88 -15.11 62.11 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 120.217 1.371 . . . . 0.0 114.058 -178.17 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -92.08 -2.14 56.81 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 125.873 1.669 . . . . 0.0 110.9 171.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 89.7 t -120.95 90.15 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.757 0 N-CA-C 105.282 -2.118 . . . . 0.0 105.282 176.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 9.2 pt -107.92 163.61 5.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 -172.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 10.8 mt -115.39 118.82 34.3 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 106.789 -1.56 . . . . 0.0 106.789 -174.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1589 ' ' SER . . . . . 0.441 ' HA ' ' CG ' ' A' 1500 ' ' TYR . 3.4 m -55.96 148.52 17.14 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 169.184 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.3 pp -53.2 -38.32 62.75 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 -168.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 24.3 tp10 -70.29 -40.78 74.08 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 118.993 0.815 . . . . 0.0 109.823 179.417 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -58.73 -46.31 87.66 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 176.219 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -66.25 -35.2 90.03 Favored Glycine 0 CA--C 1.525 0.711 0 C-N-CA 123.55 0.595 . . . . 0.0 112.413 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -58.35 -35.53 72.07 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 118.67 1.235 . . . . 0.0 110.431 174.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 -58.76 -17.86 26.79 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 118.715 0.689 . . . . 0.0 112.603 178.081 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 1.7 mp -110.88 -18.07 13.18 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 124.501 1.12 . . . . 0.0 111.635 178.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -56.17 -38.87 71.5 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.086 0.954 . . . . 0.0 110.272 178.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -56.26 -23.31 35.44 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 117.749 -1.12 . . . . 0.0 113.681 178.118 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -115.69 -47.26 2.81 Favored 'General case' 0 C--N 1.349 0.548 0 CA-C-N 120.307 1.412 . . . . 0.0 112.484 177.399 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.0 m-30 -94.02 -7.76 41.8 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 124.348 1.059 . . . . 0.0 112.623 -169.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -54.04 129.97 43.21 Favored Glycine 0 N--CA 1.445 -0.751 0 N-CA-C 109.76 -1.336 . . . . 0.0 109.76 175.508 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1602 ' ' LEU . . . . . 0.542 HD22 HD23 ' A' 1534 ' ' LEU . 0.4 OUTLIER -63.97 -41.99 97.37 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 170.787 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.204 0 N-CA-C 108.655 -1.778 . . . . 0.0 108.655 178.565 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 363' ' ' ARG . . . . . . . . . . . . . 34.9 ttt-85 . . . . . 0 N--CA 1.495 1.792 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -66.27 151.21 47.53 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 169.273 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 365' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -72.08 -21.87 61.44 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 366' ' ' SER . . . . . . . . . . . . . 16.9 m 166.53 173.65 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.659 1 C-N-CA 132.132 4.173 . . . . 0.0 105.046 -171.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 15.0 m -61.52 -28.17 69.13 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 118.703 0.683 . . . . 0.0 112.471 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 368' ' ' HIS . . . . . . . . . . . . . 8.5 t60 42.22 -123.07 0.63 Allowed 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 125.611 1.564 . . . . 0.0 110.353 -173.601 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 4.4 tp -149.11 142.27 24.98 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 106.459 -1.682 . . . . 0.0 106.459 -174.571 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 370' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.355 0 N-CA-C 103.99 -2.596 . . . . 0.0 103.99 168.683 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 371' ' ' SER . . . . . . . . . . . . . 1.7 p -96.11 11.87 32.73 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.186 1.394 . . . . 0.0 112.016 -169.127 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 372' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -61.73 156.43 20.28 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 124.934 1.294 . . . . 0.0 112.245 -178.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 373' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -55.37 129.31 38.08 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 170.006 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 374' ' ' GLY . . . . . . . . . . . . . . . 113.06 -47.73 1.01 Allowed Glycine 0 CA--C 1.527 0.786 0 N-CA-C 109.378 -1.489 . . . . 0.0 109.378 -175.576 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 25.3 mm100 -76.23 -29.69 57.66 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 117.425 0.613 . . . . 0.0 109.71 169.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 31.9 m -134.12 165.8 24.24 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 126.167 1.787 . . . . 0.0 108.897 172.24 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 5.9 m . . . . . 0 C--O 1.252 1.21 0 C-N-CA 124.115 0.966 . . . . 0.0 109.13 174.41 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.763 0 CA-C-O 121.463 0.479 . . . . 0.0 112.303 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -150.0 149.99 31.16 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 124.944 1.298 . . . . 0.0 108.946 179.063 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 71.9 mtm -144.28 161.8 38.01 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.344 1.458 . . . . 0.0 108.449 175.34 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 42.9 t30 -147.19 160.46 42.43 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 125.041 1.336 . . . . 0.0 109.049 -174.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 20.0 m -62.1 92.51 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.316 1.446 . . . . 0.0 110.495 176.467 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 96.6 m-85 66.37 -61.88 0.29 Allowed 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 128.353 2.661 . . . . 0.0 113.99 174.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 21.4 t -58.21 112.28 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 C-N-CA 125.164 1.386 . . . . 0.0 109.307 -175.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 119.53 -24.32 8.11 Favored Glycine 0 CA--C 1.53 0.969 0 C-N-CA 125.1 1.333 . . . . 0.0 112.81 -179.366 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 10.2 mp -74.62 138.94 43.28 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 118.641 1.221 . . . . 0.0 110.751 -173.283 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -79.78 126.83 31.47 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 105.318 -2.104 . . . . 0.0 105.318 168.499 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 17.7 m -143.83 -171.46 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 C-N-CA 125.906 1.683 . . . . 0.0 107.905 -174.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1492 ' ' VAL . . . . . 0.408 HG12 ' HB3' ' A' 1501 ' ' PHE . 4.1 t -123.88 146.12 29.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 105.464 -2.05 . . . . 0.0 105.464 169.517 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -145.14 151.62 38.76 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 124.664 1.185 . . . . 0.0 108.7 -170.149 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 70.7 tttt -83.26 129.0 34.97 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -178.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1495 ' ' TRP . . . . . 0.534 ' CE3' HH12 ' B' ' 370' ' ' MLY . 19.6 t-105 -80.81 144.03 32.38 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 168.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 1.6 m -65.29 -177.2 0.37 Allowed 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.773 1.629 . . . . 0.0 113.392 -172.607 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 15.8 m 54.59 43.37 30.33 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.006 0.922 . . . . 0.0 111.008 -175.375 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 66.4 t30 49.99 48.66 21.6 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 126.601 1.96 . . . . 0.0 113.468 -177.238 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -83.13 179.01 52.93 Favored Glycine 0 CA--C 1.527 0.803 0 CA-C-O 122.103 0.835 . . . . 0.0 112.785 177.012 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 12.8 m-30 -76.6 169.66 17.86 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 125.943 1.697 . . . . 0.0 111.068 174.608 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1501 ' ' PHE . . . . . 0.408 ' HB3' HG12 ' A' 1492 ' ' VAL . 97.1 m-85 -85.69 111.16 19.84 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 174.327 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -101.2 149.04 24.4 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.93 1.292 . . . . 0.0 109.037 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 3.8 m -71.95 147.74 46.68 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.289 0.636 . . . . 0.0 109.998 178.505 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -174.2 -175.68 42.0 Favored Glycine 0 C--N 1.333 0.38 0 O-C-N 121.722 -0.612 . . . . 0.0 111.965 -175.241 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -128.7 129.93 46.46 Favored 'General case' 0 CA--C 1.511 -0.533 0 C-N-CA 126.082 1.753 . . . . 0.0 106.825 -172.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 11.9 mt -71.47 133.24 32.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 177.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 42.6 p -109.44 -30.28 8.02 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 123.433 0.693 . . . . 0.0 109.648 -173.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 18.3 ttt-85 -167.48 154.16 8.19 Favored 'General case' 0 CA--C 1.517 -0.311 0 C-N-CA 123.199 0.6 . . . . 0.0 112.016 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 9.9 t70 -84.11 109.71 17.91 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 102.094 -3.299 . . . . 0.0 102.094 166.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.8 t -69.12 -50.17 55.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 -178.467 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 155.63 160.45 9.97 Favored Glycine 0 C--N 1.339 0.748 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 175.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.46 11.24 0.8 Allowed 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 115.788 1.773 . . . . 0.0 115.788 173.584 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 110.12 -7.83 31.03 Favored Glycine 0 C--N 1.337 0.585 0 C-N-CA 124.68 1.133 . . . . 0.0 111.105 -177.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.57 140.73 44.61 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 119.974 1.887 . . . . 0.0 107.164 169.582 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -129.22 136.53 50.24 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 105.503 -2.036 . . . . 0.0 105.503 169.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 29.7 ttpt -83.77 137.17 33.86 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 175.436 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 2.8 mm? -124.35 118.53 26.94 Favored 'General case' 0 CA--C 1.512 -0.501 0 C-N-CA 124.812 1.245 . . . . 0.0 108.394 -169.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 36.4 tp -83.91 93.89 8.13 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 104.267 -2.494 . . . . 0.0 104.267 169.09 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -55.83 148.62 16.39 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 172.174 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -65.53 -17.98 64.97 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -169.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 32.2 p-10 -84.71 -0.08 52.33 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.597 1.559 . . . . 0.0 113.2 173.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 105.88 -2.48 38.6 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 125.12 1.343 . . . . 0.0 114.227 169.623 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -81.45 154.71 26.22 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.323 1.062 . . . . 0.0 109.64 -176.314 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -140.98 118.19 11.32 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 -175.338 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 60.0 m -144.41 161.45 38.98 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.09 1.356 . . . . 0.0 108.036 176.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -79.7 144.36 33.76 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 171.103 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 81.6 t -142.24 139.96 29.51 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.242 0 C-N-CA 124.684 1.194 . . . . 0.0 107.875 177.443 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 5.2 mt -77.66 149.78 34.65 Favored 'General case' 0 CA--C 1.513 -0.459 0 O-C-N 121.535 -0.728 . . . . 0.0 112.437 178.175 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -55.11 -37.09 62.68 Favored Glycine 0 C--N 1.332 0.321 0 C-N-CA 124.123 0.868 . . . . 0.0 113.826 -177.404 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.47 -22.29 64.94 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 118.874 1.337 . . . . 0.0 112.846 176.668 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -99.65 18.77 17.23 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.459 1.504 . . . . 0.0 111.964 -175.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 1.2 mt -128.51 136.74 59.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 N-CA-C 107.405 -1.332 . . . . 0.0 107.405 -178.555 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 65.4 mt -119.43 112.02 18.88 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 104.36 -2.459 . . . . 0.0 104.36 -173.13 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1534 ' ' LEU . . . . . 0.54 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -109.74 -3.3 16.84 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 116.799 2.148 . . . . 0.0 116.799 -169.086 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 24.7 p -128.84 56.21 1.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 104.828 -2.286 . . . . 0.0 104.828 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -98.22 16.71 0.05 OUTLIER Pre-proline 0 CA--C 1.544 0.721 0 N-CA-C 121.301 3.815 . . . . 0.0 121.301 -167.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -56.48 115.62 2.61 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 CA-C-N 125.256 2.913 . . . . 0.0 105.857 168.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 15.7 mm -60.85 123.31 74.38 Favored Pre-proline 0 CA--C 1.534 0.365 0 CA-C-O 118.491 -0.766 . . . . 0.0 109.679 -167.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -64.4 141.69 75.6 Favored 'Trans proline' 0 N--CA 1.454 -0.801 0 C-N-CA 121.764 1.643 . . . . 0.0 109.962 174.491 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1540 ' ' LEU . . . . . 0.424 ' H ' HD12 ' A' 1540 ' ' LEU . 4.8 mp -58.6 149.03 26.8 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 177.063 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 4.7 t70 77.0 -5.77 2.13 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 126.896 2.079 . . . . 0.0 113.435 -176.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 28.7 m -67.32 139.67 57.25 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 169.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -87.47 139.08 30.91 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 106.696 -1.594 . . . . 0.0 106.696 174.17 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 1.6 m -147.48 161.52 7.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 C-N-CA 124.499 1.12 . . . . 0.0 108.518 -170.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 8.5 m -89.59 140.48 29.51 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 105.987 -1.857 . . . . 0.0 105.987 169.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -113.37 141.17 47.37 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 106.738 -1.578 . . . . 0.0 106.738 174.354 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1547 ' ' LEU . . . . . 0.768 HD11 HD22 ' B' ' 369' ' ' LEU . 3.7 mt -138.7 108.04 6.13 Favored 'General case' 0 CA--C 1.513 -0.443 0 C-N-CA 124.283 1.033 . . . . 0.0 108.524 -174.48 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 2.4 m -65.97 156.48 33.49 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 106.281 -1.748 . . . . 0.0 106.281 168.299 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -67.09 14.13 0.05 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.896 1.678 . . . . 0.0 114.755 -169.423 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 22.8 t0 -143.12 54.06 1.36 Allowed 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.583 1.553 . . . . 0.0 109.724 178.206 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1551 ' ' GLU . . . . . . . . . . . . 0.276 7.5 pt-20 54.94 22.4 4.3 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 117.126 2.269 . . . . 0.0 117.126 174.01 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -76.64 77.63 3.3 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 169.404 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 8.6 t80 -66.03 131.07 45.34 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 125.387 1.475 . . . . 0.0 110.146 170.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 4.6 p -152.39 177.37 10.67 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.005 1.722 . . . . 0.0 108.551 169.391 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -139.8 155.7 47.13 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 120.434 1.47 . . . . 0.0 111.152 172.305 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.43 -162.24 22.41 Favored Glycine 0 CA--C 1.53 0.998 0 C-N-CA 126.22 1.867 . . . . 0.0 108.784 -172.483 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.3 t -129.69 143.54 40.79 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.364 0 CA-C-N 118.599 1.2 . . . . 0.0 109.207 -173.067 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 99.1 t -66.33 126.02 24.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 172.707 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -127.57 13.46 7.0 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 118.902 0.774 . . . . 0.0 111.122 170.337 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 178.91 -179.91 48.77 Favored Glycine 0 C--N 1.337 0.603 0 CA-C-N 118.762 0.71 . . . . 0.0 112.353 173.403 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 13.2 m80 -141.44 154.37 45.54 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 126.652 1.981 . . . . 0.0 110.621 -172.316 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 -150.41 162.09 41.23 Favored 'General case' 0 N--CA 1.461 0.081 0 C-N-CA 125.538 1.535 . . . . 0.0 107.521 169.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -130.2 125.1 34.11 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 106.465 -1.679 . . . . 0.0 106.465 169.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -150.99 140.51 21.56 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 -174.172 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 38.2 m 50.48 29.79 4.22 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 176.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 66.98 34.5 87.22 Favored Glycine 0 CA--C 1.532 1.155 0 CA-C-O 119.538 -0.59 . . . . 0.0 112.245 -178.034 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -139.59 149.15 43.48 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 105.84 -1.911 . . . . 0.0 105.84 176.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 52.1 tp -92.98 134.96 34.6 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 125.023 1.329 . . . . 0.0 107.523 -176.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -124.9 156.55 37.75 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 124.909 1.284 . . . . 0.0 108.784 -174.07 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -138.09 129.6 27.9 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 106.419 -1.697 . . . . 0.0 106.419 -176.679 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.2 p -85.49 96.66 9.68 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 104.82 -2.289 . . . . 0.0 104.82 169.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 40.8 mm -79.21 127.59 38.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 N-CA-C 106.315 -1.735 . . . . 0.0 106.315 178.684 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -84.26 120.91 26.79 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 103.64 -2.726 . . . . 0.0 103.64 168.341 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 24.1 ttpt -143.51 133.28 23.85 Favored 'General case' 0 CA--C 1.509 -0.601 0 N-CA-C 104.396 -2.446 . . . . 0.0 104.396 -170.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 56.73 24.29 8.86 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 118.511 0.596 . . . . 0.0 112.101 -175.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 77.95 17.94 77.68 Favored Glycine 0 C--N 1.345 1.074 0 O-C-N 121.397 -0.814 . . . . 0.0 113.003 176.7 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -141.62 161.24 38.42 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 125.113 1.365 . . . . 0.0 108.222 177.598 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -105.02 138.92 40.47 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 119.717 1.144 . . . . 0.0 110.069 -169.679 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -142.55 132.98 24.98 Favored 'General case' 0 CA--C 1.523 -0.093 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 -169.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 90.0 m95 -81.04 130.49 35.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 118.593 0.633 . . . . 0.0 109.811 177.416 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -132.19 159.6 38.52 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 169.534 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -100.78 164.61 11.77 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.575 1.15 . . . . 0.0 110.312 -176.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -50.22 -45.13 53.59 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.703 1.138 . . . . 0.0 113.095 -177.423 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -71.08 -23.45 62.12 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 121.215 1.825 . . . . 0.0 112.938 178.26 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -81.65 -15.39 54.73 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 118.569 -0.729 . . . . 0.0 111.027 175.165 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 84.6 t -111.68 91.95 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 N-CA-C 105.891 -1.892 . . . . 0.0 105.891 -174.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 9.8 pt -107.64 164.89 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 -175.019 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 3.9 mt -107.69 116.01 31.17 Favored 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 106.399 -1.704 . . . . 0.0 106.399 -178.184 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.62 148.89 8.87 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 107.246 -1.39 . . . . 0.0 107.246 169.462 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.6 pp -55.43 -35.8 65.81 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 119.424 1.011 . . . . 0.0 113.111 -168.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 30.8 tp10 -66.23 -39.67 89.74 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 121.654 -0.654 . . . . 0.0 110.515 178.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -66.37 -52.05 50.89 Favored 'General case' 0 C--O 1.226 -0.157 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 178.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -61.99 -28.63 70.74 Favored Glycine 0 C--N 1.339 0.735 0 CA-C-O 119.145 -0.808 . . . . 0.0 111.728 -175.456 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -60.45 -45.36 93.98 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 118.796 1.298 . . . . 0.0 111.486 174.247 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 22.4 mtt-85 -62.57 -17.83 60.85 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 122.916 0.486 . . . . 0.0 112.159 177.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 10.1 mp -93.68 -29.7 15.29 Favored 'General case' 0 C--O 1.224 -0.283 0 C-N-CA 123.787 0.835 . . . . 0.0 110.975 172.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 64.9 ttp85 -57.72 -38.19 74.86 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 119.935 1.243 . . . . 0.0 111.733 -174.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -57.64 -22.87 48.2 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 118.245 -0.884 . . . . 0.0 112.908 178.245 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -114.89 -45.68 2.96 Favored 'General case' 0 C--N 1.346 0.444 0 CA-C-N 119.538 1.063 . . . . 0.0 112.634 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 7.3 m-30 -92.71 -8.92 42.54 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 124.239 1.016 . . . . 0.0 112.328 -169.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -56.31 130.27 49.36 Favored Glycine 0 CA--C 1.526 0.745 0 C-N-CA 125.233 1.397 . . . . 0.0 110.805 179.021 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1602 ' ' LEU . . . . . 0.54 HD22 HD23 ' A' 1534 ' ' LEU . 0.7 OUTLIER -65.79 -48.55 71.39 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 118.367 1.083 . . . . 0.0 108.851 174.083 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.312 0 CA-C-O 117.603 -1.665 . . . . 0.0 111.074 -169.547 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 363' ' ' ARG . . . . . . . . . . . . . 25.0 tpt180 . . . . . 0 N--CA 1.499 1.991 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -60.57 -28.08 68.2 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.774 1.23 . . . . 0.0 113.194 -176.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 365' ' ' HIS . . . . . . . . . . . . . 27.0 t60 -141.29 160.54 39.9 Favored 'General case' 0 C--N 1.341 0.22 0 C-N-CA 124.879 1.271 . . . . 0.0 107.998 172.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 366' ' ' SER . . . . . 0.408 ' C ' ' H ' ' B' ' 368' ' ' HIS . 3.5 m -73.4 38.21 0.09 Allowed 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 127.773 2.429 . . . . 0.0 114.187 -170.199 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 8.8 m 68.2 -24.55 0.13 Allowed 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 127.285 2.234 . . . . 0.0 114.218 -173.628 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 368' ' ' HIS . . . . . 0.45 ' CD2' HD13 ' A' 1547 ' ' LEU . 8.4 t60 53.75 -72.5 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 129.577 3.151 . . . . 0.0 112.673 -169.451 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 369' ' ' LEU . . . . . 0.768 HD22 HD11 ' A' 1547 ' ' LEU . 29.4 tp -165.61 -61.58 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 119.866 1.212 . . . . 0.0 112.415 -170.007 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 370' ' ' MLY . . . . . 0.534 HH12 ' CE3' ' A' 1495 ' ' TRP . . . . . . . . 0 N--CA 1.482 1.17 0 C-N-CA 125.256 1.422 . . . . 0.0 112.122 -171.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 371' ' ' SER . . . . . 0.52 ' H ' ' HG ' ' B' ' 369' ' ' LEU 0.302 0.3 OUTLIER 45.72 29.29 0.66 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 130.819 3.648 . . . . 0.0 113.792 -177.363 . . . . . . . . 4 4 . 1 . 017 nuclear build full ' B' B ' 372' ' ' LYS . . . . . . . . . . . . . 11.6 tppt? -150.17 -38.54 0.14 Allowed 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 114.133 1.16 . . . . 0.0 114.133 -179.029 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 373' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -65.52 124.8 23.27 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 120.619 1.554 . . . . 0.0 107.048 174.216 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 374' ' ' GLY . . . . . . . . . . . . . . . 68.92 15.61 69.45 Favored Glycine 0 CA--C 1.536 1.376 0 CA-C-O 119.263 -0.743 . . . . 0.0 113.062 -174.671 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -145.73 46.63 1.27 Allowed 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.501 1.92 . . . . 0.0 107.196 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 5.8 m -54.05 -36.63 63.29 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.096 1.358 . . . . 0.0 112.777 -169.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 18.1 m . . . . . 0 C--O 1.253 1.246 0 N-CA-C 106.455 -1.683 . . . . 0.0 106.455 -179.394 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.88 0 CA-C-O 121.242 0.356 . . . . 0.0 112.269 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -150.5 172.42 15.49 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 125.362 1.465 . . . . 0.0 108.897 178.411 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 14.4 mmt -139.21 167.13 22.75 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.607 1.563 . . . . 0.0 110.109 -177.494 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 58.8 t30 -150.12 166.27 30.31 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 126.794 2.038 . . . . 0.0 107.052 -179.624 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 39.7 m -52.3 -53.11 48.38 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 123.574 0.749 . . . . 0.0 112.384 -172.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -152.13 -54.08 0.13 Allowed 'General case' 0 C--O 1.224 -0.258 0 C-N-CA 123.358 0.663 . . . . 0.0 110.143 -176.411 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 17.7 t -59.81 115.93 1.43 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 C-N-CA 124.264 1.026 . . . . 0.0 108.654 -174.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 116.84 -24.61 9.41 Favored Glycine 0 CA--C 1.531 1.044 0 C-N-CA 124.832 1.206 . . . . 0.0 112.119 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 9.7 mp -73.35 138.56 45.43 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 118.829 1.315 . . . . 0.0 110.998 -174.158 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 75.2 mtt85 -80.52 126.32 31.08 Favored 'General case' 0 N--CA 1.462 0.157 0 N-CA-C 105.307 -2.109 . . . . 0.0 105.307 168.629 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 18.6 m -144.63 -172.19 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 C-N-CA 125.535 1.534 . . . . 0.0 107.739 -172.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.8 t -121.55 147.75 25.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 105.965 -1.865 . . . . 0.0 105.965 170.026 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -145.59 150.1 35.75 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 124.512 1.125 . . . . 0.0 108.557 -172.009 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 74.7 tttt -81.99 134.15 35.35 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 107.605 -1.258 . . . . 0.0 107.605 177.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1495 ' ' TRP . . . . . 0.415 ' CE3' HH12 ' B' ' 370' ' ' MLY . 18.8 t-105 -87.31 145.8 26.2 Favored 'General case' 0 N--CA 1.441 -0.907 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 169.148 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 2.3 m -65.62 -174.53 0.21 Allowed 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.013 1.725 . . . . 0.0 113.316 -172.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 41.5 m 53.64 42.87 31.77 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 120.682 -1.261 . . . . 0.0 111.374 -172.422 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 66.5 t30 49.0 47.5 21.72 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.329 1.852 . . . . 0.0 113.271 -175.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -83.81 179.32 52.21 Favored Glycine 0 CA--C 1.525 0.657 0 CA-C-O 122.445 1.025 . . . . 0.0 113.777 -177.593 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1500 ' ' TYR . . . . . 0.419 ' CG ' ' HA ' ' A' 1589 ' ' SER . 7.7 m-30 -75.14 169.3 18.29 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 127.065 2.146 . . . . 0.0 110.435 175.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -96.95 108.65 21.41 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 106.198 -1.779 . . . . 0.0 106.198 -178.312 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -105.43 151.43 24.25 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 125.034 1.334 . . . . 0.0 108.963 -174.566 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 4.2 m -67.42 145.54 54.92 Favored 'General case' 0 CA--C 1.534 0.365 0 O-C-N 121.788 -0.57 . . . . 0.0 110.501 176.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -167.02 179.04 40.99 Favored Glycine 0 C--O 1.226 -0.358 0 N-CA-C 111.824 -0.511 . . . . 0.0 111.824 177.631 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -123.08 129.8 51.94 Favored 'General case' 0 CA--C 1.512 -0.508 0 N-CA-C 106.234 -1.765 . . . . 0.0 106.234 -176.032 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 13.8 mt -71.08 133.03 32.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 179.425 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 35.7 p -109.21 -28.7 8.88 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 123.512 0.725 . . . . 0.0 109.656 -174.297 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 20.9 ttt-85 -167.79 154.8 8.18 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.124 178.458 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 4.0 t70 -85.6 106.04 16.62 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 102.076 -3.305 . . . . 0.0 102.076 167.015 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.6 t -67.19 -49.11 75.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 -178.384 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 144.63 169.12 13.05 Favored Glycine 0 C--N 1.335 0.528 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 175.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 57.4 8.94 0.66 Allowed 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 178.249 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 106.25 -8.38 41.37 Favored Glycine 0 CA--C 1.524 0.598 0 C-N-CA 125.59 1.566 . . . . 0.0 111.231 -176.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 30.3 mtpt -75.23 138.42 41.9 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 119.593 1.696 . . . . 0.0 108.23 172.387 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -127.39 137.6 52.79 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 105.626 -1.99 . . . . 0.0 105.626 169.69 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -85.09 137.79 32.82 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 176.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.2 mm? -125.33 119.05 27.29 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 125.007 1.323 . . . . 0.0 108.75 -169.529 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 40.1 tp -84.04 93.21 8.04 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 104.916 -2.253 . . . . 0.0 104.916 168.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -56.23 148.59 18.01 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 173.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -66.21 -18.86 65.61 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -169.69 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 26.7 p-10 -84.0 3.65 33.39 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.55 1.14 . . . . 0.0 113.112 172.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 103.09 -1.62 47.53 Favored Glycine 0 CA--C 1.531 1.051 0 C-N-CA 125.158 1.361 . . . . 0.0 114.54 169.111 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -80.73 157.36 25.87 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 118.283 1.041 . . . . 0.0 109.669 -177.096 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -140.92 120.56 13.32 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -177.484 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 89.4 m -147.18 167.22 24.73 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.935 1.694 . . . . 0.0 107.877 172.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -91.07 144.06 26.04 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 124.242 1.017 . . . . 0.0 109.464 175.599 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 90.1 t -143.37 139.71 26.47 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.23 0 N-CA-C 107.332 -1.358 . . . . 0.0 107.332 -176.491 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 7.2 mt -78.38 152.26 32.36 Favored 'General case' 0 CA--C 1.513 -0.475 0 O-C-N 121.823 -0.548 . . . . 0.0 112.3 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -52.17 -40.38 51.92 Favored Glycine 0 CA--C 1.523 0.549 0 C-N-CA 124.986 1.279 . . . . 0.0 113.613 -179.327 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1530 ' ' LYS . . . . . . . . . . . . 0.254 0.0 OUTLIER -64.59 -14.11 56.29 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 118.851 1.325 . . . . 0.0 113.129 178.715 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -110.17 20.28 18.04 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.948 1.699 . . . . 0.0 111.561 -176.591 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -131.03 132.12 63.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 N-CA-C 106.128 -1.804 . . . . 0.0 106.128 178.694 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 8.1 mp -117.49 118.03 31.06 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 103.979 -2.6 . . . . 0.0 103.979 -174.036 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1534 ' ' LEU . . . . . 0.53 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -112.59 -2.38 14.6 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 117.194 2.294 . . . . 0.0 117.194 -168.693 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 25.2 p -130.1 52.69 1.99 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 105.086 -2.19 . . . . 0.0 105.086 -179.189 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -99.42 16.56 0.05 OUTLIER Pre-proline 0 CA--C 1.544 0.724 0 N-CA-C 121.709 3.966 . . . . 0.0 121.709 -167.604 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -54.91 118.97 5.74 Favored 'Trans proline' 0 CA--C 1.542 0.88 0 CA-C-N 125.264 2.916 . . . . 0.0 106.067 169.249 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 7.4 mm -60.55 123.99 76.59 Favored Pre-proline 0 CA--C 1.536 0.44 0 CA-C-O 118.395 -0.812 . . . . 0.0 109.771 -167.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -63.84 139.98 71.19 Favored 'Trans proline' 0 N--CA 1.452 -0.959 0 C-N-CA 121.976 1.784 . . . . 0.0 110.355 172.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 4.0 mp -55.41 148.62 14.82 Favored 'General case' 0 CA--C 1.532 0.281 0 O-C-N 121.786 -0.571 . . . . 0.0 109.771 172.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 6.4 t70 75.22 -4.73 2.31 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 127.229 2.212 . . . . 0.0 113.259 -177.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 28.5 m -69.0 138.35 54.45 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 108.428 -0.952 . . . . 0.0 108.428 170.043 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -79.01 137.08 37.41 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 171.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 1.9 m -145.15 164.58 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 C-N-CA 124.434 1.094 . . . . 0.0 109.39 -176.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 15.5 m -90.18 139.87 30.22 Favored 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 105.654 -1.98 . . . . 0.0 105.654 169.105 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -116.23 138.7 51.07 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 107.132 -1.433 . . . . 0.0 107.132 175.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1547 ' ' LEU . . . . . 0.43 HD11 HD22 ' B' ' 369' ' ' LEU . 0.2 OUTLIER -139.05 110.96 7.22 Favored 'General case' 0 CA--C 1.514 -0.438 0 C-N-CA 123.293 0.637 . . . . 0.0 111.701 -169.75 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 7.8 m -66.3 125.36 25.36 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 102.625 -3.102 . . . . 0.0 102.625 167.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -52.19 -22.67 4.55 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 115.992 1.849 . . . . 0.0 115.992 -168.38 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 37.0 t70 -66.65 -47.19 73.31 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 118.981 0.81 . . . . 0.0 111.423 177.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 175.54 -22.42 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.771 1.628 . . . . 0.0 114.158 173.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -56.8 123.38 14.82 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 119.521 1.055 . . . . 0.0 109.697 -169.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 2.1 t80 -125.09 128.55 48.63 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 125.123 1.369 . . . . 0.0 110.883 -168.216 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 2.4 p -151.87 178.1 9.75 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.453 1.501 . . . . 0.0 109.232 171.497 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -131.81 158.24 41.8 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 120.795 -1.19 . . . . 0.0 110.905 174.329 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.68 -159.8 17.56 Favored Glycine 0 CA--C 1.528 0.905 0 C-N-CA 126.19 1.852 . . . . 0.0 108.898 -170.232 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.4 t -132.46 143.09 40.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 CA-C-N 118.648 1.224 . . . . 0.0 110.193 -174.259 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 57.4 t -66.3 128.78 29.92 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 172.024 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -132.57 13.42 4.49 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.499 1.12 . . . . 0.0 111.489 171.595 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -177.07 173.2 46.1 Favored Glycine 0 C--N 1.338 0.686 0 CA-C-N 119.012 0.824 . . . . 0.0 112.487 173.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 9.2 m80 -136.35 154.33 50.87 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 125.902 1.681 . . . . 0.0 109.954 -177.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 49.2 ttt180 -149.72 159.34 44.42 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 171.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -129.77 126.25 37.73 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 106.256 -1.757 . . . . 0.0 106.256 170.523 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -150.8 139.46 20.67 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 -174.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 41.1 m 49.25 30.75 3.27 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 114.35 1.241 . . . . 0.0 114.35 177.472 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 66.53 35.62 90.27 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 121.597 -0.69 . . . . 0.0 112.089 -178.209 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -138.81 147.34 42.41 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 106.332 -1.729 . . . . 0.0 106.332 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 48.8 tp -95.19 130.4 41.94 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 124.455 1.102 . . . . 0.0 108.453 -175.396 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -121.3 156.25 32.94 Favored 'General case' 0 CA--C 1.513 -0.467 0 C-N-CA 124.63 1.172 . . . . 0.0 109.332 -175.542 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -137.34 132.21 33.27 Favored 'General case' 0 N--CA 1.442 -0.833 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 -175.66 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 46.8 t -83.89 104.1 13.7 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 102.209 -3.256 . . . . 0.0 102.209 168.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 28.2 mm -85.29 122.44 38.29 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 N-CA-C 105.352 -2.092 . . . . 0.0 105.352 171.35 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -83.19 120.44 25.8 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 102.579 -3.119 . . . . 0.0 102.579 168.371 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 22.7 ttpp -141.89 135.13 29.18 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 105.106 -2.183 . . . . 0.0 105.106 -173.108 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 55.72 27.62 10.97 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.527 0.731 . . . . 0.0 111.351 -176.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 81.05 14.52 79.14 Favored Glycine 0 CA--C 1.53 1.005 0 CA-C-O 118.943 -0.92 . . . . 0.0 113.355 175.244 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -142.56 154.59 44.59 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 118.661 1.23 . . . . 0.0 110.695 -179.127 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 88.4 mtm-85 -80.89 138.23 36.16 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.136 0.975 . . . . 0.0 109.37 -175.235 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -144.48 127.96 16.97 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 107.026 -1.472 . . . . 0.0 107.026 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 92.2 m95 -81.06 126.95 32.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 118.518 0.599 . . . . 0.0 110.338 177.595 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -128.7 166.67 18.5 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 107.122 -1.436 . . . . 0.0 107.122 169.181 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 55.8 pttt -115.98 166.39 12.04 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.79 1.236 . . . . 0.0 110.075 -176.583 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -48.31 -52.03 23.34 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 117.423 -1.275 . . . . 0.0 114.249 -169.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -69.79 -19.47 63.5 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 121.503 1.956 . . . . 0.0 113.394 179.338 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -87.26 -4.92 59.1 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 125.085 1.354 . . . . 0.0 111.167 172.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 91.2 t -119.63 90.63 1.62 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.643 0 N-CA-C 105.667 -1.975 . . . . 0.0 105.667 177.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 11.8 pt -108.21 174.78 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 -175.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 4.4 mt -122.03 134.69 54.79 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 106.826 -1.546 . . . . 0.0 106.826 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1589 ' ' SER . . . . . 0.419 ' HA ' ' CG ' ' A' 1500 ' ' TYR . 12.6 p -63.6 167.33 5.81 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 106.3 -1.741 . . . . 0.0 106.3 168.798 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.1 pp -57.87 -37.59 74.2 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 121.11 -0.994 . . . . 0.0 111.826 173.281 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -72.28 -42.0 66.05 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 121.283 -0.885 . . . . 0.0 108.741 -174.682 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -67.09 -49.95 63.28 Favored 'General case' 0 C--O 1.227 -0.123 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 179.304 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -63.24 -29.89 75.85 Favored Glycine 0 C--N 1.338 0.677 0 CA-C-O 118.737 -1.035 . . . . 0.0 111.552 -176.596 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -53.68 -38.79 64.54 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 119.327 1.563 . . . . 0.0 112.512 174.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -61.25 -17.37 53.04 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 118.64 0.655 . . . . 0.0 112.546 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1596 ' ' LEU . . . . . 0.527 ' N ' HD23 ' A' 1596 ' ' LEU . 0.0 OUTLIER -115.11 -15.96 11.65 Favored 'General case' 0 C--N 1.342 0.244 0 C-N-CA 124.556 1.142 . . . . 0.0 110.919 176.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 8.4 tmm_? -62.25 -38.48 89.42 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 120.4 1.455 . . . . 0.0 110.082 179.086 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -59.06 -22.03 60.09 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.788 0.835 . . . . 0.0 112.989 179.201 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -113.97 -44.01 3.2 Favored 'General case' 0 C--N 1.346 0.427 0 CA-C-N 119.162 0.892 . . . . 0.0 111.668 -176.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 8.9 m-30 -94.28 -16.14 23.85 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.07 0.948 . . . . 0.0 111.969 -170.027 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -42.2 129.42 4.6 Favored Glycine 0 CA--C 1.53 0.973 0 C-N-CA 126.406 1.955 . . . . 0.0 111.907 170.04 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1602 ' ' LEU . . . . . 0.53 HD22 HD23 ' A' 1534 ' ' LEU . 0.9 OUTLIER -65.75 -44.46 85.84 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 118.185 0.992 . . . . 0.0 109.238 174.201 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.193 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 -175.354 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 363' ' ' ARG . . . . . . . . . . . . . 9.3 tmm_? . . . . . 0 N--CA 1.493 1.702 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -68.78 150.52 47.76 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.242 0.617 . . . . 0.0 110.247 174.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 365' ' ' HIS . . . . . 0.438 ' CG ' ' H ' ' B' ' 366' ' ' SER . 78.2 t60 54.98 -179.23 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.462 1.905 . . . . 0.0 114.007 174.481 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 366' ' ' SER . . . . . 0.438 ' H ' ' CG ' ' B' ' 365' ' ' HIS . 16.5 m -70.54 175.93 4.47 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.236 1.414 . . . . 0.0 109.5 169.286 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 8.2 m -60.96 -26.4 67.52 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 -175.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 368' ' ' HIS . . . . . . . . . . . . . 11.8 t60 42.23 -109.2 0.11 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.788 1.635 . . . . 0.0 110.38 -173.197 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 369' ' ' LEU . . . . . 0.43 HD22 HD11 ' A' 1547 ' ' LEU . 5.8 tp -158.15 140.88 14.68 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 104.759 -2.311 . . . . 0.0 104.759 -175.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 370' ' ' MLY . . . . . 0.415 HH12 ' CE3' ' A' 1495 ' ' TRP . . . . . . . . 0 N--CA 1.468 0.448 0 C-N-CA 124.926 1.291 . . . . 0.0 112.442 172.609 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 371' ' ' SER . . . . . . . . . . . . . 2.6 p 55.66 -1.86 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 129.4 3.08 . . . . 0.0 116.844 169.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 372' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -82.33 115.3 21.32 Favored 'General case' 0 CA--C 1.53 0.201 0 O-C-N 121.054 -1.029 . . . . 0.0 109.024 -173.337 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 373' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt 48.67 31.34 2.96 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.711 1.605 . . . . 0.0 113.244 172.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 374' ' ' GLY . . . . . . . . . . . . . . . 150.33 -169.62 30.29 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 108.422 -1.871 . . . . 0.0 108.422 -170.353 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -59.97 -36.43 77.12 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 117.326 0.563 . . . . 0.0 110.779 175.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 40.7 m -153.65 165.57 35.54 Favored 'General case' 0 C--O 1.242 0.663 0 C-N-CA 125.858 1.663 . . . . 0.0 108.335 175.606 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 3.2 m . . . . . 0 C--O 1.254 1.302 0 C-N-CA 125.149 1.38 . . . . 0.0 110.122 172.079 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.699 0 CA-C-O 121.29 0.383 . . . . 0.0 112.552 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 13.4 t60 -150.63 171.1 17.65 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 125.593 1.557 . . . . 0.0 108.483 178.529 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 75.1 mtm -59.31 150.9 24.7 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.693 0.797 . . . . 0.0 110.279 171.002 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 58.4 t30 -66.67 154.86 39.54 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 171.082 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 18.0 m -65.13 96.19 0.2 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.094 0.957 . . . . 0.0 109.913 173.544 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 88.1 m-85 67.66 -63.96 0.29 Allowed 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 127.973 2.509 . . . . 0.0 114.342 169.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 6.4 t -58.67 115.12 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 C-N-CA 125.673 1.589 . . . . 0.0 108.662 -173.566 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 114.12 -22.81 13.5 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 125.145 1.355 . . . . 0.0 112.388 179.523 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 8.9 mp -75.2 138.76 42.18 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 118.955 1.378 . . . . 0.0 111.105 -173.12 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 54.3 mtp180 -78.23 128.26 33.47 Favored 'General case' 0 C--O 1.23 0.056 0 N-CA-C 105.523 -2.028 . . . . 0.0 105.523 168.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 19.0 m -145.81 -172.18 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 C-N-CA 125.751 1.62 . . . . 0.0 107.838 -175.02 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 5.1 t -122.73 147.63 26.85 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.114 0 N-CA-C 105.689 -1.967 . . . . 0.0 105.689 169.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -145.22 152.03 39.34 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 124.362 1.065 . . . . 0.0 108.318 -169.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 82.1 tttt -82.59 134.56 35.18 Favored 'General case' 0 CA--C 1.507 -0.674 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 178.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1495 ' ' TRP . . . . . 0.44 ' CE3' HH12 ' B' ' 370' ' ' MLY . 27.8 t-105 -83.26 90.49 7.13 Favored 'General case' 0 N--CA 1.44 -0.974 0 N-CA-C 105.12 -2.178 . . . . 0.0 105.12 169.061 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 11.8 m -56.89 -25.93 57.93 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.929 1.292 . . . . 0.0 112.578 -172.027 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 8.2 m -67.8 -7.51 28.27 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.15 0.98 . . . . 0.0 113.219 178.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 39.8 t30 -149.67 -52.5 0.15 Allowed 'General case' 0 C--N 1.349 0.555 0 CA-C-N 120.303 1.41 . . . . 0.0 114.123 168.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . 164.87 -44.79 0.29 Allowed Glycine 0 C--N 1.344 1.013 0 N-CA-C 118.088 1.995 . . . . 0.0 118.088 -179.534 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 4.5 m-30 -78.38 163.4 25.69 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.634 1.717 . . . . 0.0 111.887 -169.466 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 2.2 m-30 -110.93 112.99 25.21 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 -169.652 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -108.59 151.8 25.63 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 125.698 1.599 . . . . 0.0 108.65 -172.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 3.9 m -74.07 150.42 40.6 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 123.077 0.551 . . . . 0.0 110.299 178.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -173.58 -175.22 41.14 Favored Glycine 0 C--N 1.332 0.344 0 O-C-N 121.551 -0.718 . . . . 0.0 111.94 -175.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -128.35 129.53 46.39 Favored 'General case' 0 CA--C 1.516 -0.351 0 C-N-CA 125.98 1.712 . . . . 0.0 106.817 -173.069 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 16.6 mt -72.47 130.87 35.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 106.905 -1.517 . . . . 0.0 106.905 179.338 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 65.6 p -105.81 -36.83 6.9 Favored 'General case' 0 CA--C 1.519 -0.24 0 C-N-CA 123.109 0.563 . . . . 0.0 110.513 -171.478 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.81 142.21 3.59 Favored 'General case' 0 C--N 1.344 0.343 0 C-N-CA 123.934 0.894 . . . . 0.0 111.21 177.202 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 7.4 t0 -69.49 102.92 1.91 Allowed 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 125.143 1.377 . . . . 0.0 107.748 168.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.5 t -64.9 -50.23 76.08 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 -175.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 146.66 165.41 11.61 Favored Glycine 0 C--N 1.337 0.612 0 N-CA-C 109.763 -1.335 . . . . 0.0 109.763 177.466 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 59.71 4.74 0.59 Allowed 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 115.262 1.579 . . . . 0.0 115.262 178.386 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 107.93 -7.27 35.59 Favored Glycine 0 CA--C 1.525 0.7 0 C-N-CA 124.749 1.166 . . . . 0.0 111.075 -173.53 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -74.61 138.03 42.7 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 120.462 2.131 . . . . 0.0 108.159 169.627 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -127.26 136.96 52.72 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 104.902 -2.258 . . . . 0.0 104.902 169.65 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -83.81 137.72 33.58 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 176.409 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.0 mm? -124.63 119.13 28.13 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 125.1 1.36 . . . . 0.0 108.144 -169.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 32.8 tp -83.75 94.31 8.13 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 103.929 -2.619 . . . . 0.0 103.929 169.172 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -55.85 148.47 16.82 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 172.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -65.6 -14.49 61.26 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.2 0.6 . . . . 0.0 112.351 -169.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 18.5 p-10 -90.34 0.78 57.1 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.686 1.594 . . . . 0.0 113.495 174.388 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 110.06 -6.0 30.63 Favored Glycine 0 CA--C 1.532 1.139 0 C-N-CA 124.926 1.25 . . . . 0.0 114.755 168.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -79.47 154.58 28.79 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 118.226 1.013 . . . . 0.0 109.415 -175.15 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -139.35 118.07 12.32 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 -175.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 10.7 m -145.93 158.14 43.87 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.819 1.248 . . . . 0.0 107.896 -178.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -80.75 143.0 33.25 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 171.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 88.9 t -141.88 139.65 30.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 N-CA-C 107.0 -1.482 . . . . 0.0 107.0 177.614 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.0 mt -77.68 150.82 34.47 Favored 'General case' 0 C--O 1.22 -0.491 0 O-C-N 121.819 -0.551 . . . . 0.0 111.022 179.411 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -54.89 -35.06 57.99 Favored Glycine 0 CA--C 1.523 0.589 0 C-N-CA 124.744 1.164 . . . . 0.0 112.743 -178.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.81 -33.14 64.16 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 117.711 0.756 . . . . 0.0 110.415 176.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -100.49 23.15 10.68 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 125.93 1.692 . . . . 0.0 111.992 -170.675 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -131.22 136.82 56.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 N-CA-C 106.652 -1.61 . . . . 0.0 106.652 179.33 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 62.5 mt -118.36 113.71 21.82 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 127.592 2.357 . . . . 0.0 104.813 -174.308 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1534 ' ' LEU . . . . . 0.549 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -110.36 -2.4 16.68 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 116.535 2.05 . . . . 0.0 116.535 -169.126 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 23.5 p -130.45 57.54 1.71 Allowed 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 104.076 -2.565 . . . . 0.0 104.076 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -98.63 19.23 0.04 OUTLIER Pre-proline 0 CA--C 1.543 0.709 0 N-CA-C 120.858 3.651 . . . . 0.0 120.858 -168.061 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -57.63 113.13 1.37 Allowed 'Trans proline' 0 CA--C 1.541 0.844 0 CA-C-N 125.005 2.823 . . . . 0.0 105.492 168.683 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 15.8 mm -60.94 124.32 79.33 Favored Pre-proline 0 CA--C 1.537 0.467 0 CA-C-O 118.376 -0.821 . . . . 0.0 109.559 -167.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -62.07 141.23 88.05 Favored 'Trans proline' 0 N--CA 1.451 -1.009 0 C-N-CA 121.724 1.616 . . . . 0.0 110.056 174.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1540 ' ' LEU . . . . . 0.488 ' H ' HD12 ' A' 1540 ' ' LEU . 4.1 mp -56.7 144.26 33.18 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 169.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 21.3 t70 82.24 -7.74 1.31 Allowed 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 127.442 2.297 . . . . 0.0 113.512 -176.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 18.3 m -68.77 136.47 52.84 Favored 'General case' 0 C--O 1.239 0.513 0 O-C-N 120.972 -1.08 . . . . 0.0 108.497 170.417 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -79.27 137.07 37.23 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 171.207 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 1.8 m -145.56 160.27 12.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 124.359 1.063 . . . . 0.0 109.172 -176.504 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 35.2 m -89.73 139.26 30.74 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 105.617 -1.994 . . . . 0.0 105.617 169.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -113.36 144.97 41.86 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 125.187 1.395 . . . . 0.0 107.782 176.261 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -139.06 114.09 9.41 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 123.897 0.879 . . . . 0.0 109.775 -169.774 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 18.9 m -62.14 150.17 39.37 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 105.768 -1.938 . . . . 0.0 105.768 167.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -61.82 -17.6 56.89 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 115.137 1.532 . . . . 0.0 115.137 -168.547 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 20.2 t0 -86.04 -62.51 1.5 Allowed 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 119.552 1.069 . . . . 0.0 111.157 178.052 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -167.83 -13.48 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 173.039 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -59.3 122.67 14.47 Favored 'General case' 0 C--N 1.341 0.229 0 CA-C-N 119.953 1.252 . . . . 0.0 110.108 -170.62 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -115.94 133.0 56.48 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 125.412 1.485 . . . . 0.0 110.57 -168.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 1.1 p -152.36 178.14 9.84 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.669 1.588 . . . . 0.0 108.876 173.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -136.17 158.93 43.24 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 119.967 1.258 . . . . 0.0 111.31 174.387 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -171.48 -160.69 20.62 Favored Glycine 0 CA--C 1.528 0.849 0 N-CA-C 108.776 -1.73 . . . . 0.0 108.776 -172.537 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.8 t -131.32 143.54 40.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-N 118.279 1.04 . . . . 0.0 109.024 -174.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 80.3 t -66.49 125.14 23.14 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 173.624 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 86.4 mttt -134.27 22.45 3.76 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 118.999 0.818 . . . . 0.0 112.039 171.077 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -179.44 171.36 43.14 Favored Glycine 0 C--N 1.34 0.805 0 O-C-N 121.322 -0.861 . . . . 0.0 111.528 169.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 8.3 m80 -137.17 154.72 50.16 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.793 1.637 . . . . 0.0 110.555 -177.003 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 47.8 ttt180 -150.7 160.69 43.67 Favored 'General case' 0 N--CA 1.461 0.094 0 C-N-CA 125.198 1.399 . . . . 0.0 107.264 170.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -131.6 126.69 35.4 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 106.173 -1.788 . . . . 0.0 106.173 169.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -150.99 138.93 19.94 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -174.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 40.6 m 49.86 30.77 4.09 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 176.407 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 68.11 34.1 80.34 Favored Glycine 0 CA--C 1.53 0.97 0 CA-C-O 119.326 -0.708 . . . . 0.0 112.426 -178.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -138.74 147.13 42.29 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 105.763 -1.94 . . . . 0.0 105.763 175.388 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 55.8 tp -93.89 134.28 36.43 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 125.326 1.45 . . . . 0.0 107.603 -175.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -124.33 155.02 39.45 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 125.141 1.376 . . . . 0.0 108.966 -172.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -137.45 131.92 32.62 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 106.85 -1.537 . . . . 0.0 106.85 -174.139 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.9 t -85.96 98.82 11.03 Favored 'General case' 0 CA--C 1.514 -0.432 0 N-CA-C 102.773 -3.047 . . . . 0.0 102.773 169.184 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 31.2 mm -80.09 125.8 39.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 105.255 -2.128 . . . . 0.0 105.255 173.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -82.87 115.92 21.96 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 102.552 -3.129 . . . . 0.0 102.552 168.343 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 19.7 ttpt -141.37 135.83 30.85 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 104.668 -2.345 . . . . 0.0 104.668 -170.539 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 54.69 25.94 7.0 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 122.96 0.504 . . . . 0.0 111.705 -172.109 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 78.56 15.19 81.22 Favored Glycine 0 CA--C 1.53 1.016 0 CA-C-O 118.834 -0.981 . . . . 0.0 113.53 177.095 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -142.62 156.01 45.02 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 118.742 1.271 . . . . 0.0 110.509 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 69.6 mtp180 -79.1 135.57 36.89 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 124.023 0.929 . . . . 0.0 109.393 -174.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -142.49 129.6 20.86 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 106.384 -1.71 . . . . 0.0 106.384 -179.296 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 90.6 m95 -80.99 126.4 31.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 118.551 0.614 . . . . 0.0 109.88 178.014 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -128.89 161.8 29.01 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 106.792 -1.558 . . . . 0.0 106.792 169.246 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -107.69 165.87 11.11 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.658 1.183 . . . . 0.0 110.113 -175.144 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -51.37 -44.2 62.04 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 120.152 1.342 . . . . 0.0 113.296 -175.33 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -68.63 -26.62 65.43 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 121.209 1.822 . . . . 0.0 112.471 177.667 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -87.56 -3.83 58.98 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.767 1.227 . . . . 0.0 111.346 179.522 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 88.2 t -118.36 93.01 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 N-CA-C 105.11 -2.182 . . . . 0.0 105.11 -179.551 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 7.8 pt -108.73 167.7 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 N-CA-C 107.343 -1.354 . . . . 0.0 107.343 -174.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 5.6 mt -113.35 124.72 53.12 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 -176.71 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.62 144.3 56.36 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 105.418 -2.068 . . . . 0.0 105.418 168.511 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.3 pp -52.59 -36.78 56.79 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 -168.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -65.42 -37.75 87.88 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -177.451 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -79.37 -43.3 23.74 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 -177.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -55.09 -33.73 57.79 Favored Glycine 0 CA--C 1.526 0.754 0 C-N-CA 123.377 0.513 . . . . 0.0 111.979 174.296 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -62.88 -44.3 96.47 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 118.339 1.069 . . . . 0.0 111.432 176.452 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 40.7 mtt180 -61.63 -16.67 50.5 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 112.557 0.576 . . . . 0.0 112.557 176.383 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.9 mp -95.83 -30.16 13.83 Favored 'General case' 0 C--N 1.342 0.279 0 C-N-CA 123.5 0.72 . . . . 0.0 110.588 171.21 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 68.0 ttp85 -56.63 -38.51 72.2 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.148 1.379 . . . . 0.0 111.785 -176.308 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -58.0 -22.62 50.43 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 118.545 -0.741 . . . . 0.0 112.962 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -115.28 -45.58 2.93 Favored 'General case' 0 C--N 1.348 0.521 0 CA-C-N 119.611 1.096 . . . . 0.0 112.382 178.348 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 8.0 m-30 -92.13 -8.04 46.82 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 123.977 0.911 . . . . 0.0 112.625 -169.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -56.8 131.92 51.9 Favored Glycine 0 CA--C 1.525 0.682 0 C-N-CA 125.335 1.445 . . . . 0.0 110.875 179.038 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1602 ' ' LEU . . . . . 0.549 HD22 HD23 ' A' 1534 ' ' LEU . 0.6 OUTLIER -65.96 -45.54 81.36 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 118.55 1.175 . . . . 0.0 109.037 174.065 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.12 0 N-CA-C 109.651 -1.379 . . . . 0.0 109.651 -174.747 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 363' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 . . . . . 0 N--CA 1.494 1.728 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -138.28 75.6 1.53 Allowed 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.334 1.454 . . . . 0.0 107.083 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 365' ' ' HIS . . . . . . . . . . . . . 41.0 t60 63.97 171.33 0.17 Allowed 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 126.511 1.925 . . . . 0.0 111.819 -169.657 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 366' ' ' SER . . . . . . . . . . . . . 40.5 m -71.69 176.71 4.62 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.152 0.981 . . . . 0.0 109.663 169.444 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 5.7 m -57.19 -23.93 51.01 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.111 0.964 . . . . 0.0 113.333 176.514 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 368' ' ' HIS . . . . . . . . . . . . . 4.5 t60 58.62 -68.34 0.03 OUTLIER 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 128.117 2.567 . . . . 0.0 112.606 -169.584 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 369' ' ' LEU . . . . . 0.528 ' HG ' ' H ' ' B' ' 371' ' ' SER . 44.8 tp -163.86 -71.69 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 119.995 1.27 . . . . 0.0 111.254 -176.66 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 370' ' ' MLY . . . . . 0.44 HH12 ' CE3' ' A' 1495 ' ' TRP . . . . . . . . 0 N--CA 1.478 0.973 0 C-N-CA 127.105 2.162 . . . . 0.0 114.8 -175.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 371' ' ' SER . . . . . 0.528 ' H ' ' HG ' ' B' ' 369' ' ' LEU 0.296 18.0 p 48.6 12.23 0.04 OUTLIER 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 129.738 3.215 . . . . 0.0 116.154 177.568 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 372' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -149.13 166.79 27.72 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.155 1.382 . . . . 0.0 110.383 174.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 373' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm 48.94 34.77 5.79 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.733 1.613 . . . . 0.0 112.806 175.227 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 374' ' ' GLY . . . . . . . . . . . . . . . 174.05 165.46 30.7 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 109.432 -1.467 . . . . 0.0 109.432 176.487 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 49.33 31.01 3.5 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.101 1.36 . . . . 0.0 112.695 -177.099 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 1.2 p -67.31 -24.76 65.78 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.741 1.216 . . . . 0.0 112.391 179.133 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 24.1 m . . . . . 0 C--O 1.252 1.217 0 C-N-CA 126.343 1.857 . . . . 0.0 106.32 179.484 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.515 0 N-CA-C 111.678 -0.569 . . . . 0.0 111.678 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -149.34 174.81 12.03 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.156 1.382 . . . . 0.0 108.312 177.105 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? 49.23 51.19 16.73 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.626 1.17 . . . . 0.0 110.31 -173.053 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 35.1 t30 -140.89 137.07 32.92 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 124.3 1.04 . . . . 0.0 108.737 -172.081 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 14.3 m 40.42 67.68 0.48 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.813 1.645 . . . . 0.0 111.717 -176.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 89.5 m-85 77.12 -54.49 0.55 Allowed 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 127.459 2.303 . . . . 0.0 112.739 176.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 3.1 t -64.69 125.45 21.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -170.119 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 101.59 -23.76 33.91 Favored Glycine 0 CA--C 1.529 0.954 0 C-N-CA 125.499 1.523 . . . . 0.0 113.177 -178.132 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 49.1 mt -69.73 135.43 49.77 Favored 'General case' 0 C--N 1.342 0.275 0 CA-C-N 119.217 1.509 . . . . 0.0 111.58 -173.36 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 58.2 mtm180 -77.62 127.16 32.01 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 105.897 -1.89 . . . . 0.0 105.897 168.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 20.3 m -146.86 -174.48 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 C-N-CA 125.506 1.522 . . . . 0.0 107.13 -173.15 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 1.9 t -120.51 148.07 23.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 106.114 -1.81 . . . . 0.0 106.114 171.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -148.33 150.25 33.27 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 123.892 0.877 . . . . 0.0 109.259 -170.516 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 78.1 tttt -82.94 132.65 35.14 Favored 'General case' 0 CA--C 1.513 -0.465 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 178.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1495 ' ' TRP . . . . . 0.445 ' CE3' HH12 ' B' ' 370' ' ' MLY . 23.6 t-105 -77.9 136.17 37.99 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 169.554 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 1.5 m -60.54 -21.66 62.76 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 117.999 2.592 . . . . 0.0 117.999 -168.507 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 13.3 m -77.11 46.73 0.5 Allowed 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 121.03 1.741 . . . . 0.0 111.61 178.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 66.1 t30 45.56 44.55 10.11 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.464 1.905 . . . . 0.0 111.175 -169.491 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -90.85 -177.78 43.74 Favored Glycine 0 C--N 1.341 0.813 0 CA-C-O 122.524 1.069 . . . . 0.0 114.421 -169.529 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 11.1 m-30 -69.73 168.44 14.97 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 126.323 1.849 . . . . 0.0 110.248 170.137 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -93.34 107.52 19.33 Favored 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 105.264 -2.125 . . . . 0.0 105.264 -178.489 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -99.0 152.55 19.69 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.279 1.032 . . . . 0.0 108.274 -176.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 5.2 m -75.14 148.54 39.55 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.432 0.693 . . . . 0.0 110.21 178.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -171.26 179.99 42.73 Favored Glycine 0 CA--C 1.523 0.558 0 O-C-N 121.766 -0.584 . . . . 0.0 111.717 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.54 134.86 54.71 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 106.373 -1.714 . . . . 0.0 106.373 177.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 7.7 mt -70.49 134.25 30.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 171.271 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 70.0 p -109.12 -35.06 6.41 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 123.087 0.555 . . . . 0.0 110.455 -171.296 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.63 143.69 3.38 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.314 1.046 . . . . 0.0 111.558 175.54 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 7.2 t0 -69.82 102.9 2.04 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.249 1.42 . . . . 0.0 108.647 169.374 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.3 t -65.22 -49.97 76.17 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -176.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 145.62 164.8 10.98 Favored Glycine 0 C--N 1.338 0.653 0 N-CA-C 109.911 -1.276 . . . . 0.0 109.911 178.05 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 60.04 4.93 0.68 Allowed 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 115.151 1.537 . . . . 0.0 115.151 177.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 108.41 -7.8 34.73 Favored Glycine 0 C--N 1.337 0.626 0 C-N-CA 124.903 1.24 . . . . 0.0 110.938 -173.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -75.4 138.03 41.43 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 120.09 1.945 . . . . 0.0 108.506 169.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -128.11 137.4 52.1 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 105.197 -2.149 . . . . 0.0 105.197 169.612 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 29.7 ttpt -83.84 139.56 32.58 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 177.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 2.8 mm? -124.99 118.31 25.95 Favored 'General case' 0 CA--C 1.51 -0.595 0 C-N-CA 125.104 1.361 . . . . 0.0 108.614 -169.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 40.7 tp -83.39 93.94 7.87 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 104.3 -2.481 . . . . 0.0 104.3 168.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -56.36 146.35 24.39 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 170.285 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -64.41 -20.86 66.42 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -170.099 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -81.69 3.46 25.41 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.381 1.472 . . . . 0.0 113.204 174.363 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 103.88 -4.01 45.59 Favored Glycine 0 CA--C 1.528 0.869 0 C-N-CA 125.243 1.402 . . . . 0.0 114.8 169.189 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -80.91 153.88 27.33 Favored 'General case' 0 C--O 1.231 0.089 0 CA-C-N 118.189 0.994 . . . . 0.0 109.267 -175.32 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -141.43 117.63 10.69 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 -176.284 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 85.5 m -144.76 162.72 36.05 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 125.231 1.413 . . . . 0.0 107.936 174.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -75.72 145.32 40.96 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 170.086 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 93.8 t -140.79 139.81 34.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 106.885 -1.524 . . . . 0.0 106.885 173.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.8 mt -77.38 150.67 35.07 Favored 'General case' 0 CA--C 1.51 -0.571 0 C-N-CA 122.941 0.497 . . . . 0.0 111.227 178.629 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -53.45 -35.57 51.36 Favored Glycine 0 CA--C 1.523 0.56 0 C-N-CA 124.952 1.263 . . . . 0.0 113.27 -179.072 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.97 -29.4 63.21 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 117.528 0.664 . . . . 0.0 110.891 177.361 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -106.14 21.83 16.7 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 126.03 1.732 . . . . 0.0 111.845 -170.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -131.63 132.61 62.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 N-CA-C 105.86 -1.904 . . . . 0.0 105.86 178.27 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 9.9 mp -117.82 119.87 36.21 Favored 'General case' 0 CA--C 1.516 -0.332 0 N-CA-C 104.521 -2.4 . . . . 0.0 104.521 -174.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1534 ' ' LEU . . . . . 0.513 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -113.3 -2.81 13.93 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 116.971 2.211 . . . . 0.0 116.971 -168.155 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 24.3 p -132.01 50.39 2.24 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 106.163 -1.792 . . . . 0.0 106.163 -177.493 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 54.5 t0 -116.87 60.49 2.36 Favored Pre-proline 0 CA--C 1.539 0.554 0 N-CA-C 116.28 1.956 . . . . 0.0 116.28 -168.273 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -71.73 122.4 8.5 Favored 'Trans proline' 0 CA--C 1.544 1.013 1 N-CA-C 100.743 -4.368 . . . . 0.0 100.743 165.844 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1538 ' ' ILE . . . . . 0.412 HG21 HG11 ' A' 1544 ' ' VAL . 7.0 mm -59.9 124.05 74.89 Favored Pre-proline 0 CA--C 1.542 0.643 0 CA-C-N 119.13 0.877 . . . . 0.0 108.974 -168.467 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -62.92 142.71 89.36 Favored 'Trans proline' 0 N--CA 1.453 -0.909 0 C-N-CA 121.992 1.794 . . . . 0.0 110.265 176.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1540 ' ' LEU . . . . . 0.445 ' H ' HD12 ' A' 1540 ' ' LEU . 3.9 mp -57.47 147.46 26.45 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 169.788 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 21.2 t70 75.86 -5.78 2.11 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 127.169 2.188 . . . . 0.0 113.681 -176.173 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 24.0 m -70.11 134.06 47.79 Favored 'General case' 0 C--O 1.239 0.524 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 170.428 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -76.73 137.67 39.48 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 170.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1544 ' ' VAL . . . . . 0.412 HG11 HG21 ' A' 1538 ' ' ILE . 2.6 m -146.54 162.56 9.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 124.699 1.2 . . . . 0.0 109.297 -176.192 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 7.7 m -89.07 143.04 27.13 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 105.725 -1.954 . . . . 0.0 105.725 169.515 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -120.03 136.72 54.46 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 125.661 1.585 . . . . 0.0 107.254 177.455 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1547 ' ' LEU . . . . . 0.468 HD11 HD22 ' B' ' 369' ' ' LEU . 0.2 OUTLIER -138.69 113.69 9.3 Favored 'General case' 0 CA--C 1.515 -0.4 0 C-N-CA 123.646 0.779 . . . . 0.0 110.354 -170.042 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 11.8 m -64.13 138.33 58.4 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 105.226 -2.139 . . . . 0.0 105.226 168.269 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -62.15 13.62 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 117.468 2.396 . . . . 0.0 117.468 -169.023 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 32.9 t70 -109.22 -57.28 2.18 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 119.426 1.012 . . . . 0.0 110.527 171.345 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -170.1 -19.1 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 174.432 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -58.77 121.41 11.01 Favored 'General case' 0 C--N 1.344 0.351 0 CA-C-N 119.147 0.885 . . . . 0.0 109.317 -171.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 1.7 t80 -121.46 133.81 55.06 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 125.08 1.352 . . . . 0.0 110.389 -168.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 2.5 p -152.25 178.44 9.5 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.73 1.612 . . . . 0.0 109.37 171.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -135.05 157.35 47.15 Favored 'General case' 0 CA--C 1.534 0.335 0 O-C-N 120.798 -1.189 . . . . 0.0 111.051 172.255 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.29 -161.57 21.07 Favored Glycine 0 CA--C 1.527 0.825 0 C-N-CA 126.334 1.921 . . . . 0.0 109.194 -171.659 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.5 t -130.33 143.72 40.13 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-N 118.824 1.312 . . . . 0.0 109.539 -173.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 85.0 t -66.89 128.69 30.52 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 173.511 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -133.36 14.67 4.14 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.59 1.156 . . . . 0.0 111.764 171.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -176.67 173.61 46.41 Favored Glycine 0 C--N 1.339 0.719 0 CA-C-N 119.242 0.928 . . . . 0.0 111.921 171.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 8.4 m80 -138.04 153.45 49.36 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 126.304 1.842 . . . . 0.0 110.3 -175.667 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 29.7 ttt85 -148.28 159.29 44.13 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 170.031 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 12.0 mmtp -127.58 133.17 49.75 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 105.991 -1.855 . . . . 0.0 105.991 169.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -148.14 131.3 16.39 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 -178.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 33.4 m 47.13 39.15 7.68 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.126 1.371 . . . . 0.0 113.38 176.414 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 74.08 27.4 66.45 Favored Glycine 0 CA--C 1.53 0.995 0 CA-C-O 119.261 -0.744 . . . . 0.0 112.677 176.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -140.55 156.78 46.2 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 119.021 1.411 . . . . 0.0 108.315 176.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 32.1 tp -101.4 143.19 31.73 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 125.11 1.364 . . . . 0.0 110.102 -169.4 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -133.44 158.16 43.78 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 126.007 1.723 . . . . 0.0 108.58 -174.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -140.91 135.15 30.99 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 -174.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 48.5 t -86.61 103.65 15.3 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 102.342 -3.207 . . . . 0.0 102.342 168.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 29.3 mm -83.86 123.47 38.89 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.564 0 N-CA-C 105.5 -2.037 . . . . 0.0 105.5 172.479 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -83.0 121.67 27.3 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 103.112 -2.922 . . . . 0.0 103.112 168.597 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -143.14 135.07 26.86 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 104.956 -2.238 . . . . 0.0 104.956 -171.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 54.49 26.41 7.15 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.326 0.65 . . . . 0.0 111.965 -173.208 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 77.43 17.54 79.08 Favored Glycine 0 CA--C 1.53 0.977 0 CA-C-O 118.795 -1.003 . . . . 0.0 113.268 177.435 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -141.45 155.43 45.86 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 118.615 1.208 . . . . 0.0 110.414 178.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -80.47 139.35 36.46 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.898 0.879 . . . . 0.0 109.642 -174.172 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -144.75 127.07 15.81 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 106.45 -1.685 . . . . 0.0 106.45 178.614 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 93.0 m95 -80.87 131.48 35.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 118.848 0.749 . . . . 0.0 110.181 177.355 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -132.48 162.65 30.66 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.076 1.35 . . . . 0.0 108.305 169.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -102.74 164.66 11.5 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.349 1.46 . . . . 0.0 110.101 -175.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 21.9 ttp180 -51.71 -43.26 62.74 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 120.297 1.408 . . . . 0.0 114.179 -177.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.03 -21.28 62.29 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 121.463 1.938 . . . . 0.0 112.884 177.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -86.95 -8.31 57.34 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 124.566 1.147 . . . . 0.0 111.197 178.09 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 71.8 t -118.93 92.21 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 N-CA-C 105.297 -2.112 . . . . 0.0 105.297 -176.118 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 14.7 pt -110.81 160.03 10.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 -172.246 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 6.1 mt -103.63 118.23 36.23 Favored 'General case' 0 CA--C 1.511 -0.54 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 -176.311 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.06 137.44 51.19 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 105.513 -2.032 . . . . 0.0 105.513 169.336 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.6 pp -50.47 -38.55 44.43 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -168.325 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -69.94 -35.39 74.47 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.125 0.875 . . . . 0.0 110.033 -177.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -69.69 -47.42 63.26 Favored 'General case' 0 C--O 1.227 -0.08 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 176.251 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -62.31 -31.56 79.68 Favored Glycine 0 C--N 1.338 0.679 0 CA-C-O 119.647 -0.53 . . . . 0.0 112.104 -179.498 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -58.62 -41.61 86.31 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 118.976 1.388 . . . . 0.0 111.704 177.387 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 29.3 mtp85 -61.36 -16.23 44.13 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.032 0.533 . . . . 0.0 112.337 178.271 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 7.4 mp -103.75 -26.74 12.62 Favored 'General case' 0 C--N 1.341 0.221 0 C-N-CA 124.82 1.248 . . . . 0.0 110.241 175.66 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 9.0 tmm_? -59.51 -37.9 79.51 Favored 'General case' 0 C--O 1.224 -0.264 0 C-N-CA 124.356 1.062 . . . . 0.0 110.395 -176.384 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -57.59 -20.63 33.81 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.843 0.857 . . . . 0.0 113.233 178.163 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -114.18 -47.25 2.95 Favored 'General case' 0 C--N 1.345 0.39 0 CA-C-N 119.658 1.117 . . . . 0.0 111.61 179.063 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 11.7 m-30 -90.08 -17.67 27.31 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 124.183 0.993 . . . . 0.0 112.467 -169.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -43.9 130.5 6.62 Favored Glycine 0 CA--C 1.529 0.916 0 C-N-CA 126.224 1.868 . . . . 0.0 111.784 170.369 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1602 ' ' LEU . . . . . 0.513 HD22 HD23 ' A' 1534 ' ' LEU . 0.8 OUTLIER -65.37 -43.32 91.12 Favored 'General case' 0 C--N 1.342 0.248 0 CA-C-N 118.126 0.963 . . . . 0.0 109.252 174.722 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.251 0 N-CA-C 109.305 -1.518 . . . . 0.0 109.305 -174.128 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 363' ' ' ARG . . . . . . . . . . . . . 22.9 tpp85 . . . . . 0 N--CA 1.495 1.777 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -73.3 -32.26 64.52 Favored 'General case' 0 C--N 1.346 0.429 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -170.274 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 365' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -153.43 169.7 22.51 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 123.881 0.872 . . . . 0.0 110.004 -172.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 366' ' ' SER . . . . . . . . . . . . . 24.9 m -57.96 168.45 0.96 Allowed 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.893 1.277 . . . . 0.0 111.035 169.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 5.7 m -59.02 -22.3 60.45 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -179.469 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 368' ' ' HIS . . . . . . . . . . . . . 19.4 t60 47.51 -98.09 0.04 OUTLIER 'General case' 0 C--N 1.343 0.3 0 C-N-CA 126.749 2.02 . . . . 0.0 110.689 -171.124 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 369' ' ' LEU . . . . . 0.493 ' HG ' ' H ' ' B' ' 371' ' ' SER . 9.0 tp -158.96 140.97 13.7 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 105.111 -2.181 . . . . 0.0 105.111 -179.154 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 370' ' ' MLY . . . . . 0.445 HH12 ' CE3' ' A' 1495 ' ' TRP . . . . . . . . 0 CA--C 1.536 0.431 0 C-N-CA 125.693 1.597 . . . . 0.0 109.136 170.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 371' ' ' SER . . . . . 0.493 ' H ' ' HG ' ' B' ' 369' ' ' LEU . 0.8 OUTLIER 40.68 53.27 3.13 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 129.004 2.922 . . . . 0.0 116.224 169.013 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 372' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -136.5 139.2 42.12 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.412 0.685 . . . . 0.0 109.342 169.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 373' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -59.75 143.02 52.03 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 170.323 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 374' ' ' GLY . . . . . . . . . . . . . . . 113.1 -38.48 3.2 Favored Glycine 0 CA--C 1.527 0.842 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 -172.085 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -63.39 -40.98 98.68 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 169.297 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 50.3 m -143.2 156.09 44.68 Favored 'General case' 0 C--O 1.24 0.587 0 C-N-CA 127.751 2.421 . . . . 0.0 105.55 169.212 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 20.9 m . . . . . 0 C--O 1.253 1.271 0 N-CA-C 106.725 -1.583 . . . . 0.0 106.725 -174.128 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 89.1 m-85 . . . . . 0 N--CA 1.471 0.577 0 N-CA-C 114.028 1.121 . . . . 0.0 114.028 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 6.0 t -57.65 115.49 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 C-N-CA 125.689 1.596 . . . . 0.0 108.509 -174.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 113.59 -22.21 15.4 Favored Glycine 0 CA--C 1.532 1.121 0 C-N-CA 125.431 1.491 . . . . 0.0 112.475 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 9.8 mp -74.07 139.33 44.58 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.897 1.349 . . . . 0.0 110.91 -173.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -78.81 126.79 31.18 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 105.865 -1.902 . . . . 0.0 105.865 168.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 16.1 m -146.1 -175.62 0.53 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 C-N-CA 125.271 1.429 . . . . 0.0 107.944 -173.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 9.6 t -120.08 147.72 23.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 105.218 -2.142 . . . . 0.0 105.218 169.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -148.18 152.06 36.6 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.363 1.065 . . . . 0.0 108.786 -169.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 76.5 tttt -83.38 131.1 35.07 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 14.0 t-105 . . . . . 0 N--CA 1.447 -0.624 0 N-CA-C 107.429 -1.323 . . . . 0.0 107.429 169.063 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 1500 ' ' TYR . . . . . 0.413 ' CG ' ' HA ' ' A' 1589 ' ' SER . 11.7 m-30 . . . . . 0 C--O 1.233 0.209 0 CA-C-O 121.606 0.717 . . . . 0.0 110.705 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -94.63 110.05 21.91 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 106.149 -1.797 . . . . 0.0 106.149 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -103.83 153.39 20.8 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 124.7 1.2 . . . . 0.0 108.544 -176.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 2.6 m -70.34 147.12 49.97 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 123.79 0.836 . . . . 0.0 110.788 177.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -170.38 -175.97 39.54 Favored Glycine 0 C--O 1.225 -0.419 0 O-C-N 121.608 -0.683 . . . . 0.0 112.313 -178.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 34.1 mtmt -132.8 128.79 37.52 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 -173.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 22.3 mt -72.69 130.99 35.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 106.86 -1.533 . . . . 0.0 106.86 -178.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 71.6 p -106.59 -36.98 6.59 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 123.158 0.583 . . . . 0.0 110.483 -170.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.48 143.41 4.11 Favored 'General case' 0 C--N 1.344 0.345 0 C-N-CA 124.026 0.931 . . . . 0.0 110.93 176.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 7.4 t70 -71.0 103.03 2.56 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 168.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.5 t -64.3 -49.53 80.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 -176.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 148.65 166.2 12.76 Favored Glycine 0 C--N 1.34 0.756 0 N-CA-C 109.582 -1.407 . . . . 0.0 109.582 172.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.88 9.29 0.59 Allowed 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 177.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 107.97 -7.66 35.76 Favored Glycine 0 C--N 1.339 0.729 0 C-N-CA 125.133 1.349 . . . . 0.0 111.225 -177.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 12.1 mtpp -74.95 134.37 41.54 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-N 119.818 1.809 . . . . 0.0 106.863 170.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -125.64 138.07 53.9 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 105.508 -2.034 . . . . 0.0 105.508 169.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 29.2 ttpt -84.9 139.16 32.06 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 176.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.2 mm? -125.96 119.21 27.12 Favored 'General case' 0 CA--C 1.513 -0.473 0 C-N-CA 124.744 1.218 . . . . 0.0 108.6 -169.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 40.1 tp -83.88 94.74 8.29 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 104.341 -2.466 . . . . 0.0 104.341 169.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -57.08 150.12 17.87 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 173.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -61.98 -25.43 67.62 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 121.914 -0.491 . . . . 0.0 111.781 -172.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 30.0 p-10 -78.51 0.34 26.46 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.735 1.214 . . . . 0.0 113.244 175.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 103.12 -4.09 48.47 Favored Glycine 0 CA--C 1.532 1.13 0 C-N-CA 125.331 1.443 . . . . 0.0 113.321 169.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -79.23 156.17 28.25 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.181 0.991 . . . . 0.0 109.878 -176.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -141.49 117.37 10.48 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 123.757 0.823 . . . . 0.0 108.916 -175.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 87.5 m -144.71 168.35 20.4 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.898 1.679 . . . . 0.0 107.752 174.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -98.19 145.59 26.46 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 123.795 0.838 . . . . 0.0 110.142 178.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 96.1 t -144.04 138.82 24.76 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.442 0 N-CA-C 107.805 -1.184 . . . . 0.0 107.805 -172.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 7.3 mt -76.66 150.57 36.36 Favored 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 122.526 0.331 . . . . 0.0 110.603 178.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -53.78 -34.75 51.38 Favored Glycine 0 CA--C 1.523 0.54 0 C-N-CA 124.407 1.003 . . . . 0.0 113.268 -179.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.53 -32.69 63.14 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 122.104 -0.645 . . . . 0.0 110.673 177.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -101.74 22.88 12.14 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 126.27 1.828 . . . . 0.0 112.226 -170.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -130.23 135.88 59.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 179.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 42.0 mt -115.84 110.99 19.81 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 104.883 -2.266 . . . . 0.0 104.883 -175.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1534 ' ' LEU . . . . . 0.545 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -105.69 -2.9 22.77 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 116.761 2.134 . . . . 0.0 116.761 -169.275 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 21.8 p -134.27 49.43 2.25 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 107.006 -1.479 . . . . 0.0 107.006 -176.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 50.0 t0 -115.48 55.47 1.04 Allowed Pre-proline 0 CA--C 1.541 0.611 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 -168.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -67.21 122.75 10.07 Favored 'Trans proline' 0 CA--C 1.542 0.906 1 N-CA-C 101.158 -4.208 . . . . 0.0 101.158 166.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1538 ' ' ILE . . . . . 0.513 HG21 HG11 ' A' 1544 ' ' VAL . 9.5 mm -58.61 117.49 21.05 Favored Pre-proline 0 CA--C 1.538 0.499 0 CA-C-N 119.052 0.842 . . . . 0.0 108.885 -168.019 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -63.02 143.21 90.41 Favored 'Trans proline' 0 N--CA 1.451 -1.023 0 C-N-CA 121.804 1.669 . . . . 0.0 110.049 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1540 ' ' LEU . . . . . 0.434 ' H ' HD12 ' A' 1540 ' ' LEU . 3.7 mp -58.41 147.64 30.7 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 169.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 20.3 t70 74.64 -3.6 2.54 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 127.306 2.242 . . . . 0.0 113.707 -175.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 30.1 m -70.91 134.65 47.43 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 170.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -77.14 137.1 38.69 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 170.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1544 ' ' VAL . . . . . 0.513 HG11 HG21 ' A' 1538 ' ' ILE . 0.8 OUTLIER -147.53 161.2 7.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 C-N-CA 124.543 1.137 . . . . 0.0 109.667 -174.821 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 2.2 m -89.44 130.23 35.82 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 106.166 -1.791 . . . . 0.0 106.166 169.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -93.41 137.75 32.4 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 170.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.25 99.1 3.77 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.482 0.713 . . . . 0.0 110.323 -171.146 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 4.7 m -62.34 123.39 18.1 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 104.363 -2.458 . . . . 0.0 104.363 168.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -54.21 -21.52 9.16 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 115.727 1.751 . . . . 0.0 115.727 -168.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 37.7 t70 -67.62 -32.23 72.8 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 118.342 -0.837 . . . . 0.0 112.125 175.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 155.55 -20.03 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 129.003 2.921 . . . . 0.0 114.804 169.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -53.89 124.86 16.61 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 119.511 1.05 . . . . 0.0 110.399 -169.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 8.7 t80 -117.25 127.0 53.65 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 124.371 1.069 . . . . 0.0 111.015 -169.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 5.1 p -151.65 177.37 10.43 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.684 1.193 . . . . 0.0 109.634 170.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -134.69 159.09 42.37 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 119.773 1.17 . . . . 0.0 111.239 174.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -171.76 -160.01 19.32 Favored Glycine 0 CA--C 1.528 0.851 0 C-N-CA 126.267 1.889 . . . . 0.0 109.106 -171.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.7 t -133.0 142.35 42.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 CA-C-N 118.562 1.181 . . . . 0.0 109.49 -174.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 63.1 t -65.86 126.37 24.95 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 171.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 85.4 mttt -132.74 18.88 4.22 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.865 0.866 . . . . 0.0 111.453 170.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -176.97 173.38 46.26 Favored Glycine 0 C--N 1.34 0.754 0 O-C-N 121.338 -0.851 . . . . 0.0 111.953 170.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 8.9 m80 -137.11 154.15 50.35 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 126.524 1.93 . . . . 0.0 110.14 -178.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 . . . . . 0 N--CA 1.456 -0.134 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 172.856 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 24.8 tp . . . . . 0 C--O 1.233 0.205 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -131.96 159.12 39.63 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 126.019 1.728 . . . . 0.0 110.286 -174.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -141.32 132.58 26.53 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 -173.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 39.1 t -83.46 107.07 15.71 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 102.412 -3.181 . . . . 0.0 102.412 169.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 27.9 mm -88.88 126.03 41.96 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 N-CA-C 105.215 -2.143 . . . . 0.0 105.215 171.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -83.36 113.53 20.79 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 102.472 -3.158 . . . . 0.0 102.472 168.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -140.1 127.9 21.9 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 -168.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 48.68 39.95 14.72 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.413 1.085 . . . . 0.0 111.633 -172.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 67.3 28.91 73.77 Favored Glycine 0 CA--C 1.53 1.008 0 CA-C-O 119.075 -0.847 . . . . 0.0 112.893 175.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -136.17 149.81 48.78 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 174.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -91.3 117.3 29.53 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 106.851 -1.537 . . . . 0.0 106.851 175.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -129.79 129.8 44.53 Favored 'General case' 0 CA--C 1.522 -0.13 0 N-CA-C 107.326 -1.361 . . . . 0.0 107.326 -169.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 91.3 m95 -80.83 123.83 28.58 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -126.46 157.92 37.41 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 169.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 57.5 pttt -99.59 166.38 11.17 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.81 1.244 . . . . 0.0 110.008 -178.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 20.6 ttp-105 -43.59 -54.79 4.7 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-N 120.243 1.383 . . . . 0.0 112.76 -177.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 1.8 ppp? -72.45 -13.25 61.4 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 -174.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -94.43 -1.81 52.99 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 126.243 1.817 . . . . 0.0 110.465 171.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 57.8 t -120.46 89.97 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.593 0 N-CA-C 105.839 -1.911 . . . . 0.0 105.839 175.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 10.6 pt -111.57 165.55 6.59 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 -171.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 11.3 mt -113.29 114.93 27.38 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 -175.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1589 ' ' SER . . . . . 0.413 ' HA ' ' CG ' ' A' 1500 ' ' TYR . 5.0 m -57.81 146.03 32.96 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 106.273 -1.751 . . . . 0.0 106.273 169.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.8 pp -54.21 -36.78 63.85 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.569 1.077 . . . . 0.0 112.769 -169.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -64.86 -40.27 94.88 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.765 0.826 . . . . 0.0 109.795 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -68.04 -49.64 60.18 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.557 1.143 . . . . 0.0 108.143 176.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -61.29 -30.86 75.16 Favored Glycine 0 C--N 1.337 0.608 0 C-N-CA 124.241 0.924 . . . . 0.0 112.183 -176.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -53.41 -42.58 67.16 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 118.39 1.095 . . . . 0.0 111.721 174.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -61.14 -14.69 26.55 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.632 0.773 . . . . 0.0 112.568 -179.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 2.0 mp -109.53 -23.42 11.5 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 124.106 0.963 . . . . 0.0 110.822 176.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 2.4 ttp85 -59.1 -36.51 75.28 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 119.802 1.183 . . . . 0.0 111.612 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -57.63 -23.21 49.91 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 118.197 -0.906 . . . . 0.0 113.355 177.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -114.67 -46.77 2.93 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-N 119.765 1.166 . . . . 0.0 112.008 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 9.8 m-30 -91.85 -8.51 46.33 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 124.591 1.156 . . . . 0.0 112.72 -169.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -53.23 128.48 38.28 Favored Glycine 0 CA--C 1.527 0.834 0 C-N-CA 125.4 1.476 . . . . 0.0 110.282 175.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1602 ' ' LEU . . . . . 0.545 HD22 HD23 ' A' 1534 ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.466 0.36 0 CA-C-N 118.707 1.254 . . . . 0.0 108.957 174.337 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 86.6 m-85 . . . . . 0 N--CA 1.467 0.411 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 4.1 t -57.27 114.73 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 C-N-CA 125.825 1.65 . . . . 0.0 108.772 -175.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 114.55 -22.85 12.75 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 125.376 1.465 . . . . 0.0 112.353 179.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 8.4 mp -74.54 140.64 44.6 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 118.912 1.356 . . . . 0.0 110.994 -173.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 79.2 mtt85 -81.18 127.69 32.94 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 105.639 -1.985 . . . . 0.0 105.639 168.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 17.4 m -145.85 -177.44 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 125.237 1.415 . . . . 0.0 107.72 -173.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 15.7 t -116.72 143.26 27.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 105.197 -2.149 . . . . 0.0 105.197 169.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -145.34 152.78 40.43 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.613 1.165 . . . . 0.0 108.886 -169.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -82.56 129.48 34.94 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 178.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 30.7 t-105 . . . . . 0 C--N 1.326 -0.454 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 169.639 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 1500 ' ' TYR . . . . . 0.402 ' CG ' ' HA ' ' A' 1589 ' ' SER . 11.0 m-30 . . . . . 0 C--O 1.236 0.344 0 CA-C-O 121.575 0.703 . . . . 0.0 110.221 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -96.54 111.12 23.36 Favored 'General case' 0 N--CA 1.446 -0.635 0 N-CA-C 106.275 -1.75 . . . . 0.0 106.275 -176.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -105.55 160.13 15.41 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 125.092 1.357 . . . . 0.0 108.788 -175.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 57.6 m -72.67 145.43 47.23 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 118.717 0.69 . . . . 0.0 110.353 173.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -166.99 179.47 40.71 Favored Glycine 0 C--N 1.333 0.385 0 N-CA-C 111.494 -0.643 . . . . 0.0 111.494 178.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 33.5 mtmt -127.94 128.26 44.77 Favored 'General case' 0 CA--C 1.514 -0.442 0 N-CA-C 106.224 -1.769 . . . . 0.0 106.224 -171.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 23.8 mt -73.59 128.14 35.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 106.849 -1.537 . . . . 0.0 106.849 -177.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 62.7 p -103.74 -37.66 7.38 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 123.231 0.612 . . . . 0.0 110.098 -170.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -166.86 142.41 4.3 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 124.074 0.949 . . . . 0.0 111.551 176.107 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 6.6 t0 -69.01 102.54 1.63 Allowed 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 125.333 1.453 . . . . 0.0 107.792 168.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.5 t -65.05 -50.34 75.07 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 -175.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 145.95 165.81 11.64 Favored Glycine 0 C--N 1.339 0.735 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 57.25 9.3 0.68 Allowed 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 114.904 1.446 . . . . 0.0 114.904 177.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 103.93 -6.45 47.69 Favored Glycine 0 CA--C 1.525 0.696 0 C-N-CA 125.322 1.439 . . . . 0.0 111.163 -176.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 30.5 mtpt -75.09 138.22 41.95 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 119.724 1.762 . . . . 0.0 107.732 171.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -127.52 137.26 52.59 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 105.159 -2.163 . . . . 0.0 105.159 169.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 29.1 ttpt -84.26 138.89 32.7 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 177.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.1 mm? -125.55 118.78 26.49 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 124.758 1.223 . . . . 0.0 108.654 -169.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 43.6 tp -83.73 94.51 8.17 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 105.16 -2.163 . . . . 0.0 105.16 169.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -59.27 151.64 22.73 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 172.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -69.77 -19.21 63.52 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -170.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 44.3 p-10 -76.59 -3.22 36.51 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.821 1.249 . . . . 0.0 112.485 170.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 102.55 -2.53 49.62 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 125.941 1.734 . . . . 0.0 113.088 170.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -77.11 157.6 30.93 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 117.896 0.848 . . . . 0.0 109.622 -177.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -142.14 120.45 12.31 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 -176.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 64.3 m -146.93 168.07 22.38 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 125.325 1.45 . . . . 0.0 107.815 171.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -88.0 142.55 27.7 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 124.148 0.979 . . . . 0.0 109.251 176.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 90.5 t -141.59 137.17 32.09 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.253 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 -177.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.7 mt -75.57 151.14 37.92 Favored 'General case' 0 CA--C 1.513 -0.471 0 C-N-CA 122.945 0.498 . . . . 0.0 112.284 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -55.03 -39.34 68.77 Favored Glycine 0 CA--C 1.521 0.412 0 C-N-CA 124.326 0.965 . . . . 0.0 113.16 -177.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.29 -21.76 64.25 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.387 1.094 . . . . 0.0 112.466 177.32 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -100.64 21.05 14.0 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.744 1.617 . . . . 0.0 111.697 -175.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -132.53 137.02 55.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 -179.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 63.1 mt -117.88 114.36 23.12 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 127.682 2.393 . . . . 0.0 104.946 -176.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1534 ' ' LEU . . . . . 0.563 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -107.43 -2.06 20.88 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 116.637 2.088 . . . . 0.0 116.637 -169.387 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 24.5 p -135.11 54.07 1.95 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 106.488 -1.671 . . . . 0.0 106.488 -177.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 51.4 t0 -118.51 63.09 5.29 Favored Pre-proline 0 CA--C 1.54 0.567 0 N-CA-C 117.192 2.293 . . . . 0.0 117.192 -168.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -72.29 122.7 8.57 Favored 'Trans proline' 0 CA--C 1.546 1.102 1 N-CA-C 100.821 -4.338 . . . . 0.0 100.821 165.694 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1538 ' ' ILE . . . . . 0.445 HG21 HG11 ' A' 1544 ' ' VAL . 5.4 mm -60.18 122.1 64.17 Favored Pre-proline 0 CA--C 1.539 0.555 0 CA-C-N 119.509 1.049 . . . . 0.0 109.19 -168.332 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -63.53 143.83 88.72 Favored 'Trans proline' 0 N--CA 1.452 -0.956 0 C-N-CA 121.952 1.768 . . . . 0.0 110.625 178.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 3.4 mp -58.02 149.06 24.21 Favored 'General case' 0 C--O 1.233 0.211 0 O-C-N 121.638 -0.664 . . . . 0.0 109.544 169.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 4.9 t70 72.36 -2.93 2.44 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.944 2.098 . . . . 0.0 113.538 -176.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 25.0 m -69.48 134.93 49.5 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 169.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -75.48 137.31 40.83 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 107.332 -1.359 . . . . 0.0 107.332 170.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1544 ' ' VAL . . . . . 0.445 HG11 HG21 ' A' 1538 ' ' ILE . 0.9 OUTLIER -146.14 158.89 11.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 124.475 1.11 . . . . 0.0 109.709 -176.449 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 2.8 m -90.23 131.29 36.13 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 105.559 -2.015 . . . . 0.0 105.559 169.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -97.38 140.16 32.25 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 172.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.21 99.23 3.81 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.315 1.046 . . . . 0.0 109.889 -169.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 5.3 m -64.19 135.41 56.28 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 105.015 -2.217 . . . . 0.0 105.015 168.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -52.62 -36.66 56.9 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.174 0.59 . . . . 0.0 111.557 -169.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 26.6 t0 -79.95 60.75 3.63 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.232 1.413 . . . . 0.0 110.668 174.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 55.15 -14.48 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 120.084 3.365 . . . . 0.0 120.084 172.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -58.52 129.42 41.99 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 122.229 2.286 . . . . 0.0 110.144 -176.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 6.5 t80 -125.63 126.07 44.13 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 124.539 1.136 . . . . 0.0 109.783 -169.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 4.0 p -151.62 176.99 10.8 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.651 1.18 . . . . 0.0 109.22 169.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -133.84 158.16 44.1 Favored 'General case' 0 C--O 1.233 0.213 0 O-C-N 120.75 -1.219 . . . . 0.0 111.017 174.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -171.75 -158.23 15.37 Favored Glycine 0 CA--C 1.523 0.588 0 C-N-CA 125.998 1.761 . . . . 0.0 108.701 -171.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.1 t -133.82 143.8 37.55 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-N 118.562 1.181 . . . . 0.0 109.716 -174.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 64.0 t -65.74 127.78 27.49 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.284 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 171.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -131.76 12.89 4.87 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.083 0.953 . . . . 0.0 111.737 171.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -176.51 173.57 46.38 Favored Glycine 0 C--N 1.341 0.839 0 O-C-N 121.291 -0.88 . . . . 0.0 112.076 173.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 8.6 m80 -136.7 154.69 50.54 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 126.335 1.854 . . . . 0.0 110.26 -177.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 . . . . . 0 N--CA 1.461 0.086 0 N-CA-C 107.37 -1.344 . . . . 0.0 107.37 171.567 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 38.3 tp . . . . . 0 N--CA 1.448 -0.57 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -122.42 156.37 34.17 Favored 'General case' 0 CA--C 1.515 -0.378 0 C-N-CA 125.371 1.468 . . . . 0.0 109.274 -175.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1570 ' ' TYR . . . . . 0.401 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 72.3 m-85 -139.61 131.72 28.03 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 106.857 -1.535 . . . . 0.0 106.857 -174.098 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 43.9 t -84.36 103.79 13.83 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 102.798 -3.038 . . . . 0.0 102.798 168.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 26.9 mm -85.37 126.55 40.41 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 N-CA-C 105.471 -2.048 . . . . 0.0 105.471 172.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -83.05 115.5 21.89 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 102.568 -3.123 . . . . 0.0 102.568 168.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -142.84 135.51 27.82 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 105.406 -2.072 . . . . 0.0 105.406 -169.386 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 52.19 33.25 12.03 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.639 0.775 . . . . 0.0 111.321 -169.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 73.76 15.44 79.47 Favored Glycine 0 CA--C 1.53 0.97 0 CA-C-O 118.933 -0.926 . . . . 0.0 114.195 175.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -144.38 157.58 44.19 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 118.707 1.254 . . . . 0.0 110.277 -177.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -80.06 135.29 36.32 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.47 0.708 . . . . 0.0 109.463 -173.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -143.1 128.25 18.64 Favored 'General case' 0 N--CA 1.461 0.107 0 N-CA-C 106.872 -1.529 . . . . 0.0 106.872 -178.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 92.2 m95 -81.0 128.24 33.48 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.778 -0.576 . . . . 0.0 110.13 177.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -131.27 163.81 26.97 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.489 1.516 . . . . 0.0 107.005 169.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 62.9 pttt -111.52 166.87 10.77 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.274 1.03 . . . . 0.0 110.266 -177.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 23.7 ttp180 -41.69 -55.85 2.83 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 114.66 1.356 . . . . 0.0 114.66 -176.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 2.2 ppp? -71.7 -15.54 62.21 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 121.116 1.78 . . . . 0.0 113.847 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -93.15 -1.94 55.85 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.34 1.856 . . . . 0.0 111.068 172.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 75.7 t -120.09 91.02 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 N-CA-C 105.769 -1.938 . . . . 0.0 105.769 176.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 8.1 pt -107.93 165.68 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 -173.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 8.1 mt -115.2 118.48 33.43 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 106.69 -1.596 . . . . 0.0 106.69 -176.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1589 ' ' SER . . . . . 0.402 ' HA ' ' CG ' ' A' 1500 ' ' TYR . 3.3 m -58.17 145.27 37.67 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 106.416 -1.698 . . . . 0.0 106.416 169.164 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.6 pp -53.48 -35.36 60.49 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -169.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -68.1 -36.43 79.77 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.855 0.862 . . . . 0.0 110.582 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -70.78 -48.8 52.41 Favored 'General case' 0 C--O 1.224 -0.272 0 C-N-CA 124.859 1.264 . . . . 0.0 108.016 176.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -62.77 -29.27 73.44 Favored Glycine 0 C--N 1.339 0.696 0 C-N-CA 124.218 0.913 . . . . 0.0 112.364 -177.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -56.87 -39.22 73.93 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 118.608 1.204 . . . . 0.0 112.279 174.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -60.93 -20.54 62.33 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 118.484 0.584 . . . . 0.0 111.656 178.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 7.0 mp -98.34 -26.25 14.56 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.623 1.169 . . . . 0.0 110.809 177.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 66.4 ttp85 -56.72 -39.6 74.2 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 119.573 1.079 . . . . 0.0 111.3 -176.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -60.04 -19.71 54.17 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 118.074 -0.965 . . . . 0.0 113.318 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -114.86 -48.47 2.84 Favored 'General case' 0 C--N 1.347 0.487 0 CA-C-N 119.925 1.238 . . . . 0.0 112.428 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 9.4 m-30 -91.51 -9.36 44.71 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.34 1.056 . . . . 0.0 112.283 -170.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -55.97 130.81 49.51 Favored Glycine 0 CA--C 1.526 0.726 0 C-N-CA 125.421 1.486 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1602 ' ' LEU . . . . . 0.563 HD22 HD23 ' A' 1534 ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.342 0.248 0 CA-C-N 118.264 1.032 . . . . 0.0 109.227 174.004 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 84.6 m-85 . . . . . 0 N--CA 1.466 0.339 0 N-CA-C 114.452 1.278 . . . . 0.0 114.452 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 6.6 t -59.51 115.8 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 C-N-CA 125.496 1.518 . . . . 0.0 108.613 -173.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 114.55 -23.73 11.88 Favored Glycine 0 CA--C 1.529 0.936 0 C-N-CA 125.372 1.463 . . . . 0.0 112.219 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 8.6 mp -74.58 137.86 42.63 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 118.747 1.274 . . . . 0.0 110.972 -172.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 43.2 mtp180 -77.17 128.86 35.15 Favored 'General case' 0 N--CA 1.463 0.205 0 N-CA-C 105.955 -1.868 . . . . 0.0 105.955 168.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 22.2 m -146.31 -175.41 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 C-N-CA 125.786 1.635 . . . . 0.0 107.463 -174.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 3.9 t -120.68 143.7 31.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 104.648 -2.353 . . . . 0.0 104.648 169.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -144.39 153.26 41.75 Favored 'General case' 0 CA--C 1.513 -0.453 0 O-C-N 121.189 -0.945 . . . . 0.0 108.803 -170.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 72.1 tttt -81.8 127.66 33.2 Favored 'General case' 0 CA--C 1.507 -0.673 0 N-CA-C 106.419 -1.697 . . . . 0.0 106.419 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 27.4 t-105 . . . . . 0 N--CA 1.45 -0.469 0 N-CA-C 106.792 -1.559 . . . . 0.0 106.792 169.601 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 13.3 m-30 . . . . . 0 C--O 1.234 0.271 0 CA-C-O 121.301 0.572 . . . . 0.0 110.816 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -85.85 108.43 18.13 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 173.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -99.46 150.96 21.65 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.796 1.238 . . . . 0.0 107.711 178.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 7.8 m -72.02 147.19 47.1 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.354 0.661 . . . . 0.0 110.273 177.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -171.82 -174.46 39.37 Favored Glycine 0 C--N 1.336 0.546 0 O-C-N 121.687 -0.633 . . . . 0.0 112.23 -176.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 41.1 mtmt -130.84 130.83 44.12 Favored 'General case' 0 CA--C 1.516 -0.341 0 C-N-CA 126.129 1.772 . . . . 0.0 106.947 -173.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 18.8 mt -73.34 130.62 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 66.3 p -104.8 -37.19 7.13 Favored 'General case' 0 CA--C 1.517 -0.289 0 C-N-CA 122.995 0.518 . . . . 0.0 111.036 -171.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -169.0 141.07 2.59 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 123.949 0.9 . . . . 0.0 111.431 177.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 8.1 t70 -68.26 102.82 1.45 Allowed 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.041 1.336 . . . . 0.0 107.887 168.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.5 t -64.66 -50.1 77.26 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 C-N-CA 123.619 0.768 . . . . 0.0 108.935 -177.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 146.62 163.89 10.69 Favored Glycine 0 C--N 1.338 0.667 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 58.87 8.79 1.02 Allowed 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 177.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 103.09 -7.37 52.22 Favored Glycine 0 CA--C 1.525 0.675 0 C-N-CA 124.716 1.151 . . . . 0.0 111.471 -173.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -74.66 137.69 42.36 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-N 120.576 2.188 . . . . 0.0 107.674 169.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -126.42 139.05 53.56 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 104.805 -2.294 . . . . 0.0 104.805 169.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -84.24 140.46 31.66 Favored 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 107.559 -1.274 . . . . 0.0 107.559 175.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . 0.482 HD21 HD13 ' A' 1532 ' ' ILE . 3.0 mm? -125.72 119.38 27.83 Favored 'General case' 0 CA--C 1.51 -0.587 0 N-CA-C 107.956 -1.128 . . . . 0.0 107.956 -169.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 42.8 tp -83.74 94.23 8.11 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 104.538 -2.393 . . . . 0.0 104.538 169.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -56.73 150.17 16.54 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 172.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -67.01 -16.84 64.62 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -170.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 24.6 p-10 -85.55 2.93 42.83 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.733 1.613 . . . . 0.0 112.721 172.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 101.57 -3.61 53.66 Favored Glycine 0 CA--C 1.53 1.0 0 C-N-CA 125.183 1.373 . . . . 0.0 114.217 169.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -79.68 155.41 28.05 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 118.347 1.074 . . . . 0.0 109.413 -176.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -141.44 117.47 10.57 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 -175.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 83.2 m -143.69 164.79 29.46 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.411 1.484 . . . . 0.0 108.058 175.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -83.45 142.08 31.22 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 123.87 0.868 . . . . 0.0 108.783 174.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 88.5 t -141.06 134.72 31.91 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.311 0 N-CA-C 107.113 -1.44 . . . . 0.0 107.113 178.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.5 mt -70.54 148.0 48.69 Favored 'General case' 0 C--O 1.22 -0.461 0 O-C-N 121.782 -0.574 . . . . 0.0 110.619 176.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -54.19 -33.85 52.51 Favored Glycine 0 C--N 1.335 0.51 0 C-N-CA 124.189 0.899 . . . . 0.0 112.992 176.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.76 -24.59 23.19 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.082 0.553 . . . . 0.0 112.142 173.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -113.97 22.31 14.04 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.21 1.804 . . . . 0.0 111.242 -170.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1532 ' ' ILE . . . . . 0.482 HD13 HD21 ' A' 1517 ' ' LEU . 1.7 mt -127.01 133.91 67.33 Favored 'Isoleucine or valine' 0 C--N 1.343 0.294 0 N-CA-C 106.693 -1.595 . . . . 0.0 106.693 177.031 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 58.7 mt -112.69 110.45 20.6 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 128.682 2.793 . . . . 0.0 104.69 -176.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1534 ' ' LEU . . . . . 0.578 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -108.0 -4.3 17.97 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 116.392 1.997 . . . . 0.0 116.392 -169.045 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 19.7 p -131.01 53.16 2.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 105.59 -2.004 . . . . 0.0 105.59 -177.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 53.7 t0 -118.55 62.78 5.22 Favored Pre-proline 0 C--O 1.237 0.406 0 N-CA-C 116.848 2.166 . . . . 0.0 116.848 -168.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -74.38 122.86 7.77 Favored 'Trans proline' 0 CA--C 1.55 1.282 1 N-CA-C 100.346 -4.521 . . . . 0.0 100.346 165.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1538 ' ' ILE . . . . . 0.413 HG21 HG11 ' A' 1544 ' ' VAL . 8.6 mm -60.42 122.86 70.54 Favored Pre-proline 0 CA--C 1.543 0.683 0 CA-C-N 119.863 1.211 . . . . 0.0 109.595 -168.115 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -62.55 143.76 93.38 Favored 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 121.942 1.761 . . . . 0.0 110.438 177.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 3.8 mp -58.1 148.9 25.04 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 170.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 4.9 t70 71.65 -2.14 2.56 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.848 2.059 . . . . 0.0 113.892 -175.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 25.7 m -69.48 135.96 50.85 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 169.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -82.14 136.77 35.1 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 171.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1544 ' ' VAL . . . . . 0.413 HG11 HG21 ' A' 1538 ' ' ILE . 1.6 m -146.55 162.36 9.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 C-N-CA 125.102 1.361 . . . . 0.0 109.094 -170.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 9.0 m -90.1 137.83 32.02 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 104.973 -2.232 . . . . 0.0 104.973 169.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -116.56 142.23 47.16 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 125.558 1.543 . . . . 0.0 107.881 177.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1547 ' ' LEU . . . . . 0.464 ' O ' ' HB1' ' A' 1585 ' ' ALA . 0.3 OUTLIER -139.26 128.57 24.11 Favored 'General case' 0 CA--C 1.511 -0.523 0 C-N-CA 124.166 0.986 . . . . 0.0 109.541 -169.339 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 52.7 m -68.4 169.42 10.75 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 106.774 -1.565 . . . . 0.0 106.774 167.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -71.58 12.73 0.32 Allowed 'General case' 0 CA--C 1.552 1.034 0 O-C-N 120.336 -1.477 . . . . 0.0 112.27 176.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 29.1 t0 -144.09 167.53 22.17 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 128.573 2.749 . . . . 0.0 105.747 169.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -52.48 8.44 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 121.06 3.726 . . . . 0.0 121.06 -168.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -67.89 120.4 14.12 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 106.726 -1.583 . . . . 0.0 106.726 169.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -136.08 132.31 35.96 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 124.721 1.208 . . . . 0.0 109.026 -169.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 7.2 p -151.88 178.47 9.37 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.325 1.45 . . . . 0.0 109.911 174.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -128.87 155.34 45.39 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 119.465 1.03 . . . . 0.0 110.532 170.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.92 -162.92 24.1 Favored Glycine 0 CA--C 1.53 0.988 0 C-N-CA 126.605 2.05 . . . . 0.0 108.707 -170.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.4 t -129.92 142.63 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 CA-C-N 119.235 1.517 . . . . 0.0 110.099 -172.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 82.1 t -65.08 127.3 25.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 171.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 68.1 mmtt -128.67 11.92 6.27 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 119.149 0.886 . . . . 0.0 111.634 170.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -178.62 179.71 48.66 Favored Glycine 0 CA--C 1.523 0.572 0 CA-C-N 118.798 0.726 . . . . 0.0 112.188 173.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 9.3 m80 -140.83 154.28 46.14 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 126.889 2.076 . . . . 0.0 110.86 -173.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 . . . . . 0 N--CA 1.462 0.128 0 C-N-CA 125.438 1.495 . . . . 0.0 107.48 170.279 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 38.0 tp . . . . . 0 N--CA 1.446 -0.671 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -124.48 155.58 38.69 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 125.171 1.388 . . . . 0.0 108.662 -174.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1570 ' ' TYR . . . . . 0.412 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 67.8 m-85 -138.81 127.35 23.19 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 106.013 -1.847 . . . . 0.0 106.013 -175.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.1 p -84.18 96.19 8.88 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 104.694 -2.335 . . . . 0.0 104.694 169.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 38.4 mm -78.05 134.51 28.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 105.951 -1.87 . . . . 0.0 105.951 177.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -93.88 120.01 33.57 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 105.116 -2.179 . . . . 0.0 105.116 169.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -145.23 135.89 24.4 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 105.175 -2.157 . . . . 0.0 105.175 -170.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 51.74 33.57 11.36 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.89 0.876 . . . . 0.0 111.963 -170.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 70.42 18.85 75.66 Favored Glycine 0 CA--C 1.532 1.106 0 O-C-N 121.581 -0.699 . . . . 0.0 113.82 175.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -142.27 158.01 44.19 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.764 1.225 . . . . 0.0 108.597 179.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 85.4 mtm-85 -101.04 142.33 32.66 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 118.814 0.734 . . . . 0.0 110.124 -169.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -146.25 132.52 19.5 Favored 'General case' 0 N--CA 1.461 0.076 0 N-CA-C 106.732 -1.581 . . . . 0.0 106.732 -169.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 89.4 m95 -80.79 130.84 35.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 118.738 0.699 . . . . 0.0 109.919 177.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -131.77 162.5 30.36 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 169.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -106.89 165.56 11.24 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.658 1.183 . . . . 0.0 110.119 -175.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 49.4 ttt180 -53.7 -42.22 67.78 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 120.657 1.572 . . . . 0.0 113.273 -174.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 1.4 ppp? -70.83 -21.27 62.47 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 121.005 1.73 . . . . 0.0 112.778 177.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1585 ' ' ALA . . . . . 0.464 ' HB1' ' O ' ' A' 1547 ' ' LEU . . . -88.64 -8.31 54.84 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 124.763 1.225 . . . . 0.0 111.619 176.034 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 82.2 t -116.39 93.03 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 N-CA-C 105.803 -1.925 . . . . 0.0 105.803 -177.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 10.0 pt -110.9 164.03 7.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 -172.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 5.0 mt -110.29 116.81 32.13 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 -176.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.73 148.24 10.26 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 169.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.5 pp -56.88 -33.64 67.07 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 -168.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -69.71 -36.02 75.55 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.339 -0.851 . . . . 0.0 109.754 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -67.29 -52.62 38.36 Favored 'General case' 0 C--N 1.34 0.187 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 176.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -63.27 -28.08 71.69 Favored Glycine 0 C--N 1.34 0.779 0 CA-C-O 119.409 -0.662 . . . . 0.0 111.943 -174.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -57.38 -43.27 83.46 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 118.882 1.341 . . . . 0.0 111.694 173.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 29.2 mtt85 -61.59 -17.33 54.69 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 178.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.0 mp -99.62 -27.25 13.77 Favored 'General case' 0 C--N 1.34 0.187 0 C-N-CA 124.394 1.078 . . . . 0.0 110.554 176.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 65.9 ttp85 -57.99 -38.31 75.87 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 119.404 1.002 . . . . 0.0 111.349 -177.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -58.26 -22.22 51.58 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 118.055 -0.974 . . . . 0.0 113.196 178.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -115.02 -48.16 2.84 Favored 'General case' 0 C--N 1.347 0.458 0 CA-C-N 120.09 1.314 . . . . 0.0 112.067 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.0 m-30 -91.59 -10.51 40.26 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 124.613 1.165 . . . . 0.0 112.072 -170.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -52.59 130.89 39.21 Favored Glycine 0 CA--C 1.527 0.84 0 C-N-CA 125.394 1.473 . . . . 0.0 110.648 175.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1602 ' ' LEU . . . . . 0.578 HD22 HD23 ' A' 1534 ' ' LEU . 0.8 OUTLIER . . . . . 0 C--O 1.233 0.202 0 CA-C-N 118.73 1.265 . . . . 0.0 109.087 174.48 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 94.4 m-85 . . . . . 0 N--CA 1.468 0.455 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 4.0 t -57.27 114.91 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 C-N-CA 125.154 1.382 . . . . 0.0 108.969 -175.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 114.04 -20.48 16.84 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 125.18 1.372 . . . . 0.0 112.486 178.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 9.4 mp -74.4 137.84 42.96 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 118.845 1.323 . . . . 0.0 110.376 -174.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 91.4 mtm-85 -76.52 126.8 31.62 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 106.457 -1.682 . . . . 0.0 106.457 168.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 17.1 m -146.67 -177.72 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 -173.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 7.6 t -117.89 151.64 19.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 105.25 -2.13 . . . . 0.0 105.25 169.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -150.39 152.78 34.87 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 121.188 -0.945 . . . . 0.0 109.35 -172.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 77.1 tttt -83.11 127.52 33.67 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 178.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 10.9 t-105 . . . . . 0 N--CA 1.448 -0.568 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 169.106 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 10.1 m-30 . . . . . 0 C--O 1.236 0.369 0 CA-C-O 121.624 0.726 . . . . 0.0 110.101 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 1.8 m-30 -99.0 110.55 23.15 Favored 'General case' 0 N--CA 1.443 -0.784 0 N-CA-C 105.659 -1.978 . . . . 0.0 105.659 -175.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -104.7 155.36 18.94 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.09 1.356 . . . . 0.0 108.063 -174.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 5.1 m -70.13 150.15 46.83 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.708 0.803 . . . . 0.0 110.598 176.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -168.7 -174.47 37.38 Favored Glycine 0 C--N 1.336 0.55 0 N-CA-C 111.343 -0.703 . . . . 0.0 111.343 173.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.36 142.75 51.32 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 171.485 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 16.4 mt -73.54 132.2 33.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 106.217 -1.772 . . . . 0.0 106.217 179.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 79.0 p -107.71 -36.88 6.3 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 117.99 0.359 . . . . 0.0 110.607 -169.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -165.92 142.02 5.07 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.947 0.899 . . . . 0.0 110.997 175.153 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 6.9 t70 -69.04 102.17 1.56 Allowed 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 125.571 1.549 . . . . 0.0 107.579 169.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.4 t -64.63 -49.81 78.65 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 -176.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 144.39 168.48 12.57 Favored Glycine 0 C--N 1.334 0.469 0 N-CA-C 109.587 -1.405 . . . . 0.0 109.587 173.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 60.76 4.83 0.82 Allowed 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 114.787 1.402 . . . . 0.0 114.787 178.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 109.16 -9.33 33.53 Favored Glycine 0 CA--C 1.526 0.73 0 C-N-CA 124.762 1.172 . . . . 0.0 111.109 -173.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -74.93 137.99 42.04 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 120.276 2.038 . . . . 0.0 108.336 170.021 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -128.98 136.68 50.67 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 104.784 -2.302 . . . . 0.0 104.784 169.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 29.6 ttpt -83.75 141.56 31.34 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 177.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.1 mm? -125.21 119.83 29.6 Favored 'General case' 0 CA--C 1.508 -0.646 0 C-N-CA 124.641 1.176 . . . . 0.0 108.336 -170.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 29.3 tp -83.66 94.96 8.22 Favored 'General case' 0 CA--C 1.51 -0.58 0 N-CA-C 104.185 -2.524 . . . . 0.0 104.185 169.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -58.17 142.92 45.88 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 171.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -62.25 -23.01 66.43 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 122.661 0.384 . . . . 0.0 111.231 178.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 29.8 t70 -61.79 -20.2 63.34 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.365 1.466 . . . . 0.0 112.72 173.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 116.65 -2.01 20.06 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 126.167 1.841 . . . . 0.0 112.966 170.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -92.28 159.82 15.43 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 124.871 1.268 . . . . 0.0 110.167 -171.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -139.65 117.11 11.37 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 -177.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 51.0 m -144.6 159.24 43.12 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 124.721 1.208 . . . . 0.0 108.45 177.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -73.76 143.92 45.86 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 171.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 98.8 t -139.92 141.03 34.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 N-CA-C 106.494 -1.669 . . . . 0.0 106.494 171.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 5.4 mt -77.65 149.81 34.65 Favored 'General case' 0 CA--C 1.51 -0.596 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.811 177.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -52.45 -40.29 53.91 Favored Glycine 0 C--N 1.335 0.508 0 C-N-CA 124.814 1.197 . . . . 0.0 112.686 -176.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.67 -31.01 64.01 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 117.801 0.8 . . . . 0.0 112.001 177.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -100.45 23.82 9.74 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.525 1.53 . . . . 0.0 112.841 -172.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -126.5 131.05 71.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 104.809 -2.293 . . . . 0.0 104.809 177.461 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 52.3 mt -112.95 110.76 21.05 Favored 'General case' 0 CA--C 1.522 -0.116 0 N-CA-C 104.696 -2.335 . . . . 0.0 104.696 -174.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1534 ' ' LEU . . . . . 0.561 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -106.71 -3.18 20.82 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -168.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 23.3 p -131.83 53.33 2.0 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 105.818 -1.919 . . . . 0.0 105.818 -177.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 50.9 t0 -118.45 57.58 3.04 Favored Pre-proline 0 CA--C 1.542 0.649 0 N-CA-C 117.032 2.234 . . . . 0.0 117.032 -168.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -70.34 121.97 8.51 Favored 'Trans proline' 0 CA--C 1.544 0.98 1 N-CA-C 99.939 -4.677 . . . . 0.0 99.939 165.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1538 ' ' ILE . . . . . 0.545 HG21 HG11 ' A' 1544 ' ' VAL . 5.1 mm -59.34 121.26 55.05 Favored Pre-proline 0 N--CA 1.468 0.429 0 CA-C-N 119.523 1.056 . . . . 0.0 109.031 -168.041 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -61.84 144.78 97.13 Favored 'Trans proline' 0 N--CA 1.452 -0.953 0 C-N-CA 121.948 1.766 . . . . 0.0 110.592 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1540 ' ' LEU . . . . . 0.481 ' H ' HD12 ' A' 1540 ' ' LEU . 4.0 mp -59.89 147.84 37.04 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 169.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 23.2 t70 74.2 -4.6 2.26 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 127.002 2.121 . . . . 0.0 113.551 -175.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 20.2 m -68.23 135.07 51.42 Favored 'General case' 0 C--O 1.239 0.526 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 169.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -83.14 135.48 34.79 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 171.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1544 ' ' VAL . . . . . 0.545 HG11 HG21 ' A' 1538 ' ' ILE . 2.4 m -147.67 163.59 6.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 C-N-CA 124.506 1.122 . . . . 0.0 109.207 -171.223 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 7.8 m -87.84 139.94 30.01 Favored 'General case' 0 N--CA 1.442 -0.847 0 N-CA-C 105.406 -2.072 . . . . 0.0 105.406 169.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -108.05 136.79 47.15 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 106.486 -1.672 . . . . 0.0 106.486 171.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -137.45 100.36 4.21 Favored 'General case' 0 CA--C 1.516 -0.346 0 C-N-CA 123.455 0.702 . . . . 0.0 109.824 -169.479 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 13.5 m -61.18 121.95 13.82 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 104.248 -2.501 . . . . 0.0 104.248 168.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -44.68 -30.2 0.89 Allowed 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 126.09 1.756 . . . . 0.0 115.546 -168.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 28.4 t70 -68.63 -48.13 64.87 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 118.592 0.633 . . . . 0.0 111.569 -179.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -179.92 -25.82 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 173.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -54.93 121.26 8.27 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 119.168 0.894 . . . . 0.0 111.426 -168.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 10.6 t80 -116.25 129.34 56.23 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 124.828 1.251 . . . . 0.0 110.956 -168.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 2.8 p -151.97 177.62 10.27 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.191 1.396 . . . . 0.0 109.747 170.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -135.76 157.03 47.87 Favored 'General case' 0 N--CA 1.466 0.347 0 O-C-N 120.838 -1.164 . . . . 0.0 111.048 172.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.65 -160.95 20.38 Favored Glycine 0 CA--C 1.528 0.885 0 C-N-CA 126.628 2.061 . . . . 0.0 108.773 -171.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.9 t -130.12 142.04 44.81 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-N 118.633 1.217 . . . . 0.0 109.591 -173.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 90.4 t -65.85 126.12 24.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 171.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 82.3 mttt -130.44 18.87 5.29 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.458 1.026 . . . . 0.0 111.628 169.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 178.39 179.38 48.29 Favored Glycine 0 C--N 1.337 0.628 0 O-C-N 121.774 -0.579 . . . . 0.0 111.978 171.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 9.9 m80 -142.84 155.96 44.87 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 126.181 1.792 . . . . 0.0 110.992 -171.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 50.3 ttt180 . . . . . 0 N--CA 1.462 0.127 0 C-N-CA 125.309 1.444 . . . . 0.0 107.41 170.676 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 44.7 tp . . . . . 0 N--CA 1.45 -0.429 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -127.69 158.07 38.59 Favored 'General case' 0 CA--C 1.516 -0.362 0 C-N-CA 125.247 1.419 . . . . 0.0 109.587 -173.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1570 ' ' TYR . . . . . 0.441 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 40.0 m-85 -141.78 129.09 21.12 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 106.63 -1.618 . . . . 0.0 106.63 -172.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.2 p -86.6 98.27 11.0 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 104.921 -2.252 . . . . 0.0 104.921 169.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 41.6 mm -79.98 127.99 38.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 N-CA-C 106.46 -1.681 . . . . 0.0 106.46 178.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -84.85 125.13 32.35 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 104.055 -2.572 . . . . 0.0 104.055 168.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 30.8 ttpt -144.74 135.07 24.3 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 105.015 -2.217 . . . . 0.0 105.015 -173.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 53.7 27.26 6.68 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.528 0.731 . . . . 0.0 112.467 -175.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 76.26 17.77 79.75 Favored Glycine 0 CA--C 1.532 1.108 0 O-C-N 121.603 -0.685 . . . . 0.0 113.42 176.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -140.71 162.23 35.89 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 124.755 1.222 . . . . 0.0 108.339 176.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -101.78 143.57 31.53 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 119.363 0.983 . . . . 0.0 109.917 -170.246 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -144.45 131.7 20.69 Favored 'General case' 0 C--N 1.334 -0.069 0 N-CA-C 106.244 -1.762 . . . . 0.0 106.244 -173.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 90.6 m95 -80.8 130.56 35.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 118.81 0.732 . . . . 0.0 109.91 176.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -133.1 159.5 39.92 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.743 1.217 . . . . 0.0 107.905 169.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 17.0 ptmt -101.36 164.41 11.79 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.647 1.179 . . . . 0.0 109.859 -176.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 61.3 ttp85 -42.3 -55.46 3.34 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.651 1.18 . . . . 0.0 113.632 179.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -71.1 -12.13 61.33 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 121.095 1.771 . . . . 0.0 114.374 -178.4 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -90.25 -16.29 29.65 Favored 'General case' 0 C--O 1.223 -0.292 0 C-N-CA 124.567 1.147 . . . . 0.0 110.757 171.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 62.0 t -109.15 91.04 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.656 0 N-CA-C 104.658 -2.349 . . . . 0.0 104.658 -176.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 6.5 pt -118.06 156.49 19.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 114.484 -1.235 . . . . 0.0 107.757 -169.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 3.4 mt -105.57 118.19 35.94 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 -170.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.33 145.61 21.6 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 106.33 -1.73 . . . . 0.0 106.33 169.533 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.7 pp -54.33 -35.39 62.64 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.568 1.076 . . . . 0.0 113.352 -169.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 30.3 tp10 -67.73 -39.23 84.28 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 121.682 -0.636 . . . . 0.0 110.183 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -63.19 -51.98 64.13 Favored 'General case' 0 C--O 1.225 -0.236 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 174.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -59.39 -33.43 76.03 Favored Glycine 0 C--N 1.338 0.675 0 C-N-CA 124.185 0.898 . . . . 0.0 112.243 -175.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -57.72 -45.52 85.65 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 118.436 1.118 . . . . 0.0 111.196 176.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 18.7 mtt-85 -62.36 -19.39 63.32 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.065 0.546 . . . . 0.0 112.324 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.1 mp -94.26 -29.66 14.95 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.04 0.936 . . . . 0.0 110.398 173.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -56.4 -38.77 71.96 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.713 1.205 . . . . 0.0 112.049 -175.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -59.23 -21.18 59.15 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 118.189 -0.91 . . . . 0.0 113.382 177.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -114.36 -48.03 2.9 Favored 'General case' 0 C--N 1.347 0.491 0 CA-C-N 119.987 1.267 . . . . 0.0 112.046 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 9.1 m-30 -90.78 -11.07 40.58 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 124.421 1.088 . . . . 0.0 112.358 -170.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -53.57 131.51 43.13 Favored Glycine 0 CA--C 1.529 0.933 0 C-N-CA 125.396 1.474 . . . . 0.0 110.378 176.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1602 ' ' LEU . . . . . 0.561 HD22 HD23 ' A' 1534 ' ' LEU . 1.0 OUTLIER . . . . . 0 C--O 1.235 0.341 0 CA-C-N 118.187 0.993 . . . . 0.0 109.679 174.428 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 95.0 m-85 . . . . . 0 N--CA 1.467 0.416 0 N-CA-C 114.074 1.139 . . . . 0.0 114.074 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 6.4 t -57.04 114.51 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.556 0 C-N-CA 125.679 1.592 . . . . 0.0 108.806 -176.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 115.18 -22.5 12.2 Favored Glycine 0 CA--C 1.531 1.092 0 C-N-CA 125.127 1.346 . . . . 0.0 112.826 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 9.1 mp -74.23 140.48 45.08 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.749 1.274 . . . . 0.0 111.022 -174.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 54.4 mtp180 -81.65 126.71 32.09 Favored 'General case' 0 C--O 1.23 0.048 0 N-CA-C 105.801 -1.926 . . . . 0.0 105.801 168.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 15.9 m -143.77 -175.18 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 C-N-CA 125.139 1.376 . . . . 0.0 107.96 -173.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.7 t -121.41 145.75 27.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 105.661 -1.977 . . . . 0.0 105.661 170.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -147.4 152.42 38.13 Favored 'General case' 0 CA--C 1.519 -0.247 0 C-N-CA 124.18 0.992 . . . . 0.0 109.692 -169.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 78.0 tttt -83.81 130.38 34.93 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 107.618 -1.252 . . . . 0.0 107.618 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 20.8 t-105 . . . . . 0 CA--C 1.539 0.525 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 169.633 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 10.1 m-30 . . . . . 0 N--CA 1.452 -0.354 0 CA-C-O 121.926 0.869 . . . . 0.0 109.923 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -94.49 107.98 19.94 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 105.225 -2.139 . . . . 0.0 105.225 -177.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -97.65 149.23 22.49 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -176.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 4.3 m -69.85 148.55 48.93 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.441 0.696 . . . . 0.0 109.772 175.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -173.16 -174.64 40.38 Favored Glycine 0 C--N 1.334 0.441 0 O-C-N 121.477 -0.764 . . . . 0.0 112.165 -177.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -129.92 129.22 43.59 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 125.919 1.687 . . . . 0.0 107.085 -172.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 23.3 mt -73.21 130.81 35.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 106.795 -1.558 . . . . 0.0 106.795 179.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 58.6 p -107.43 -35.78 6.67 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 123.231 0.613 . . . . 0.0 110.727 -170.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -167.81 141.47 3.41 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.744 0.818 . . . . 0.0 111.298 175.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 6.8 t0 -68.93 102.94 1.69 Allowed 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 124.994 1.318 . . . . 0.0 107.712 168.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.6 t -65.59 -50.84 69.24 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 -175.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 149.5 163.19 10.87 Favored Glycine 0 C--N 1.34 0.764 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 178.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.74 10.7 0.77 Allowed 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 115.205 1.558 . . . . 0.0 115.205 177.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 104.06 -5.92 46.6 Favored Glycine 0 C--N 1.337 0.621 0 C-N-CA 124.831 1.205 . . . . 0.0 111.53 -176.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 10.8 mtpp -74.94 135.31 41.41 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 120.36 2.08 . . . . 0.0 106.816 170.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -126.24 136.85 53.3 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 105.09 -2.189 . . . . 0.0 105.09 169.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -83.04 137.93 33.93 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 177.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.2 mm? -124.51 118.41 26.53 Favored 'General case' 0 CA--C 1.511 -0.543 0 C-N-CA 125.167 1.387 . . . . 0.0 108.387 -169.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 31.2 tp -83.79 93.45 7.97 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 104.353 -2.462 . . . . 0.0 104.353 168.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -56.14 146.91 21.72 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 172.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -66.86 -20.75 65.98 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.624 -171.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 36.3 p-10 -78.84 2.74 18.97 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.806 1.243 . . . . 0.0 113.29 171.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 105.34 -5.99 41.88 Favored Glycine 0 CA--C 1.532 1.108 0 C-N-CA 125.442 1.496 . . . . 0.0 114.992 169.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -85.11 157.06 20.79 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 118.326 1.063 . . . . 0.0 110.215 -172.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -139.07 117.66 12.17 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 -174.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 62.1 m -143.6 161.38 38.66 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 125.16 1.384 . . . . 0.0 108.141 176.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -85.0 142.24 29.75 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 171.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 80.4 t -142.19 137.7 29.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 N-CA-C 107.486 -1.301 . . . . 0.0 107.486 -178.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.7 mt -74.25 152.66 39.66 Favored 'General case' 0 C--O 1.22 -0.471 0 C-N-CA 123.16 0.584 . . . . 0.0 111.954 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -57.73 -38.07 86.54 Favored Glycine 0 C--N 1.335 0.501 0 C-N-CA 124.317 0.96 . . . . 0.0 112.629 -176.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -20.12 58.48 Favored 'General case' 0 C--O 1.223 -0.332 0 O-C-N 121.884 -0.774 . . . . 0.0 112.451 175.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -104.9 21.5 16.9 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.411 1.484 . . . . 0.0 111.892 -175.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -132.59 137.24 54.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 N-CA-C 106.308 -1.738 . . . . 0.0 106.308 -179.187 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 54.9 mt -117.2 114.99 24.45 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 127.313 2.245 . . . . 0.0 105.154 -176.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1534 ' ' LEU . . . . . 0.555 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -110.55 -4.64 15.38 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 116.475 2.028 . . . . 0.0 116.475 -169.101 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 24.5 p -131.57 52.18 2.09 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 106.185 -1.783 . . . . 0.0 106.185 -177.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 52.6 t0 -115.78 65.01 2.42 Favored Pre-proline 0 CA--C 1.537 0.45 0 N-CA-C 116.609 2.077 . . . . 0.0 116.609 -168.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -72.46 119.19 5.97 Favored 'Trans proline' 0 CA--C 1.547 1.146 1 N-CA-C 101.015 -4.263 . . . . 0.0 101.015 166.02 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1538 ' ' ILE . . . . . 0.478 HG21 HG11 ' A' 1544 ' ' VAL . 9.9 mm -58.62 120.15 42.78 Favored Pre-proline 0 CA--C 1.538 0.491 0 CA-C-O 118.211 -0.899 . . . . 0.0 108.898 -168.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -61.9 144.09 96.25 Favored 'Trans proline' 0 N--CA 1.451 -1.006 0 C-N-CA 121.892 1.728 . . . . 0.0 110.393 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1540 ' ' LEU . . . . . 0.411 ' H ' HD12 ' A' 1540 ' ' LEU . 4.0 mp -59.65 148.15 34.82 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 169.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 18.5 t70 74.14 -3.6 2.49 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.723 2.009 . . . . 0.0 113.686 -175.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 20.5 m -70.79 134.61 47.54 Favored 'General case' 0 C--O 1.239 0.501 0 O-C-N 120.931 -1.106 . . . . 0.0 108.191 170.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -77.15 136.23 38.59 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 169.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1544 ' ' VAL . . . . . 0.478 HG11 HG21 ' A' 1538 ' ' ILE . 1.6 m -147.79 163.65 6.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 124.551 1.141 . . . . 0.0 109.799 -175.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 8.7 m -88.69 143.88 26.64 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 105.984 -1.858 . . . . 0.0 105.984 169.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -119.08 140.67 49.7 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 125.609 1.563 . . . . 0.0 107.317 175.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -139.0 117.12 11.76 Favored 'General case' 0 CA--C 1.517 -0.326 0 C-N-CA 123.786 0.834 . . . . 0.0 110.098 -169.524 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 20.1 m -65.19 150.92 47.35 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 168.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -67.92 15.32 0.05 OUTLIER 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 126.316 1.847 . . . . 0.0 114.798 -169.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 36.0 t70 -123.49 -57.47 1.66 Allowed 'General case' 0 CA--C 1.532 0.277 0 O-C-N 121.114 -0.991 . . . . 0.0 111.094 178.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -167.17 -21.51 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 114.968 1.47 . . . . 0.0 114.968 169.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -55.84 122.71 12.12 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 118.755 0.707 . . . . 0.0 110.058 -170.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 1.4 t80 -121.14 131.98 54.58 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 125.334 1.454 . . . . 0.0 109.964 -168.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 2.2 p -152.09 177.89 10.03 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.692 1.597 . . . . 0.0 109.026 173.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -134.95 157.15 47.65 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 120.941 -1.099 . . . . 0.0 111.054 173.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.09 -160.11 17.61 Favored Glycine 0 CA--C 1.528 0.886 0 C-N-CA 126.686 2.088 . . . . 0.0 108.925 -172.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.9 t -130.95 143.58 40.42 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-N 118.481 1.14 . . . . 0.0 109.802 -174.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 58.0 t -66.3 127.01 26.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 174.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -132.71 20.43 4.23 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 119.132 0.878 . . . . 0.0 111.79 173.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 172.98 179.58 43.76 Favored Glycine 0 C--N 1.332 0.339 0 N-CA-C 111.044 -0.823 . . . . 0.0 111.044 169.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 9.8 m80 -141.55 155.09 45.8 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 126.262 1.825 . . . . 0.0 111.147 -174.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 46.0 ttt180 . . . . . 0 N--CA 1.46 0.072 0 C-N-CA 125.7 1.6 . . . . 0.0 107.167 171.761 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 36.6 tp . . . . . 0 N--CA 1.448 -0.533 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -127.76 157.42 40.42 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 125.327 1.451 . . . . 0.0 109.386 -173.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -142.57 125.69 16.36 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 105.203 -2.147 . . . . 0.0 105.203 -170.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.1 p -85.88 92.18 8.57 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 105.459 -2.052 . . . . 0.0 105.459 170.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 43.0 mm -74.57 129.14 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -82.85 122.21 27.94 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 103.715 -2.698 . . . . 0.0 103.715 168.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -144.28 137.67 27.4 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 104.864 -2.273 . . . . 0.0 104.864 -176.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 54.18 27.51 7.86 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.556 0.742 . . . . 0.0 112.305 -174.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 81.67 12.24 81.87 Favored Glycine 0 CA--C 1.532 1.122 0 CA-C-O 119.017 -0.88 . . . . 0.0 113.607 175.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -143.35 154.58 43.89 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 118.563 1.181 . . . . 0.0 109.485 -178.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 77.5 mtm180 -84.63 145.17 28.14 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 121.096 -1.002 . . . . 0.0 110.214 -176.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.4 tmtm? -143.57 131.15 21.18 Favored 'General case' 0 C--O 1.227 -0.114 0 C-N-CA 126.441 1.896 . . . . 0.0 106.0 -176.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 90.3 m95 -80.57 131.23 35.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 119.008 0.822 . . . . 0.0 109.936 178.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -133.41 162.88 30.65 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.472 1.509 . . . . 0.0 107.451 169.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -110.05 167.65 10.02 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.781 1.232 . . . . 0.0 110.695 -174.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 21.1 ttp180 -51.69 -45.82 63.64 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 120.796 -1.19 . . . . 0.0 114.076 -174.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 2.0 ppp? -72.02 -19.21 61.89 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 120.633 1.56 . . . . 0.0 113.008 177.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -85.49 -13.25 49.68 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 118.145 -0.931 . . . . 0.0 111.2 175.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 67.2 t -113.29 92.07 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 N-CA-C 105.948 -1.871 . . . . 0.0 105.948 -175.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 12.7 pt -109.93 161.71 8.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 -174.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 4.6 mt -108.32 123.63 49.11 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 -171.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.25 137.52 58.11 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 106.014 -1.847 . . . . 0.0 106.014 168.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 3.1 pp -54.56 -36.14 64.02 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -169.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -62.28 -39.6 93.49 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.617 -0.677 . . . . 0.0 109.801 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 42.9 mm-40 -75.98 -45.64 33.74 Favored 'General case' 0 C--O 1.222 -0.353 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 -178.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -60.33 -29.68 69.49 Favored Glycine 0 CA--C 1.524 0.634 0 C-N-CA 123.724 0.678 . . . . 0.0 111.864 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -58.15 -39.93 80.09 Favored 'General case' 0 N--CA 1.464 0.243 0 O-C-N 121.373 -1.075 . . . . 0.0 112.275 173.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -59.97 -21.81 61.71 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 119.029 0.832 . . . . 0.0 111.725 177.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 7.5 mp -96.25 -26.89 15.25 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 124.568 1.147 . . . . 0.0 110.738 178.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 65.2 ttp85 -56.28 -39.31 72.46 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 119.799 1.181 . . . . 0.0 111.718 -177.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -59.29 -20.32 53.42 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 178.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -114.58 -48.87 2.84 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-N 119.893 1.224 . . . . 0.0 111.893 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.1 m-30 -91.49 -9.56 44.01 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.66 1.184 . . . . 0.0 112.34 -169.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -54.44 131.39 46.12 Favored Glycine 0 CA--C 1.527 0.818 0 C-N-CA 125.402 1.477 . . . . 0.0 111.018 177.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1602 ' ' LEU . . . . . 0.555 HD22 HD23 ' A' 1534 ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.467 0.405 0 CA-C-N 118.53 1.165 . . . . 0.0 109.784 174.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 91.4 m-85 . . . . . 0 N--CA 1.469 0.49 0 N-CA-C 113.977 1.103 . . . . 0.0 113.977 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 6.7 t -58.36 115.85 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 C-N-CA 125.382 1.473 . . . . 0.0 108.602 -174.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 111.76 -19.87 23.02 Favored Glycine 0 CA--C 1.532 1.11 0 C-N-CA 125.279 1.418 . . . . 0.0 112.807 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 9.7 mp -75.6 137.68 40.94 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 118.932 1.366 . . . . 0.0 110.465 -172.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 54.2 mtm180 -77.25 126.86 31.62 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 106.318 -1.734 . . . . 0.0 106.318 168.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 19.7 m -147.49 -175.81 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 125.627 1.571 . . . . 0.0 107.674 -172.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 3.5 t -122.13 144.22 32.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 106.044 -1.835 . . . . 0.0 106.044 171.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -146.79 152.88 39.48 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 124.46 1.104 . . . . 0.0 109.033 -169.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 77.7 tttt -83.83 129.74 34.93 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 179.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 23.2 t-105 . . . . . 0 CA--C 1.537 0.45 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 169.559 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 9.7 m-30 . . . . . 0 C--O 1.236 0.392 0 CA-C-O 121.55 0.69 . . . . 0.0 109.489 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 2.2 m-30 -94.16 108.21 20.09 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 105.533 -2.025 . . . . 0.0 105.533 -174.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -98.66 155.5 17.29 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.51 1.124 . . . . 0.0 108.311 -176.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 14.8 m -78.89 148.7 32.65 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.975 -0.453 . . . . 0.0 110.323 178.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -170.97 -179.5 42.2 Favored Glycine 0 CA--C 1.522 0.499 0 O-C-N 122.012 -0.43 . . . . 0.0 112.16 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.57 137.23 52.14 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 106.554 -1.647 . . . . 0.0 106.554 178.005 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 15.1 mt -72.02 135.7 27.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 106.428 -1.693 . . . . 0.0 106.428 173.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 60.7 p -111.24 -37.7 5.23 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 123.061 0.544 . . . . 0.0 110.877 -170.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -165.12 142.0 5.81 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.715 0.806 . . . . 0.0 111.058 174.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 7.3 t70 -69.31 102.27 1.69 Allowed 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.943 1.297 . . . . 0.0 108.086 169.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -65.35 -49.67 77.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 -175.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 145.96 164.94 11.15 Favored Glycine 0 C--N 1.34 0.803 0 N-CA-C 109.894 -1.282 . . . . 0.0 109.894 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 59.24 7.22 0.85 Allowed 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 114.951 1.463 . . . . 0.0 114.951 178.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 105.65 -7.53 42.46 Favored Glycine 0 C--O 1.22 -0.726 0 C-N-CA 124.487 1.041 . . . . 0.0 111.443 -173.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -75.45 137.44 40.96 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 120.099 1.949 . . . . 0.0 107.65 169.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -127.66 139.63 52.6 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 104.614 -2.365 . . . . 0.0 104.614 169.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 12.7 ttpp -86.2 141.54 29.25 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 178.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . 0.427 HD21 HD13 ' A' 1532 ' ' ILE . 3.2 mm? -125.06 118.98 27.38 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -169.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 38.1 tp -82.37 92.67 7.04 Favored 'General case' 0 CA--C 1.511 -0.528 0 N-CA-C 103.868 -2.641 . . . . 0.0 103.868 169.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -56.95 146.11 27.92 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 170.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -65.05 -19.33 65.94 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -169.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 36.6 p-10 -79.24 -0.75 33.42 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.145 1.378 . . . . 0.0 113.283 173.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 108.75 -5.82 32.9 Favored Glycine 0 CA--C 1.532 1.107 0 C-N-CA 125.497 1.522 . . . . 0.0 114.298 169.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -80.2 155.38 27.41 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 118.114 0.957 . . . . 0.0 110.362 -174.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -139.7 122.26 16.25 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 124.599 1.16 . . . . 0.0 109.13 176.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 99.9 m -141.09 162.93 34.32 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 125.595 1.558 . . . . 0.0 107.614 170.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -74.52 142.66 44.77 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 170.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 96.4 t -139.38 135.95 40.84 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.237 0 N-CA-C 106.902 -1.518 . . . . 0.0 106.902 172.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 7.7 mt -72.81 149.78 43.32 Favored 'General case' 0 C--O 1.218 -0.554 0 C-N-CA 123.381 0.672 . . . . 0.0 111.284 178.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -57.99 -34.04 70.97 Favored Glycine 0 CA--C 1.522 0.52 0 CA-C-O 119.434 -0.648 . . . . 0.0 113.621 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1530 ' ' LYS . . . . . . . . . . . . 0.25 0.0 OUTLIER -71.39 8.43 1.05 Allowed 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 118.66 1.23 . . . . 0.0 112.919 172.477 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -129.76 22.85 5.4 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.209 1.803 . . . . 0.0 111.792 175.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1532 ' ' ILE . . . . . 0.427 HD13 HD21 ' A' 1517 ' ' LEU . 1.9 mt -132.06 140.72 47.25 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 O-C-N 120.625 -1.297 . . . . 0.0 107.881 176.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 73.5 mt -119.96 117.71 28.77 Favored 'General case' 0 C--O 1.227 -0.087 0 C-N-CA 127.783 2.433 . . . . 0.0 104.562 -178.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1534 ' ' LEU . . . . . 0.503 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -113.15 -4.16 13.83 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 116.712 2.116 . . . . 0.0 116.712 -169.289 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 24.8 p -131.62 51.83 2.11 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 105.72 -1.956 . . . . 0.0 105.72 -178.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 50.2 t0 -117.82 59.87 3.23 Favored Pre-proline 0 CA--C 1.538 0.486 0 N-CA-C 116.326 1.973 . . . . 0.0 116.326 -168.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -70.8 120.82 7.36 Favored 'Trans proline' 0 CA--C 1.543 0.973 1 N-CA-C 100.198 -4.578 . . . . 0.0 100.198 165.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 11.5 mm -59.14 123.41 69.42 Favored Pre-proline 0 CA--C 1.537 0.471 0 CA-C-N 119.065 0.848 . . . . 0.0 109.24 -168.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -60.4 143.87 99.49 Favored 'Trans proline' 0 N--CA 1.449 -1.099 0 C-N-CA 121.939 1.76 . . . . 0.0 110.311 177.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1540 ' ' LEU . . . . . 0.505 ' H ' HD12 ' A' 1540 ' ' LEU . 4.1 mp -59.44 147.82 35.09 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 169.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 23.0 t70 75.96 -5.93 2.08 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 127.343 2.257 . . . . 0.0 113.5 -175.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 19.0 m -68.93 135.8 51.57 Favored 'General case' 0 C--N 1.343 0.318 0 O-C-N 120.835 -1.166 . . . . 0.0 108.243 170.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -78.5 138.44 38.43 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 170.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 1.8 m -146.46 160.65 10.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 C-N-CA 124.546 1.138 . . . . 0.0 109.572 -175.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 8.8 m -90.23 132.35 35.55 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 105.563 -2.014 . . . . 0.0 105.563 169.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -100.68 146.26 27.41 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 169.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 3.9 mt -138.45 102.92 4.75 Favored 'General case' 0 CA--C 1.511 -0.539 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 -179.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 1.3 m -61.66 139.19 58.32 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 105.18 -2.156 . . . . 0.0 105.18 168.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -49.7 14.72 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.851 1 C-N-CA 132.118 4.167 . . . . 0.0 119.728 -168.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 26.9 t70 -119.93 -70.79 0.77 Allowed 'General case' 0 C--O 1.233 0.23 0 CA-C-N 119.741 1.155 . . . . 0.0 109.285 171.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -162.57 25.55 0.1 Allowed 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 119.205 0.911 . . . . 0.0 113.125 170.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -84.16 73.42 10.42 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 120.743 -1.223 . . . . 0.0 109.783 -174.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 18.4 t80 -60.38 128.89 38.92 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 125.723 1.609 . . . . 0.0 110.328 171.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 2.9 p -152.66 177.63 10.47 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.323 1.849 . . . . 0.0 108.121 169.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -139.84 157.36 45.84 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 120.684 1.584 . . . . 0.0 111.699 173.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -172.84 -160.15 20.86 Favored Glycine 0 CA--C 1.525 0.705 0 C-N-CA 126.402 1.953 . . . . 0.0 108.82 -172.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.0 t -131.1 142.64 43.02 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.378 0 CA-C-N 118.612 1.206 . . . . 0.0 109.085 -173.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 79.3 t -64.69 125.81 22.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 172.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 83.0 mttt -130.56 19.66 5.19 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 119.304 0.956 . . . . 0.0 111.72 170.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 177.11 179.59 47.54 Favored Glycine 0 CA--C 1.525 0.702 0 O-C-N 121.778 -0.576 . . . . 0.0 111.956 170.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 8.5 m80 -142.67 153.56 43.52 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 126.295 1.838 . . . . 0.0 111.221 -171.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 . . . . . 0 N--CA 1.463 0.222 0 C-N-CA 125.617 1.567 . . . . 0.0 107.347 170.057 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 33.9 tp . . . . . 0 N--CA 1.447 -0.589 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -129.97 158.22 40.17 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 125.657 1.583 . . . . 0.0 108.745 -176.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -141.15 130.21 23.31 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 -173.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.55 95.55 10.08 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 104.955 -2.239 . . . . 0.0 104.955 169.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 38.2 mm -78.32 128.05 38.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 N-CA-C 106.405 -1.702 . . . . 0.0 106.405 178.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -84.45 119.8 25.56 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 103.656 -2.72 . . . . 0.0 103.656 168.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 23.9 ttpt -142.2 132.75 25.28 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 105.027 -2.212 . . . . 0.0 105.027 -170.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 51.94 28.05 4.86 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.543 0.737 . . . . 0.0 112.719 -174.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 78.43 18.91 75.11 Favored Glycine 0 CA--C 1.531 1.051 0 CA-C-O 119.263 -0.743 . . . . 0.0 113.116 176.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -135.69 147.68 48.6 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 118.461 1.13 . . . . 0.0 108.745 175.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -82.75 138.35 34.07 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 176.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -142.46 130.71 22.14 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 106.173 -1.788 . . . . 0.0 106.173 -173.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 87.7 m95 -80.41 129.34 34.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 118.507 0.594 . . . . 0.0 109.444 178.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -131.51 161.55 32.32 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.986 1.314 . . . . 0.0 107.972 169.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -104.8 166.69 10.22 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.892 1.277 . . . . 0.0 110.097 -176.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 19.1 ttp180 -50.64 -44.67 57.51 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 -177.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 2.2 ppp? -74.38 -18.15 60.71 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 121.735 2.061 . . . . 0.0 113.173 177.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -86.49 -8.3 57.69 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 118.311 -0.852 . . . . 0.0 111.174 174.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 92.2 t -119.57 97.21 4.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 -177.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 9.6 pt -113.91 164.41 10.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 -173.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 10.1 mt -110.41 124.82 52.44 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 -175.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.44 143.58 39.81 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 169.303 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 3.3 pp -56.88 -34.08 67.51 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.288 0.949 . . . . 0.0 112.3 -169.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -67.07 -36.17 81.42 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.944 -0.472 . . . . 0.0 110.424 179.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -69.27 -50.08 50.15 Favored 'General case' 0 C--O 1.225 -0.229 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 175.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -56.68 -32.99 62.17 Favored Glycine 0 C--N 1.337 0.625 0 C-N-CA 123.725 0.679 . . . . 0.0 112.503 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -59.37 -43.49 92.87 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 118.235 1.017 . . . . 0.0 111.53 175.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 -64.91 -12.18 46.31 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.766 0.827 . . . . 0.0 111.702 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 9.1 mp -103.94 -23.41 13.36 Favored 'General case' 0 C--N 1.343 0.295 0 C-N-CA 124.881 1.272 . . . . 0.0 111.329 176.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 51.2 mtm180 -55.95 -38.63 70.61 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 121.24 1.836 . . . . 0.0 111.067 178.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -57.87 -22.32 47.57 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-O 118.057 -0.973 . . . . 0.0 113.334 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -116.74 -47.68 2.7 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-N 120.013 1.279 . . . . 0.0 112.468 176.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.0 m-30 -93.38 -7.72 43.87 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 124.057 0.943 . . . . 0.0 112.17 -169.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -57.93 131.27 51.97 Favored Glycine 0 CA--C 1.523 0.591 0 C-N-CA 124.938 1.256 . . . . 0.0 110.551 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1602 ' ' LEU . . . . . 0.503 HD22 HD23 ' A' 1534 ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.467 0.423 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 173.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 93.8 m-85 . . . . . 0 N--CA 1.466 0.342 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 3.7 t -56.67 116.0 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 C-N-CA 125.473 1.509 . . . . 0.0 109.026 -175.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 113.09 -22.76 15.29 Favored Glycine 0 CA--C 1.532 1.119 0 C-N-CA 125.398 1.475 . . . . 0.0 113.332 179.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 9.0 mp -74.74 138.5 42.76 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 118.697 1.249 . . . . 0.0 110.938 -172.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 9.9 mtm180 -78.1 127.17 31.9 Favored 'General case' 0 N--CA 1.462 0.157 0 N-CA-C 105.668 -1.975 . . . . 0.0 105.668 168.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 18.7 m -142.91 -174.72 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 C-N-CA 125.417 1.487 . . . . 0.0 107.535 -176.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 3.4 t -120.38 144.87 27.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 104.672 -2.344 . . . . 0.0 104.672 169.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -145.43 151.23 37.9 Favored 'General case' 0 CA--C 1.516 -0.333 0 C-N-CA 124.498 1.119 . . . . 0.0 109.028 -169.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 73.0 tttt -83.08 128.27 34.33 Favored 'General case' 0 CA--C 1.511 -0.557 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 -178.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 24.3 t-105 . . . . . 0 N--CA 1.449 -0.516 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 169.672 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A 1500 ' ' TYR . . . . . 0.413 ' CG ' ' HA ' ' A' 1589 ' ' SER . 12.8 m-30 . . . . . 0 C--O 1.235 0.306 0 CA-C-O 121.501 0.667 . . . . 0.0 110.776 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -86.6 109.89 19.45 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 173.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -101.05 150.23 23.12 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 124.792 1.237 . . . . 0.0 108.145 179.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 11.2 m -72.92 144.29 47.38 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.381 0.672 . . . . 0.0 109.757 178.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -169.39 -178.09 40.42 Favored Glycine 0 C--N 1.335 0.499 0 O-C-N 121.932 -0.48 . . . . 0.0 111.973 -176.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 38.6 mtmt -127.17 129.45 47.89 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 106.384 -1.71 . . . . 0.0 106.384 -172.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 20.1 mt -73.13 129.4 36.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 59.9 p -104.79 -36.24 7.47 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 123.017 0.527 . . . . 0.0 110.516 -171.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -168.08 141.91 3.34 Favored 'General case' 0 C--N 1.344 0.354 0 C-N-CA 124.113 0.965 . . . . 0.0 111.293 176.065 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 7.6 t70 -69.38 103.63 2.05 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 168.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.5 t -64.95 -50.84 73.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 C-N-CA 123.446 0.698 . . . . 0.0 109.454 -176.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 148.66 163.2 10.71 Favored Glycine 0 C--N 1.341 0.845 0 N-CA-C 109.741 -1.343 . . . . 0.0 109.741 178.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.13 11.06 0.69 Allowed 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 115.229 1.566 . . . . 0.0 115.229 177.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 104.26 -6.21 46.11 Favored Glycine 0 CA--C 1.525 0.691 0 C-N-CA 124.892 1.234 . . . . 0.0 111.585 -176.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 10.9 mtpp -74.94 136.27 41.38 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 120.156 1.978 . . . . 0.0 107.27 170.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -126.06 138.04 53.68 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 105.309 -2.108 . . . . 0.0 105.309 169.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -84.54 137.65 33.2 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 176.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.2 mm? -124.91 118.47 26.37 Favored 'General case' 0 CA--C 1.513 -0.452 0 C-N-CA 124.918 1.287 . . . . 0.0 108.292 -169.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 41.7 tp -84.03 94.47 8.31 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 105.252 -2.129 . . . . 0.0 105.252 169.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -57.69 148.98 22.94 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 172.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -65.19 -21.71 66.8 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -170.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 30.5 p-10 -79.07 -2.02 38.53 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.242 1.417 . . . . 0.0 113.219 173.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 107.01 -3.49 35.58 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 125.402 1.477 . . . . 0.0 113.799 169.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -79.44 154.56 28.85 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 118.3 1.05 . . . . 0.0 109.53 -175.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -140.68 117.52 11.05 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 -176.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 75.9 m -142.73 163.94 31.46 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 125.347 1.459 . . . . 0.0 107.79 173.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -87.25 143.2 27.39 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 173.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 78.2 t -142.05 137.08 30.27 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.264 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 -177.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.5 mt -73.98 151.11 40.39 Favored 'General case' 0 C--O 1.219 -0.55 0 C-N-CA 123.097 0.559 . . . . 0.0 111.943 178.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -58.14 -36.67 83.21 Favored Glycine 0 C--N 1.336 0.553 0 C-N-CA 124.028 0.823 . . . . 0.0 112.759 -176.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.12 -20.8 60.06 Favored 'General case' 0 C--O 1.222 -0.352 0 O-C-N 121.495 -1.003 . . . . 0.0 112.374 175.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -103.47 20.21 18.29 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.433 1.493 . . . . 0.0 112.225 -175.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -131.35 136.91 56.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 N-CA-C 106.748 -1.575 . . . . 0.0 106.748 -177.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 63.3 mt -118.09 110.29 17.46 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 128.119 2.568 . . . . 0.0 104.389 -173.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1534 ' ' LEU . . . . . 0.559 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -107.59 -5.74 17.35 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 116.322 1.971 . . . . 0.0 116.322 -169.217 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 21.6 p -129.36 52.34 1.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 105.546 -2.02 . . . . 0.0 105.546 -177.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 56.2 t0 -118.47 61.28 4.5 Favored Pre-proline 0 C--O 1.238 0.482 0 N-CA-C 115.903 1.816 . . . . 0.0 115.903 -168.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -73.27 123.99 9.15 Favored 'Trans proline' 0 CA--C 1.546 1.113 1 N-CA-C 99.959 -4.67 . . . . 0.0 99.959 165.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1538 ' ' ILE . . . . . 0.548 HG21 HG11 ' A' 1544 ' ' VAL . 5.4 mm -59.84 120.55 50.94 Favored Pre-proline 0 CA--C 1.543 0.69 0 CA-C-N 119.514 1.052 . . . . 0.0 109.491 -168.023 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -63.31 143.64 89.57 Favored 'Trans proline' 0 N--CA 1.456 -0.684 0 C-N-CA 121.794 1.663 . . . . 0.0 110.442 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 2.9 mp -57.14 146.46 27.77 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 169.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 5.7 t70 74.54 -3.29 2.6 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 126.905 2.082 . . . . 0.0 113.731 -177.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 21.8 m -69.43 136.13 51.18 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 169.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -82.55 135.94 34.97 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 171.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1544 ' ' VAL . . . . . 0.548 HG11 HG21 ' A' 1538 ' ' ILE . 2.6 m -146.74 162.94 8.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 124.092 0.957 . . . . 0.0 109.507 -172.353 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 7.0 m -89.49 134.97 33.86 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 105.87 -1.9 . . . . 0.0 105.87 169.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -105.0 140.46 38.15 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 107.096 -1.446 . . . . 0.0 107.096 173.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -137.55 102.43 4.76 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 124.231 1.013 . . . . 0.0 108.958 -169.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 14.7 m -59.97 132.78 55.0 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 105.853 -1.906 . . . . 0.0 105.853 169.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -43.08 -38.13 2.24 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.054 1.742 . . . . 0.0 115.011 -168.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 31.9 t70 -70.97 -52.03 22.14 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.473 0.579 . . . . 0.0 112.324 -177.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -177.33 -19.79 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 115.273 1.583 . . . . 0.0 115.273 175.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -58.35 121.76 11.62 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 119.529 1.058 . . . . 0.0 111.076 -169.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 2.5 t80 -112.15 133.53 54.24 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 125.06 1.344 . . . . 0.0 110.838 -169.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 4.9 p -151.77 177.46 10.38 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.506 1.522 . . . . 0.0 109.913 172.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -135.59 156.02 49.54 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 119.443 1.02 . . . . 0.0 110.363 169.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.76 -160.46 19.3 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 126.418 1.961 . . . . 0.0 108.402 -172.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.1 t -130.32 143.25 41.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 CA-C-N 118.777 1.289 . . . . 0.0 110.175 -173.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 62.5 t -65.5 126.59 24.93 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 172.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -131.49 13.27 5.0 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 119.348 0.976 . . . . 0.0 111.868 171.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -174.48 170.86 44.04 Favored Glycine 0 C--N 1.339 0.726 0 O-C-N 121.186 -0.947 . . . . 0.0 111.527 172.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 11.0 m80 -133.59 155.03 50.39 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 126.134 1.774 . . . . 0.0 109.333 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 37.1 ttt85 . . . . . 0 C--O 1.233 0.231 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 170.252 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 42.7 tp . . . . . 0 N--CA 1.448 -0.552 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -127.74 156.25 42.72 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 125.548 1.539 . . . . 0.0 109.588 -172.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1570 ' ' TYR . . . . . 0.424 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 71.8 m-85 -138.34 130.5 28.63 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 106.417 -1.697 . . . . 0.0 106.417 -175.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.46 101.67 12.82 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 102.82 -3.03 . . . . 0.0 102.82 168.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 32.4 mm -78.94 124.52 37.42 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 N-CA-C 105.107 -2.183 . . . . 0.0 105.107 172.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -82.78 123.22 29.12 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 104.59 -2.374 . . . . 0.0 104.59 169.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -144.81 138.77 27.32 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 105.046 -2.205 . . . . 0.0 105.046 -176.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 51.59 31.93 8.38 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 119.027 0.831 . . . . 0.0 111.901 -172.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 73.04 16.39 78.46 Favored Glycine 0 CA--C 1.533 1.188 0 CA-C-O 118.448 -1.196 . . . . 0.0 114.099 176.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -141.57 154.59 45.54 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 119.069 1.435 . . . . 0.0 110.01 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 42.6 mtm105 -79.64 144.13 34.06 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 -176.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -140.28 129.23 23.38 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 105.346 -2.094 . . . . 0.0 105.346 172.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 83.8 m95 -79.59 130.29 35.24 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 179.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -131.96 166.8 20.85 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.48 1.512 . . . . 0.0 107.394 169.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 59.6 pttt -115.84 167.52 10.87 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.319 1.048 . . . . 0.0 110.292 -176.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 45.7 ttt180 -51.44 -41.63 60.98 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 -169.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 2.3 ppp? -75.38 -17.28 60.25 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-N 121.705 2.048 . . . . 0.0 113.17 178.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -90.94 -5.75 55.02 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 125.569 1.548 . . . . 0.0 110.941 173.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 61.2 t -120.2 92.78 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 N-CA-C 106.179 -1.785 . . . . 0.0 106.179 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 9.9 pt -112.6 163.19 9.96 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 -172.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 2.9 mt -109.86 115.04 29.1 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 -175.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1589 ' ' SER . . . . . 0.413 ' HA ' ' CG ' ' A' 1500 ' ' TYR . 0.1 OUTLIER -53.26 148.59 8.34 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 169.831 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.3 pp -56.27 -35.58 67.63 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 -168.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -67.02 -37.25 83.8 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 121.46 -0.775 . . . . 0.0 110.383 178.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -66.57 -51.53 55.44 Favored 'General case' 0 C--O 1.225 -0.224 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 178.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -66.64 -25.91 72.89 Favored Glycine 0 C--N 1.339 0.727 0 CA-C-O 119.238 -0.756 . . . . 0.0 111.759 -173.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -56.86 -43.96 81.71 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 118.852 1.326 . . . . 0.0 111.838 172.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 3.6 mtt-85 -62.54 -17.23 59.45 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 179.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.6 mp -97.23 -28.64 13.98 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 124.502 1.121 . . . . 0.0 110.42 175.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 64.2 ttp85 -57.27 -38.98 74.73 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 119.327 0.967 . . . . 0.0 111.5 -176.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -58.06 -22.37 49.86 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 118.197 -0.906 . . . . 0.0 113.394 178.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -114.28 -47.08 2.95 Favored 'General case' 0 C--N 1.348 0.527 0 CA-C-N 119.837 1.199 . . . . 0.0 111.864 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 9.7 m-30 -93.0 -9.71 38.89 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 124.403 1.081 . . . . 0.0 112.273 -170.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -52.39 129.37 36.72 Favored Glycine 0 CA--C 1.524 0.652 0 C-N-CA 125.744 1.64 . . . . 0.0 110.523 176.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1602 ' ' LEU . . . . . 0.559 HD22 HD23 ' A' 1534 ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.343 0.302 0 CA-C-N 118.484 1.142 . . . . 0.0 109.176 173.039 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 95.8 m-85 . . . . . 0 N--CA 1.465 0.296 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 16.4 t -59.02 115.0 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 C-N-CA 124.93 1.292 . . . . 0.0 108.748 -175.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 116.1 -23.08 10.91 Favored Glycine 0 CA--C 1.532 1.114 0 C-N-CA 125.33 1.443 . . . . 0.0 112.749 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 10.3 mp -74.79 139.91 43.64 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 118.777 1.288 . . . . 0.0 110.954 -172.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 55.8 mtm180 -79.08 127.78 32.44 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 105.467 -2.049 . . . . 0.0 105.467 168.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 17.0 m -146.49 -172.77 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 C-N-CA 124.752 1.221 . . . . 0.0 107.74 -173.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.1 t -121.08 147.44 24.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 105.782 -1.932 . . . . 0.0 105.782 170.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -146.63 150.37 35.32 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 124.057 0.943 . . . . 0.0 108.594 -170.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 70.3 tttt -83.06 134.03 35.05 Favored 'General case' 0 CA--C 1.512 -0.506 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 177.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 28.3 t-105 . . . . . 0 N--CA 1.446 -0.66 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 169.485 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A 1500 ' ' TYR . . . . . 0.415 ' CG ' ' HA ' ' A' 1589 ' ' SER . 12.4 m-30 . . . . . 0 C--O 1.237 0.404 0 CA-C-O 121.361 0.6 . . . . 0.0 110.356 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -85.45 107.75 17.56 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 106.686 -1.598 . . . . 0.0 106.686 173.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -99.3 153.79 18.69 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 178.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 6.1 m -67.97 147.32 52.6 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.427 -0.796 . . . . 0.0 110.705 175.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -165.28 -177.64 37.85 Favored Glycine 0 C--N 1.334 0.432 0 CA-C-O 121.728 0.627 . . . . 0.0 111.659 176.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 40.8 mtmt -132.19 126.91 34.69 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 106.105 -1.813 . . . . 0.0 106.105 -173.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 14.2 mt -72.38 133.49 31.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 -177.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 34.5 p -109.75 -30.35 7.9 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 123.354 0.662 . . . . 0.0 109.392 -172.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 13.6 ttt-85 -168.15 149.7 5.2 Favored 'General case' 0 C--N 1.342 0.279 0 C-N-CA 123.01 0.524 . . . . 0.0 112.144 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 7.5 t70 -79.34 110.59 14.77 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 103.553 -2.758 . . . . 0.0 103.553 167.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.6 t -71.38 -50.45 40.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 147.27 163.92 10.86 Favored Glycine 0 C--N 1.34 0.778 0 N-CA-C 109.755 -1.338 . . . . 0.0 109.755 179.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 59.46 7.12 0.91 Allowed 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 115.261 1.578 . . . . 0.0 115.261 177.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 105.33 -6.98 42.88 Favored Glycine 0 CA--C 1.527 0.837 0 C-N-CA 124.502 1.049 . . . . 0.0 111.181 -173.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -75.0 138.47 42.24 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 120.199 1.999 . . . . 0.0 107.975 169.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -127.76 137.04 52.3 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 105.34 -2.096 . . . . 0.0 105.34 169.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -83.52 137.39 33.89 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 177.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.0 mm? -124.62 119.39 28.9 Favored 'General case' 0 CA--C 1.513 -0.479 0 C-N-CA 125.107 1.363 . . . . 0.0 108.693 -169.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 37.4 tp -83.72 95.46 8.41 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 104.1 -2.556 . . . . 0.0 104.1 169.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -58.68 148.86 27.74 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 172.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -68.33 -19.65 64.68 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 112.076 0.398 . . . . 0.0 112.076 -170.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 39.0 p-10 -77.37 -1.96 32.7 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.679 1.192 . . . . 0.0 113.025 171.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 105.47 -3.81 40.06 Favored Glycine 0 CA--C 1.531 1.047 0 C-N-CA 125.629 1.585 . . . . 0.0 113.586 169.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -78.18 158.17 29.12 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.196 0.998 . . . . 0.0 109.53 -176.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -142.4 121.48 12.92 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 -176.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 61.7 m -147.86 166.51 27.38 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 125.578 1.551 . . . . 0.0 107.653 172.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -79.89 144.6 33.26 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 170.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 92.8 t -140.58 139.34 35.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 107.262 -1.385 . . . . 0.0 107.262 174.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.2 mt -76.08 150.46 37.28 Favored 'General case' 0 CA--C 1.511 -0.521 0 C-N-CA 123.036 0.534 . . . . 0.0 111.997 178.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -57.84 -35.13 73.67 Favored Glycine 0 CA--C 1.522 0.473 0 C-N-CA 123.783 0.706 . . . . 0.0 113.42 -177.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.19 -11.21 28.65 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 121.531 -0.982 . . . . 0.0 113.061 174.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -115.36 20.83 14.56 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.156 1.782 . . . . 0.0 111.79 -177.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 1.1 mt -130.81 132.43 64.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 N-CA-C 106.256 -1.757 . . . . 0.0 106.256 178.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 8.3 mp -117.33 120.25 37.62 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 104.132 -2.544 . . . . 0.0 104.132 -175.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1534 ' ' LEU . . . . . 0.477 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -113.99 -1.37 13.81 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 116.905 2.187 . . . . 0.0 116.905 -168.627 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 24.3 p -132.7 50.42 2.24 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 106.483 -1.673 . . . . 0.0 106.483 -177.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 55.0 t0 -118.35 61.69 4.51 Favored Pre-proline 0 CA--C 1.54 0.574 0 N-CA-C 116.905 2.187 . . . . 0.0 116.905 -168.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -72.39 123.32 9.04 Favored 'Trans proline' 0 CA--C 1.545 1.046 1 N-CA-C 100.848 -4.328 . . . . 0.0 100.848 166.106 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1538 ' ' ILE . . . . . 0.4 ' HB ' ' CE2' ' A' 1570 ' ' TYR . 8.6 mm -60.61 123.65 75.16 Favored Pre-proline 0 CA--C 1.54 0.566 0 CA-C-N 119.839 1.2 . . . . 0.0 109.052 -168.45 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -63.0 145.3 94.23 Favored 'Trans proline' 0 N--CA 1.454 -0.848 0 C-N-CA 121.92 1.747 . . . . 0.0 110.495 176.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 3.7 mp -58.86 150.73 23.31 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 170.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 22.5 t70 72.68 -5.74 1.79 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 126.3 1.84 . . . . 0.0 113.495 -176.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 23.1 m -68.08 136.46 53.81 Favored 'General case' 0 C--O 1.238 0.485 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 169.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -84.23 136.14 34.06 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 107.377 -1.342 . . . . 0.0 107.377 172.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -146.07 162.54 10.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 C-N-CA 124.847 1.259 . . . . 0.0 108.881 -170.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 5.2 m -88.73 136.17 33.14 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 105.226 -2.139 . . . . 0.0 105.226 169.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -110.78 138.61 46.95 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 175.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.05 109.92 6.74 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 122.955 0.502 . . . . 0.0 111.025 -169.427 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 9.3 m -65.7 121.86 15.95 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 102.634 -3.099 . . . . 0.0 102.634 167.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 51.4 mp0 -47.47 -28.59 2.25 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 126.776 2.03 . . . . 0.0 115.683 -168.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 38.3 t70 -64.09 -46.33 84.74 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.713 0.688 . . . . 0.0 111.698 178.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 174.52 -21.6 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 126.045 1.738 . . . . 0.0 114.238 173.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -59.41 124.5 20.25 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 119.625 1.102 . . . . 0.0 109.631 -169.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 1.3 t80 -120.69 133.27 55.36 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 124.877 1.271 . . . . 0.0 110.413 -169.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 3.7 p -152.18 178.88 9.02 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.581 1.552 . . . . 0.0 109.43 170.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -132.32 157.34 44.71 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 119.809 1.186 . . . . 0.0 111.017 171.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.76 -163.44 24.8 Favored Glycine 0 CA--C 1.526 0.731 0 C-N-CA 126.358 1.932 . . . . 0.0 109.023 -170.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.9 t -130.19 142.78 42.9 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.335 0 CA-C-N 118.803 1.301 . . . . 0.0 109.666 -173.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 70.9 t -65.08 125.16 21.46 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 172.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -129.71 18.57 5.69 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.829 0.852 . . . . 0.0 111.219 173.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 174.68 178.56 44.65 Favored Glycine 0 CA--C 1.522 0.497 0 O-C-N 121.609 -0.682 . . . . 0.0 111.45 171.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 16.3 m80 -142.01 153.99 44.66 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 126.006 1.723 . . . . 0.0 110.899 -171.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 . . . . . 0 N--CA 1.463 0.221 0 C-N-CA 125.43 1.492 . . . . 0.0 107.1 171.095 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 38.2 tp . . . . . 0 N--CA 1.45 -0.446 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A 1569 ' ' TYR . . . . . 0.414 ' CE2' ' HB3' ' A' 1582 ' ' LYS . 32.4 m-85 -126.08 157.76 37.15 Favored 'General case' 0 CA--C 1.515 -0.389 0 C-N-CA 125.804 1.642 . . . . 0.0 109.384 -174.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1570 ' ' TYR . . . . . 0.4 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 58.6 m-85 -142.02 129.84 21.73 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 106.872 -1.529 . . . . 0.0 106.872 -173.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.97 97.62 11.06 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 104.877 -2.268 . . . . 0.0 104.877 169.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 39.8 mm -80.76 129.98 36.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 106.401 -1.703 . . . . 0.0 106.401 178.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -84.63 118.21 24.23 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 103.538 -2.764 . . . . 0.0 103.538 168.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -144.17 133.51 23.19 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 105.11 -2.182 . . . . 0.0 105.11 -169.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 52.26 34.29 14.36 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.808 0.843 . . . . 0.0 111.722 -169.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 71.32 18.62 76.94 Favored Glycine 0 CA--C 1.533 1.162 0 CA-C-O 119.029 -0.873 . . . . 0.0 113.898 175.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -144.36 155.12 43.65 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 118.575 1.188 . . . . 0.0 109.672 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 71.4 mtp85 -82.06 141.06 33.5 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 121.437 -0.789 . . . . 0.0 109.392 -174.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -146.17 130.03 17.21 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 106.359 -1.719 . . . . 0.0 106.359 -177.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 90.3 m95 -81.08 131.63 35.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 118.906 0.775 . . . . 0.0 110.053 176.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -134.34 164.6 27.04 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.557 1.543 . . . . 0.0 107.029 169.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1582 ' ' LYS . . . . . 0.414 ' HB3' ' CE2' ' A' 1569 ' ' TYR . 60.8 pttt -112.56 167.94 10.05 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 121.191 -0.943 . . . . 0.0 110.995 -178.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 67.0 ttp85 -41.36 -56.81 2.35 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.674 1.19 . . . . 0.0 114.056 -176.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 1.5 ppp? -71.57 -16.96 62.32 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 120.662 1.574 . . . . 0.0 113.83 -178.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -87.91 -6.47 58.04 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.614 1.165 . . . . 0.0 111.622 172.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 72.1 t -120.54 90.53 1.62 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 N-CA-C 105.972 -1.862 . . . . 0.0 105.972 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 13.9 pt -109.8 163.27 6.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -172.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 8.2 mt -106.29 114.01 27.88 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 106.892 -1.521 . . . . 0.0 106.892 -177.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1589 ' ' SER . . . . . 0.415 ' HA ' ' CG ' ' A' 1500 ' ' TYR . 0.4 OUTLIER -53.28 146.95 11.01 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 106.765 -1.568 . . . . 0.0 106.765 169.657 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.3 pp -53.92 -37.69 64.09 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 -168.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -71.16 -35.11 71.52 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.488 -0.757 . . . . 0.0 109.82 -177.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -63.98 -51.77 62.78 Favored 'General case' 0 C--N 1.342 0.257 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 174.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -67.16 -28.07 73.64 Favored Glycine 0 C--N 1.339 0.748 0 CA-C-O 119.195 -0.781 . . . . 0.0 111.648 -171.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -56.68 -43.41 80.44 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 118.577 1.188 . . . . 0.0 111.404 175.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 9.0 mtt-85 -60.96 -19.31 60.83 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 7.3 mp -99.84 -26.69 13.94 Favored 'General case' 0 CA--C 1.527 0.086 0 C-N-CA 124.183 0.993 . . . . 0.0 110.463 177.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -61.76 -36.0 79.76 Favored 'General case' 0 C--O 1.224 -0.259 0 O-C-N 121.253 -0.904 . . . . 0.0 110.407 -175.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -59.33 -20.93 58.57 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 118.227 -0.892 . . . . 0.0 113.283 177.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -113.62 -46.9 3.02 Favored 'General case' 0 C--N 1.347 0.477 0 CA-C-N 119.787 1.176 . . . . 0.0 111.499 179.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 12.6 m-30 -90.59 -17.45 26.92 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.086 0.954 . . . . 0.0 112.386 -169.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -44.38 129.61 7.18 Favored Glycine 0 CA--C 1.53 0.989 0 C-N-CA 126.368 1.937 . . . . 0.0 111.728 170.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1602 ' ' LEU . . . . . 0.477 HD22 HD23 ' A' 1534 ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.468 0.448 0 CA-C-N 118.091 0.946 . . . . 0.0 109.239 174.291 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 96.3 m-85 . . . . . 0 N--CA 1.468 0.468 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 21.9 t -60.8 113.83 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 C-N-CA 124.824 1.249 . . . . 0.0 108.631 -173.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 116.94 -22.56 10.5 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 125.198 1.38 . . . . 0.0 111.965 179.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 10.7 mp -73.34 135.97 44.39 Favored 'General case' 0 C--N 1.341 0.218 0 CA-C-N 118.868 1.334 . . . . 0.0 110.254 -173.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 54.8 mtm180 -74.32 128.29 35.16 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 105.765 -1.939 . . . . 0.0 105.765 168.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 21.3 m -147.64 -175.07 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 125.028 1.331 . . . . 0.0 107.521 -175.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 5.4 t -120.78 148.37 24.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 104.897 -2.261 . . . . 0.0 104.897 169.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -143.95 152.85 41.62 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 -172.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 75.8 tttt -82.87 138.69 33.81 Favored 'General case' 0 CA--C 1.51 -0.583 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 177.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 31.6 t-105 . . . . . 0 N--CA 1.447 -0.599 0 N-CA-C 105.533 -2.025 . . . . 0.0 105.533 169.23 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 4.3 m-30 . . . . . 0 N--CA 1.478 0.945 0 CA-C-O 121.097 0.475 . . . . 0.0 111.585 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -112.57 118.05 34.03 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 124.803 1.241 . . . . 0.0 107.737 -174.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -114.95 152.69 31.92 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.513 1.125 . . . . 0.0 107.967 -176.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 4.5 m -69.94 148.84 48.44 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 123.378 0.671 . . . . 0.0 110.622 177.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -169.53 -176.44 39.39 Favored Glycine 0 C--N 1.334 0.457 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 175.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.34 141.96 51.44 Favored 'General case' 0 CA--C 1.514 -0.441 0 N-CA-C 106.904 -1.517 . . . . 0.0 106.904 172.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 6.6 mt -70.14 135.04 29.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 106.601 -1.629 . . . . 0.0 106.601 175.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 47.6 p -110.89 -29.91 7.75 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 -173.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 13.8 ttt-85 -166.32 151.49 8.21 Favored 'General case' 0 CA--C 1.517 -0.316 0 C-N-CA 123.11 0.564 . . . . 0.0 112.081 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 6.4 t70 -81.05 110.37 16.51 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 103.105 -2.924 . . . . 0.0 103.105 167.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.4 t -70.98 -49.98 45.91 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 147.99 163.99 11.06 Favored Glycine 0 C--N 1.338 0.688 0 N-CA-C 109.901 -1.28 . . . . 0.0 109.901 177.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 60.36 4.31 0.67 Allowed 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 115.597 1.703 . . . . 0.0 115.597 176.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 109.25 -8.04 32.84 Favored Glycine 0 CA--C 1.524 0.632 0 C-N-CA 124.733 1.159 . . . . 0.0 111.164 -172.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -75.1 138.54 42.16 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 120.386 2.093 . . . . 0.0 107.957 169.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -127.87 138.02 52.54 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 105.36 -2.089 . . . . 0.0 105.36 169.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -85.02 138.45 32.44 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 177.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.0 mm? -124.95 119.48 28.87 Favored 'General case' 0 CA--C 1.515 -0.38 0 C-N-CA 124.799 1.24 . . . . 0.0 108.85 -169.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 38.1 tp -84.67 97.47 9.66 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 105.366 -2.087 . . . . 0.0 105.366 169.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -62.81 149.12 44.97 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 172.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -67.54 -21.98 65.44 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -172.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 20.6 p-10 -76.33 -0.08 21.29 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.272 1.029 . . . . 0.0 112.966 171.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 105.53 -5.63 40.98 Favored Glycine 0 CA--C 1.528 0.889 0 C-N-CA 125.999 1.762 . . . . 0.0 114.115 168.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -78.37 156.28 29.59 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 117.985 0.892 . . . . 0.0 109.77 -174.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -140.83 121.14 13.94 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 66.2 m -146.19 166.96 24.67 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 125.491 1.517 . . . . 0.0 108.034 171.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -81.84 143.87 31.43 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 172.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 81.6 t -140.89 139.05 34.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 106.792 -1.558 . . . . 0.0 106.792 176.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.8 mt -75.94 151.84 37.2 Favored 'General case' 0 CA--C 1.51 -0.595 0 O-C-N 121.801 -0.562 . . . . 0.0 110.895 178.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -53.81 -35.14 52.27 Favored Glycine 0 CA--C 1.524 0.605 0 C-N-CA 124.524 1.059 . . . . 0.0 113.287 179.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -23.48 62.69 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 122.161 -0.611 . . . . 0.0 111.293 177.032 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -109.87 20.68 17.75 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 125.725 1.61 . . . . 0.0 111.522 -171.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -129.14 137.79 56.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 N-CA-C 106.076 -1.824 . . . . 0.0 106.076 178.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 51.3 mt -121.74 112.56 18.55 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 104.006 -2.591 . . . . 0.0 104.006 -171.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1534 ' ' LEU . . . . . 0.548 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -110.94 -1.56 16.36 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 116.535 2.05 . . . . 0.0 116.535 -168.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . 0.404 ' C ' ' HD2' ' A' 1537 ' ' PRO . 25.1 p -130.98 50.99 2.18 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 106.451 -1.685 . . . . 0.0 106.451 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -89.95 10.12 0.04 OUTLIER Pre-proline 0 CA--C 1.542 0.646 2 C-N-CA 133.018 4.527 . . . . 0.0 121.918 -169.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . 0.404 ' HD2' ' C ' ' A' 1535 ' ' CYS . 38.3 Cg_endo -53.49 114.69 1.87 Allowed 'Trans proline' 0 C--N 1.353 0.803 0 CA-C-N 125.715 3.077 . . . . 0.0 107.095 169.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 9.1 mm -61.26 122.13 67.95 Favored Pre-proline 0 CA--C 1.537 0.446 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 -168.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 17.2 Cg_endo -65.6 142.7 72.14 Favored 'Trans proline' 0 N--CA 1.452 -0.917 0 C-N-CA 121.49 1.46 . . . . 0.0 109.844 176.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1540 ' ' LEU . . . . . 0.529 ' H ' HD12 ' A' 1540 ' ' LEU . 4.7 mp -59.35 148.53 32.05 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 177.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 25.8 t70 78.27 -7.74 1.76 Allowed 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 127.59 2.356 . . . . 0.0 113.332 -174.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 28.9 m -69.31 140.25 54.35 Favored 'General case' 0 C--O 1.236 0.359 0 O-C-N 121.048 -1.033 . . . . 0.0 108.896 171.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -81.87 139.74 34.52 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 174.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 1.4 m -146.01 159.45 11.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 124.554 1.142 . . . . 0.0 109.419 -175.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 2.2 m -89.22 133.24 34.51 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 104.725 -2.324 . . . . 0.0 104.725 169.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -105.96 139.38 40.59 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 174.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.72 107.87 5.76 Favored 'General case' 0 CA--C 1.514 -0.433 0 C-N-CA 123.426 0.691 . . . . 0.0 110.614 -169.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 13.7 m -62.19 132.85 54.12 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 104.747 -2.316 . . . . 0.0 104.747 168.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -49.79 -26.14 3.66 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 115.791 1.774 . . . . 0.0 115.791 -168.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 20.7 t70 -75.62 -46.92 28.83 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 119.014 0.825 . . . . 0.0 111.825 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 178.47 -24.01 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 177.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -57.64 120.88 9.11 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 119.14 0.882 . . . . 0.0 109.982 -169.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 2.3 t80 -116.89 130.81 56.94 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 125.456 1.502 . . . . 0.0 110.089 -168.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 1.6 p -152.14 178.52 9.39 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.032 1.733 . . . . 0.0 109.141 174.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -136.99 157.38 46.86 Favored 'General case' 0 N--CA 1.466 0.36 0 O-C-N 120.401 -1.437 . . . . 0.0 111.077 173.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -169.23 -160.98 18.69 Favored Glycine 0 CA--C 1.527 0.818 0 C-N-CA 126.184 1.849 . . . . 0.0 108.953 -171.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.1 t -130.65 143.56 40.56 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.31 0 CA-C-N 118.546 1.173 . . . . 0.0 109.147 -175.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 93.7 t -66.38 125.78 24.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 173.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 85.5 mttt -132.0 22.99 4.54 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.027 0.83 . . . . 0.0 111.904 169.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 176.58 178.78 46.62 Favored Glycine 0 CA--C 1.524 0.654 0 O-C-N 121.578 -0.701 . . . . 0.0 111.685 169.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 10.1 m80 -142.85 152.87 42.61 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 126.456 1.902 . . . . 0.0 111.086 -171.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 45.5 ttt180 . . . . . 0 N--CA 1.465 0.324 0 C-N-CA 125.46 1.504 . . . . 0.0 107.247 170.693 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 28.9 tp . . . . . 0 N--CA 1.446 -0.647 0 CA-C-O 120.926 0.393 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -128.99 159.78 34.82 Favored 'General case' 0 CA--C 1.517 -0.291 0 C-N-CA 126.063 1.745 . . . . 0.0 108.534 -178.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -141.88 137.05 31.09 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 107.243 -1.391 . . . . 0.0 107.243 -174.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.25 98.85 11.53 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 104.477 -2.416 . . . . 0.0 104.477 169.177 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 33.1 mm -79.35 128.11 38.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 178.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -84.0 120.78 26.53 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 102.922 -2.992 . . . . 0.0 102.922 168.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 24.2 ttpt -142.41 135.09 28.19 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 104.942 -2.244 . . . . 0.0 104.942 -171.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 54.64 25.62 6.58 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.264 0.625 . . . . 0.0 112.24 -173.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 80.96 14.07 80.11 Favored Glycine 0 C--N 1.343 0.96 0 CA-C-O 119.043 -0.865 . . . . 0.0 113.452 176.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -140.87 155.28 46.35 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 118.645 1.223 . . . . 0.0 110.107 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 58.7 mtp85 -80.51 141.66 34.94 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.725 -0.61 . . . . 0.0 109.716 -175.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -145.57 130.38 18.13 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 88.7 m95 -81.33 132.2 35.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 118.978 0.808 . . . . 0.0 110.284 176.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -134.08 164.24 27.77 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.012 1.325 . . . . 0.0 108.039 169.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -104.47 168.65 8.95 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.089 1.356 . . . . 0.0 110.239 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 14.1 ttp180 -49.28 -53.96 19.23 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 120.094 1.315 . . . . 0.0 113.66 -178.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 1.6 ppp? -70.06 -13.32 62.16 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 121.385 1.902 . . . . 0.0 113.492 -179.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -92.36 -4.75 53.4 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.991 1.317 . . . . 0.0 111.48 172.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 83.2 t -120.99 90.46 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 N-CA-C 106.204 -1.776 . . . . 0.0 106.204 176.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 10.3 pt -106.8 175.65 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.689 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 -176.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 6.5 mt -124.63 121.81 35.77 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -175.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 4.7 m -58.99 158.11 8.96 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 169.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 1.9 pp -54.89 -43.18 72.98 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 121.269 -0.894 . . . . 0.0 113.392 -169.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -67.76 -42.04 82.39 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 121.509 -0.745 . . . . 0.0 109.595 -178.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -60.08 -41.07 91.64 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.122 0.969 . . . . 0.0 109.948 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -70.67 -32.9 67.01 Favored Glycine 0 C--N 1.341 0.831 0 O-C-N 121.981 -0.45 . . . . 0.0 112.451 178.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -64.9 -38.98 92.79 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.936 0.895 . . . . 0.0 111.492 -178.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -54.1 -23.28 13.35 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 118.512 0.596 . . . . 0.0 112.083 174.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 11.8 mt -95.19 -31.31 13.57 Favored 'General case' 0 C--O 1.225 -0.213 0 C-N-CA 125.206 1.402 . . . . 0.0 111.207 -178.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 9.5 ttm-85 -57.56 -37.39 73.04 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.474 -0.766 . . . . 0.0 111.811 -171.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -57.09 -22.1 36.93 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.798 0.839 . . . . 0.0 113.131 177.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -115.4 -44.67 2.97 Favored 'General case' 0 C--N 1.346 0.451 0 CA-C-N 119.659 1.118 . . . . 0.0 112.665 177.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 6.6 m-30 -92.75 -10.47 36.89 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 123.594 0.758 . . . . 0.0 112.768 -169.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -54.84 130.23 46.21 Favored Glycine 0 CA--C 1.528 0.874 0 C-N-CA 125.627 1.584 . . . . 0.0 110.361 177.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1602 ' ' LEU . . . . . 0.548 HD22 HD23 ' A' 1534 ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.234 0.273 0 CA-C-N 118.438 1.119 . . . . 0.0 109.218 173.425 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 94.0 m-85 . . . . . 0 N--CA 1.467 0.412 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 4.1 t -56.15 111.98 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 C-N-CA 125.759 1.623 . . . . 0.0 108.942 -177.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 115.43 -21.57 12.78 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 125.301 1.429 . . . . 0.0 112.802 178.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 10.6 mp -72.75 140.09 47.55 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 118.754 1.277 . . . . 0.0 110.357 -175.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 57.1 mtp180 -81.72 126.32 31.66 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 105.558 -2.016 . . . . 0.0 105.558 168.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 14.4 m -143.51 -175.08 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 C-N-CA 124.852 1.261 . . . . 0.0 107.975 -173.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.8 t -121.93 144.4 31.27 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 N-CA-C 105.565 -2.013 . . . . 0.0 105.565 170.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -147.3 152.64 38.6 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.396 1.078 . . . . 0.0 109.046 -169.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 76.6 tttt -83.4 132.73 34.97 Favored 'General case' 0 CA--C 1.514 -0.442 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 16.3 t-105 . . . . . 0 CA--C 1.54 0.562 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 169.704 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A 1500 ' ' TYR . . . . . 0.419 ' CG ' ' HA ' ' A' 1589 ' ' SER . 11.3 m-30 . . . . . 0 C--O 1.235 0.307 0 CA-C-O 121.842 0.829 . . . . 0.0 110.412 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -94.94 108.51 20.56 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 105.368 -2.086 . . . . 0.0 105.368 -178.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -98.17 151.96 19.87 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 125.055 1.342 . . . . 0.0 108.112 -175.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 3.8 m -69.12 148.74 49.52 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 123.325 0.65 . . . . 0.0 110.262 175.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -172.37 -177.5 41.87 Favored Glycine 0 C--N 1.331 0.289 0 O-C-N 121.641 -0.662 . . . . 0.0 112.378 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -126.19 129.39 48.9 Favored 'General case' 0 CA--C 1.513 -0.466 0 C-N-CA 125.913 1.685 . . . . 0.0 106.593 -174.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 20.2 mt -72.28 128.32 35.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 106.872 -1.529 . . . . 0.0 106.872 179.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 73.2 p -102.94 -36.01 8.36 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 123.365 0.666 . . . . 0.0 110.519 -171.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -167.73 142.35 3.67 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 124.141 0.976 . . . . 0.0 111.087 176.591 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 6.1 t0 -70.77 103.5 2.61 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 168.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.5 t -64.78 -50.7 74.12 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 -176.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 148.67 163.73 11.04 Favored Glycine 0 C--N 1.338 0.656 0 N-CA-C 109.679 -1.368 . . . . 0.0 109.679 178.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 57.22 9.43 0.69 Allowed 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 115.016 1.487 . . . . 0.0 115.016 177.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 105.17 -5.69 42.13 Favored Glycine 0 C--O 1.222 -0.642 0 C-N-CA 125.099 1.333 . . . . 0.0 111.328 -176.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 11.9 mtpp -75.03 135.49 41.26 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 120.021 1.911 . . . . 0.0 106.983 169.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -126.0 137.41 53.66 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 105.494 -2.039 . . . . 0.0 105.494 169.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 28.8 ttpt -84.33 138.49 32.86 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 176.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.4 mm? -125.17 118.29 25.74 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 125.001 1.32 . . . . 0.0 108.349 -169.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 32.0 tp -84.02 93.85 8.17 Favored 'General case' 0 CA--C 1.511 -0.539 0 N-CA-C 103.697 -2.705 . . . . 0.0 103.697 168.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -55.81 147.39 19.15 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 172.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -68.03 -17.01 64.28 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.086 -169.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 55.9 p-10 -84.39 5.08 28.49 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.485 1.514 . . . . 0.0 112.603 171.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 102.2 -4.56 51.97 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 125.304 1.431 . . . . 0.0 114.536 169.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -82.3 157.06 23.98 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 118.523 1.161 . . . . 0.0 110.042 -174.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -140.84 117.98 11.27 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 123.683 0.793 . . . . 0.0 108.874 -175.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 97.3 m -144.66 166.46 25.14 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 125.941 1.696 . . . . 0.0 107.799 174.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -94.16 145.23 24.84 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 123.552 0.741 . . . . 0.0 109.706 175.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 84.1 t -144.23 137.48 23.43 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 -174.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 7.7 mt -74.73 150.49 39.43 Favored 'General case' 0 CA--C 1.514 -0.427 0 C-N-CA 122.916 0.487 . . . . 0.0 111.053 178.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -55.44 -33.74 59.03 Favored Glycine 0 C--N 1.333 0.411 0 C-N-CA 124.402 1.001 . . . . 0.0 113.451 -178.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.85 -32.96 64.1 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 117.548 0.674 . . . . 0.0 110.413 176.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -99.72 22.47 10.94 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.579 1.551 . . . . 0.0 112.098 -170.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -132.08 136.29 56.89 Favored 'Isoleucine or valine' 0 C--N 1.347 0.467 0 N-CA-C 107.135 -1.432 . . . . 0.0 107.135 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 62.9 mt -116.25 115.21 25.55 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 127.368 2.267 . . . . 0.0 104.957 -176.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1534 ' ' LEU . . . . . 0.546 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -110.7 -3.35 15.86 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 116.165 1.913 . . . . 0.0 116.165 -169.286 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 22.9 p -132.91 52.73 2.06 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 106.395 -1.706 . . . . 0.0 106.395 -177.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 51.3 t0 -115.44 62.65 1.78 Allowed Pre-proline 0 CA--C 1.541 0.62 0 N-CA-C 117.439 2.385 . . . . 0.0 117.439 -168.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -72.49 119.54 6.18 Favored 'Trans proline' 0 CA--C 1.545 1.071 1 N-CA-C 101.129 -4.22 . . . . 0.0 101.129 166.08 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 9.7 mm -59.85 122.79 68.18 Favored Pre-proline 0 CA--C 1.538 0.506 0 CA-C-N 119.5 1.045 . . . . 0.0 109.496 -168.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -65.73 142.74 71.44 Favored 'Trans proline' 0 N--CA 1.452 -0.942 0 C-N-CA 121.453 1.436 . . . . 0.0 110.139 176.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1540 ' ' LEU . . . . . 0.406 ' H ' HD12 ' A' 1540 ' ' LEU . 4.4 mp -56.75 146.92 24.39 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 174.227 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 4.5 t70 77.18 -3.88 2.41 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 127.455 2.302 . . . . 0.0 113.57 -177.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 21.6 m -69.72 136.35 50.9 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 171.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -75.01 136.5 41.24 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 170.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 2.3 m -145.3 160.06 13.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 124.765 1.226 . . . . 0.0 109.183 -177.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 4.4 m -90.68 141.97 28.24 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 106.23 -1.767 . . . . 0.0 106.23 169.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -118.37 141.77 48.2 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 126.161 1.784 . . . . 0.0 107.866 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -138.75 122.08 17.1 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 123.98 0.912 . . . . 0.0 110.94 -169.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 15.5 m -73.41 162.12 29.66 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 107.061 -1.459 . . . . 0.0 107.061 168.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -74.23 13.14 0.61 Allowed 'General case' 0 CA--C 1.55 0.952 0 O-C-N 120.872 -1.142 . . . . 0.0 112.7 -175.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 21.0 t0 -147.18 60.45 1.17 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.98 1.712 . . . . 0.0 108.913 -177.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1551 ' ' GLU . . . . . . . . . . . . 0.268 6.8 pt-20 58.96 -7.61 0.05 OUTLIER 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 119.304 3.075 . . . . 0.0 119.304 171.104 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -59.82 128.98 39.58 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 121.595 1.998 . . . . 0.0 108.534 171.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -137.09 129.96 30.55 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 124.453 1.101 . . . . 0.0 109.474 -169.161 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 3.3 p -152.06 177.9 10.01 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.609 1.563 . . . . 0.0 109.367 174.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -131.06 156.88 44.43 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 119.723 1.147 . . . . 0.0 111.28 174.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.31 -160.06 17.76 Favored Glycine 0 CA--C 1.528 0.901 0 C-N-CA 126.362 1.934 . . . . 0.0 109.038 -170.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.0 t -133.26 142.66 41.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 CA-C-N 118.943 1.371 . . . . 0.0 109.731 -174.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 71.4 t -65.43 129.42 29.64 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.161 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 172.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -132.93 13.76 4.32 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.813 1.245 . . . . 0.0 111.576 171.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -177.47 173.3 46.04 Favored Glycine 0 C--N 1.342 0.896 0 CA-C-N 119.474 1.034 . . . . 0.0 112.603 174.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 13.7 m80 -135.25 153.82 51.78 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 126.33 1.852 . . . . 0.0 109.897 -178.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 44.7 ttt180 . . . . . 0 C--O 1.233 0.185 0 N-CA-C 107.078 -1.453 . . . . 0.0 107.078 172.27 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 40.3 tp . . . . . 0 N--CA 1.447 -0.603 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -130.7 156.43 44.94 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 124.618 1.167 . . . . 0.0 108.833 -174.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -136.67 134.41 37.22 Favored 'General case' 0 N--CA 1.446 -0.661 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 -177.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 36.9 t -82.44 107.35 15.03 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 102.281 -3.229 . . . . 0.0 102.281 168.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 24.7 mm -89.86 124.78 42.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 104.977 -2.231 . . . . 0.0 104.977 171.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -84.27 114.25 21.71 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 103.731 -2.692 . . . . 0.0 103.731 168.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -144.2 137.15 27.17 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 105.643 -1.984 . . . . 0.0 105.643 -169.431 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 51.15 32.13 7.53 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.799 0.84 . . . . 0.0 112.179 -170.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 68.03 24.26 74.51 Favored Glycine 0 CA--C 1.532 1.146 0 CA-C-O 119.278 -0.734 . . . . 0.0 113.336 178.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -139.05 144.65 38.9 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 118.41 1.105 . . . . 0.0 109.414 178.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 75.3 mtm-85 -83.86 125.63 32.16 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -178.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -139.54 131.28 27.43 Favored 'General case' 0 CA--C 1.523 -0.064 0 N-CA-C 107.021 -1.474 . . . . 0.0 107.021 -169.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 88.9 m95 -80.12 126.68 31.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 118.243 0.474 . . . . 0.0 110.128 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -127.61 146.49 50.52 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 106.6 -1.63 . . . . 0.0 106.6 169.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -86.96 165.45 15.85 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.24 1.016 . . . . 0.0 110.084 -176.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -48.63 -51.47 27.99 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 119.506 1.048 . . . . 0.0 113.24 -177.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 2.1 ppp? -67.47 -21.91 65.5 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 119.9 1.227 . . . . 0.0 113.036 -179.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -81.44 -11.49 59.22 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 118.631 -0.7 . . . . 0.0 111.556 176.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 92.2 t -113.12 91.27 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 N-CA-C 105.651 -1.981 . . . . 0.0 105.651 -174.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 9.3 pt -105.14 164.46 3.98 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 N-CA-C 107.551 -1.278 . . . . 0.0 107.551 -176.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 8.0 mt -108.08 122.77 47.56 Favored 'General case' 0 CA--C 1.509 -0.617 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 -176.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1589 ' ' SER . . . . . 0.419 ' HA ' ' CG ' ' A' 1500 ' ' TYR . 1.5 m -56.79 141.07 45.71 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 106.254 -1.758 . . . . 0.0 106.254 169.499 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.3 pp -52.22 -37.84 56.27 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 114.172 1.175 . . . . 0.0 114.172 -168.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -67.84 -41.16 83.4 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 119.115 0.87 . . . . 0.0 109.781 178.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -67.55 -40.18 84.98 Favored 'General case' 0 C--O 1.223 -0.337 0 O-C-N 121.676 -0.64 . . . . 0.0 109.38 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -64.41 -31.43 80.84 Favored Glycine 0 CA--C 1.528 0.876 0 O-C-N 121.309 -0.869 . . . . 0.0 112.092 174.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -64.84 -37.44 87.64 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 120.886 -1.361 . . . . 0.0 110.943 178.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -56.41 -23.88 41.24 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 118.455 0.571 . . . . 0.0 111.466 177.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 6.6 mp -99.45 -24.18 14.87 Favored 'General case' 0 C--N 1.342 0.275 0 C-N-CA 125.341 1.456 . . . . 0.0 111.327 -179.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 66.2 ttp85 -55.05 -38.51 68.1 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 119.973 1.26 . . . . 0.0 111.477 -177.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -59.46 -20.42 55.04 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-O 118.178 -0.915 . . . . 0.0 113.407 178.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -114.74 -48.5 2.85 Favored 'General case' 0 C--N 1.346 0.428 0 CA-C-N 120.096 1.316 . . . . 0.0 111.954 178.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.0 m-30 -91.68 -9.12 45.02 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 123.96 0.904 . . . . 0.0 112.268 -170.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -54.01 130.99 44.48 Favored Glycine 0 CA--C 1.527 0.816 0 C-N-CA 125.267 1.413 . . . . 0.0 110.795 177.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1602 ' ' LEU . . . . . 0.546 HD22 HD23 ' A' 1534 ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.234 0.265 0 CA-C-N 118.455 1.128 . . . . 0.0 109.378 172.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 92.0 m-85 . . . . . 0 N--CA 1.467 0.379 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 13.8 t -61.25 120.27 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 C-N-CA 124.084 0.954 . . . . 0.0 108.777 -175.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 110.78 -28.35 10.07 Favored Glycine 0 CA--C 1.53 1.005 0 C-N-CA 124.964 1.268 . . . . 0.0 112.619 -177.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 49.5 mt -69.52 139.16 53.79 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 118.728 1.264 . . . . 0.0 112.215 -174.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 50.7 mtp180 -81.82 128.43 34.01 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 105.668 -1.975 . . . . 0.0 105.668 168.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 14.7 m -145.79 -176.98 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 124.924 1.29 . . . . 0.0 107.63 -172.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.5 t -118.97 143.47 30.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 N-CA-C 105.357 -2.09 . . . . 0.0 105.357 169.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -147.11 153.08 39.51 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 124.233 1.013 . . . . 0.0 110.021 -169.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 79.3 tttt -82.71 130.69 35.17 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 -179.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 20.6 t-105 . . . . . 0 CA--C 1.539 0.533 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 169.7 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 12.1 m-30 . . . . . 0 C--O 1.237 0.41 0 CA-C-O 121.933 0.873 . . . . 0.0 110.62 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 5.4 m-30 -90.83 108.23 19.7 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 105.947 -1.872 . . . . 0.0 105.947 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -98.1 151.86 19.93 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.0 1.32 . . . . 0.0 108.096 -178.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 4.7 m -72.68 149.23 44.0 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 123.22 0.608 . . . . 0.0 110.363 177.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -173.26 -176.03 41.48 Favored Glycine 0 C--N 1.335 0.51 0 O-C-N 121.654 -0.654 . . . . 0.0 112.318 -177.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 38.7 mtmt -126.0 128.84 48.09 Favored 'General case' 0 CA--C 1.514 -0.428 0 C-N-CA 126.569 1.948 . . . . 0.0 106.868 -174.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 21.9 mt -72.52 134.23 30.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 106.733 -1.58 . . . . 0.0 106.733 177.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 43.6 p -110.12 -30.37 7.79 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 123.327 0.651 . . . . 0.0 109.789 -172.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 13.4 ttt-85 -168.12 149.0 5.02 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 115.727 -0.67 . . . . 0.0 112.215 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 6.5 t70 -78.45 110.35 13.45 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 103.761 -2.681 . . . . 0.0 103.761 167.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.5 t -71.58 -49.93 43.12 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 -179.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 147.73 164.04 11.03 Favored Glycine 0 C--N 1.338 0.665 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 178.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 60.3 4.52 0.69 Allowed 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 115.304 1.594 . . . . 0.0 115.304 177.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 107.86 -7.17 35.67 Favored Glycine 0 CA--C 1.523 0.556 0 C-N-CA 124.656 1.122 . . . . 0.0 111.087 -173.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -75.07 138.54 42.2 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 120.074 1.937 . . . . 0.0 107.993 169.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -127.9 137.5 52.33 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 105.091 -2.189 . . . . 0.0 105.091 169.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 29.4 ttpt -83.68 138.14 33.45 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 177.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.3 mm? -124.87 118.43 26.31 Favored 'General case' 0 CA--C 1.51 -0.572 0 C-N-CA 125.091 1.356 . . . . 0.0 108.891 -169.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 33.1 tp -84.08 92.96 8.01 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 103.686 -2.709 . . . . 0.0 103.686 168.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -54.49 148.12 12.74 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 171.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -67.74 -19.81 65.17 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 122.724 0.41 . . . . 0.0 111.953 -169.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 55.8 p30 -80.01 -0.1 33.96 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.586 1.554 . . . . 0.0 112.978 171.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 106.04 -4.23 38.59 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 125.46 1.505 . . . . 0.0 114.087 169.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -81.69 157.63 24.54 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 118.38 1.09 . . . . 0.0 110.155 -174.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -141.43 118.46 11.24 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 123.363 0.665 . . . . 0.0 109.287 -174.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 74.2 m -144.31 164.44 30.76 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 125.339 1.456 . . . . 0.0 108.472 174.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -81.33 145.13 31.02 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 170.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 97.0 t -142.06 139.23 30.49 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.178 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 177.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.7 mt -79.33 152.78 30.27 Favored 'General case' 0 CA--C 1.512 -0.498 0 C-N-CA 123.139 0.576 . . . . 0.0 111.937 179.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -53.7 -39.69 61.85 Favored Glycine 0 CA--C 1.523 0.534 0 C-N-CA 124.456 1.027 . . . . 0.0 113.788 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1530 ' ' LYS . . . . . . . . . . . . 0.255 0.0 OUTLIER -65.59 -9.98 31.51 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 118.685 1.242 . . . . 0.0 113.128 178.087 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -112.13 21.32 15.98 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.657 1.583 . . . . 0.0 111.525 -177.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -133.66 138.91 49.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 73.5 mt -120.48 116.16 24.89 Favored 'General case' 0 CA--C 1.521 -0.172 0 N-CA-C 104.609 -2.367 . . . . 0.0 104.609 -177.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1534 ' ' LEU . . . . . 0.552 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -109.3 -3.1 17.41 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 116.655 2.094 . . . . 0.0 116.655 -169.013 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 24.2 p -134.6 53.81 1.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 105.929 -1.878 . . . . 0.0 105.929 -177.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 51.9 t0 -117.26 64.54 3.84 Favored Pre-proline 0 CA--C 1.541 0.597 0 N-CA-C 117.273 2.323 . . . . 0.0 117.273 -168.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -72.11 120.36 6.76 Favored 'Trans proline' 0 CA--C 1.545 1.066 1 N-CA-C 100.981 -4.276 . . . . 0.0 100.981 165.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 10.3 mm -60.13 124.08 75.72 Favored Pre-proline 0 CA--C 1.538 0.511 0 CA-C-N 119.3 0.954 . . . . 0.0 109.865 -168.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -61.66 143.6 96.74 Favored 'Trans proline' 0 N--CA 1.454 -0.828 0 C-N-CA 122.066 1.844 . . . . 0.0 110.712 175.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1540 ' ' LEU . . . . . 0.486 ' H ' HD12 ' A' 1540 ' ' LEU . 4.1 mp -59.52 149.63 29.29 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 169.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 21.8 t70 74.27 -4.6 2.26 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 127.04 2.136 . . . . 0.0 113.536 -175.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 19.2 m -70.72 133.58 46.72 Favored 'General case' 0 C--O 1.238 0.475 0 O-C-N 120.826 -1.171 . . . . 0.0 108.402 171.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -74.48 136.31 42.26 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 170.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 2.4 m -145.94 160.56 11.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 C-N-CA 124.309 1.043 . . . . 0.0 109.506 -175.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 7.6 m -90.25 143.12 27.06 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 105.954 -1.869 . . . . 0.0 105.954 169.054 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -121.64 143.29 49.41 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 125.907 1.683 . . . . 0.0 107.438 -179.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -138.59 120.44 15.38 Favored 'General case' 0 CA--C 1.518 -0.288 0 C-N-CA 124.04 0.936 . . . . 0.0 109.03 -169.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 14.8 m -71.45 158.56 36.06 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 106.655 -1.609 . . . . 0.0 106.655 168.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -73.63 12.86 0.56 Allowed 'General case' 0 CA--C 1.55 0.946 0 O-C-N 121.264 -0.898 . . . . 0.0 112.879 -171.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 25.1 t0 -143.18 57.53 1.39 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.649 1.58 . . . . 0.0 109.293 177.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1551 ' ' GLU . . . . . . . . . . . . 0.286 9.4 pt-20 59.5 2.97 0.37 Allowed 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 119.34 3.089 . . . . 0.0 119.34 169.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -66.31 131.73 46.77 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 120.47 1.487 . . . . 0.0 107.403 169.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -134.22 130.63 37.47 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.358 1.063 . . . . 0.0 109.974 -169.567 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 2.4 p -152.05 178.82 9.05 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.654 1.582 . . . . 0.0 109.504 173.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -131.42 159.2 38.72 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 119.599 1.091 . . . . 0.0 111.0 173.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.87 -159.8 17.8 Favored Glycine 0 CA--C 1.528 0.893 0 C-N-CA 126.348 1.928 . . . . 0.0 109.278 -172.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.4 t -130.98 142.23 44.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-N 118.743 1.271 . . . . 0.0 109.454 -175.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 80.9 t -64.59 126.29 23.15 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 171.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 82.3 mttt -131.84 20.34 4.59 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 119.494 1.043 . . . . 0.0 111.732 170.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 176.98 179.34 47.33 Favored Glycine 0 CA--C 1.524 0.622 0 O-C-N 121.762 -0.586 . . . . 0.0 111.989 169.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 10.3 m80 -141.95 157.26 45.16 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 125.893 1.677 . . . . 0.0 110.887 -172.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 6.4 ttt-85 . . . . . 0 N--CA 1.465 0.287 0 C-N-CA 125.916 1.686 . . . . 0.0 107.319 169.845 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 36.9 tp . . . . . 0 N--CA 1.445 -0.699 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -124.44 155.4 38.94 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 125.084 1.354 . . . . 0.0 108.651 -174.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -138.25 128.41 25.81 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 106.382 -1.71 . . . . 0.0 106.382 -176.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -86.19 96.19 9.84 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 104.748 -2.316 . . . . 0.0 104.748 169.616 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 36.7 mm -79.04 130.53 36.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 105.98 -1.859 . . . . 0.0 105.98 177.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -83.9 118.11 23.77 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 103.695 -2.706 . . . . 0.0 103.695 168.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -143.93 134.56 24.93 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 105.055 -2.202 . . . . 0.0 105.055 -169.747 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 51.16 35.06 12.32 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.757 0.823 . . . . 0.0 111.637 -169.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 73.64 15.41 79.33 Favored Glycine 0 CA--C 1.532 1.115 0 CA-C-O 119.008 -0.885 . . . . 0.0 114.184 173.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -143.86 157.75 44.15 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 118.871 1.336 . . . . 0.0 109.5 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -79.99 140.97 36.38 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 121.555 -0.716 . . . . 0.0 109.263 -176.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -143.1 130.51 21.06 Favored 'General case' 0 CA--C 1.521 -0.136 0 N-CA-C 106.058 -1.83 . . . . 0.0 106.058 -178.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 89.6 m95 -80.83 131.63 35.41 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 118.741 0.701 . . . . 0.0 110.131 176.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -133.13 162.7 31.05 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 169.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -107.96 166.54 10.64 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.354 1.062 . . . . 0.0 109.791 -176.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 20.8 ttp180 -48.43 -47.0 38.32 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -178.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 1.7 ppp? -69.16 -23.97 64.01 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 120.648 1.567 . . . . 0.0 112.531 179.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -87.79 -6.29 58.22 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 124.59 1.156 . . . . 0.0 111.543 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 92.7 t -116.8 99.44 8.29 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.538 0 N-CA-C 105.84 -1.911 . . . . 0.0 105.84 -178.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 8.5 pt -116.75 164.1 13.36 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -172.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 8.7 mt -112.95 125.41 54.36 Favored 'General case' 0 CA--C 1.509 -0.626 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 -171.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.67 136.26 58.01 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 105.821 -1.918 . . . . 0.0 105.821 169.146 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 3.0 pp -54.65 -36.17 64.29 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -169.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -63.18 -37.53 87.57 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.633 0.773 . . . . 0.0 109.517 -178.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 44.1 mm-40 -75.5 -45.19 39.79 Favored 'General case' 0 C--O 1.225 -0.207 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 178.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -58.53 -31.2 66.44 Favored Glycine 0 C--N 1.34 0.76 0 C-N-CA 123.66 0.647 . . . . 0.0 112.062 178.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -58.32 -40.43 82.06 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 118.558 1.179 . . . . 0.0 111.744 174.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -61.27 -22.26 64.67 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 118.927 0.785 . . . . 0.0 111.733 177.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 7.3 mp -94.53 -26.12 16.56 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 124.067 0.947 . . . . 0.0 110.733 175.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -57.65 -39.72 77.65 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.881 1.272 . . . . 0.0 110.486 -176.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -58.99 -19.4 43.04 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-O 117.737 -1.125 . . . . 0.0 113.614 178.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -115.42 -49.99 2.74 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 120.575 1.534 . . . . 0.0 112.177 176.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 8.9 m-30 -91.43 -9.6 44.04 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 124.756 1.223 . . . . 0.0 112.258 -170.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -55.38 130.91 48.49 Favored Glycine 0 CA--C 1.523 0.586 0 C-N-CA 125.206 1.384 . . . . 0.0 109.891 177.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1602 ' ' LEU . . . . . 0.552 HD22 HD23 ' A' 1534 ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.462 0.154 0 N-CA-C 107.377 -1.342 . . . . 0.0 107.377 170.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 78.0 m-85 . . . . . 0 C--O 1.225 -0.202 0 CA-C-O 120.876 0.37 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 6.9 t -63.06 114.65 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 C-N-CA 125.748 1.619 . . . . 0.0 109.076 -172.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 112.91 -19.91 20.4 Favored Glycine 0 CA--C 1.528 0.846 0 C-N-CA 124.416 1.008 . . . . 0.0 112.427 179.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 9.5 mp -76.04 140.46 41.95 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 118.694 1.247 . . . . 0.0 109.939 -173.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 26.2 mtt-85 -79.09 129.86 34.89 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 106.553 -1.647 . . . . 0.0 106.553 168.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 16.5 m -147.76 -175.37 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 C-N-CA 124.948 1.299 . . . . 0.0 108.175 -174.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 4.1 t -118.91 144.15 28.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 105.335 -2.098 . . . . 0.0 105.335 169.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -145.73 152.45 39.61 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.475 1.11 . . . . 0.0 109.14 -169.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 78.1 tttt -83.01 131.94 35.16 Favored 'General case' 0 CA--C 1.515 -0.371 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 177.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 15.0 t-105 . . . . . 0 CA--C 1.539 0.532 0 N-CA-C 108.444 -0.946 . . . . 0.0 108.444 169.139 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 11.4 m-30 . . . . . 0 C--O 1.235 0.312 0 CA-C-O 121.918 0.866 . . . . 0.0 109.965 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -93.72 108.3 20.07 Favored 'General case' 0 N--CA 1.442 -0.832 0 N-CA-C 105.967 -1.864 . . . . 0.0 105.967 -177.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -99.62 155.04 17.81 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 -178.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 6.9 m -66.11 146.17 54.97 Favored 'General case' 0 C--O 1.236 0.345 0 O-C-N 121.529 -0.732 . . . . 0.0 110.425 173.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -167.22 -179.01 39.9 Favored Glycine 0 C--N 1.332 0.326 0 N-CA-C 111.612 -0.595 . . . . 0.0 111.612 -179.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -134.34 126.16 29.09 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 105.926 -1.879 . . . . 0.0 105.926 -170.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 15.8 mt -73.13 134.43 29.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 106.749 -1.574 . . . . 0.0 106.749 -176.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 51.3 p -110.03 -35.97 5.99 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 123.003 0.521 . . . . 0.0 110.669 -171.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -166.6 141.91 4.4 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.772 0.829 . . . . 0.0 111.432 174.436 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 5.9 t0 -69.36 102.56 1.78 Allowed 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 124.907 1.283 . . . . 0.0 107.666 168.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.5 t -64.96 -51.07 71.34 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 -176.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 146.19 164.86 11.16 Favored Glycine 0 C--N 1.339 0.741 0 N-CA-C 109.762 -1.335 . . . . 0.0 109.762 179.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 59.02 8.03 0.93 Allowed 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 178.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 103.66 -6.77 49.14 Favored Glycine 0 C--N 1.34 0.8 0 C-N-CA 124.228 0.918 . . . . 0.0 111.362 -173.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -75.34 137.62 41.22 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 120.567 2.183 . . . . 0.0 107.927 169.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -127.69 136.47 51.62 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 105.155 -2.165 . . . . 0.0 105.155 169.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -82.98 137.34 34.2 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 177.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 2.9 mm? -124.39 118.98 27.91 Favored 'General case' 0 CA--C 1.511 -0.556 0 C-N-CA 125.232 1.413 . . . . 0.0 109.046 -169.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 35.6 tp -84.07 98.05 9.65 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 105.543 -2.021 . . . . 0.0 105.543 169.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -61.92 152.88 30.79 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 122.851 0.461 . . . . 0.0 109.884 175.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -65.79 -23.03 66.62 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 122.142 -0.349 . . . . 0.0 110.994 170.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 26.4 t0 -62.39 -15.28 47.98 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.494 1.518 . . . . 0.0 111.8 170.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 102.29 -0.16 50.53 Favored Glycine 0 CA--C 1.533 1.163 0 C-N-CA 125.474 1.511 . . . . 0.0 113.245 171.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -93.67 162.12 14.07 Favored 'General case' 0 C--O 1.228 -0.06 0 C-N-CA 124.481 1.113 . . . . 0.0 109.728 -173.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -138.51 118.94 13.77 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 79.8 m -146.25 165.23 29.84 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 125.733 1.613 . . . . 0.0 108.186 172.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -76.54 143.33 40.43 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 172.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 96.1 t -140.15 136.93 37.86 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 N-CA-C 106.778 -1.564 . . . . 0.0 106.778 174.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.1 mt -74.85 148.43 40.22 Favored 'General case' 0 CA--C 1.509 -0.625 0 O-C-N 121.833 -0.542 . . . . 0.0 111.466 178.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -57.5 -35.12 71.11 Favored Glycine 0 CA--C 1.521 0.45 0 C-N-CA 124.088 0.851 . . . . 0.0 113.311 -176.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1530 ' ' LYS . . . . . 0.448 ' HD2' ' H ' ' A' 1530 ' ' LYS . 0.0 OUTLIER -60.82 -18.74 57.41 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 118.855 1.328 . . . . 0.0 112.638 173.881 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -106.46 22.81 15.21 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.543 1.537 . . . . 0.0 111.605 -176.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1532 ' ' ILE . . . . . 0.405 ' HB ' ' HG ' ' A' 1602 ' ' LEU . 1.1 mt -133.64 137.65 52.34 Favored 'Isoleucine or valine' 0 C--N 1.346 0.426 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 70.6 mt -119.55 114.75 22.73 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 127.478 2.311 . . . . 0.0 104.777 -175.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1534 ' ' LEU . . . . . 0.554 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -108.51 -3.5 18.05 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 116.713 2.116 . . . . 0.0 116.713 -168.939 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 24.3 p -133.79 54.46 1.95 Allowed 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 106.02 -1.845 . . . . 0.0 106.02 -177.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 53.9 t0 -116.89 62.44 2.82 Favored Pre-proline 0 CA--C 1.538 0.514 0 N-CA-C 117.197 2.295 . . . . 0.0 117.197 -168.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -72.66 121.84 7.72 Favored 'Trans proline' 0 CA--C 1.545 1.028 1 N-CA-C 100.798 -4.347 . . . . 0.0 100.798 165.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1538 ' ' ILE . . . . . 0.493 HG21 HG11 ' A' 1544 ' ' VAL . 4.9 mm -60.01 122.39 65.74 Favored Pre-proline 0 CA--C 1.539 0.546 0 CA-C-N 119.298 0.954 . . . . 0.0 108.682 -168.005 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -62.14 144.97 96.48 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 121.869 1.713 . . . . 0.0 110.709 178.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1540 ' ' LEU . . . . . 0.421 ' H ' HD12 ' A' 1540 ' ' LEU . 4.0 mp -58.62 148.85 27.49 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 169.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 21.4 t70 73.02 -4.57 2.14 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.49 1.916 . . . . 0.0 113.507 -176.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 23.5 m -68.29 136.3 53.26 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 169.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -84.49 135.16 34.35 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 172.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1544 ' ' VAL . . . . . 0.493 HG11 HG21 ' A' 1538 ' ' ILE . 2.4 m -147.61 163.09 6.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 124.469 1.108 . . . . 0.0 109.17 -171.055 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 6.3 m -88.66 142.82 27.37 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 105.81 -1.922 . . . . 0.0 105.81 169.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -116.56 142.51 46.79 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 125.726 1.61 . . . . 0.0 107.052 176.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.1 112.23 9.07 Favored 'General case' 0 CA--C 1.514 -0.406 0 C-N-CA 123.992 0.917 . . . . 0.0 109.197 -169.554 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 19.5 m -65.5 140.92 58.62 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 104.847 -2.279 . . . . 0.0 104.847 168.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -60.14 16.51 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 117.818 2.525 . . . . 0.0 117.818 -168.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 38.0 t70 -131.94 -41.57 1.02 Allowed 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 117.354 -1.307 . . . . 0.0 112.747 175.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -172.0 -32.71 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 120.363 1.438 . . . . 0.0 114.299 172.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -53.93 120.09 5.89 Favored 'General case' 0 C--N 1.341 0.217 0 C-N-CA 124.108 0.963 . . . . 0.0 111.017 -168.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 3.2 t80 -118.03 132.31 56.39 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 125.353 1.461 . . . . 0.0 110.681 -168.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 2.7 p -152.45 177.81 10.21 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.05 1.34 . . . . 0.0 109.419 171.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -133.67 156.77 47.32 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 121.013 -1.054 . . . . 0.0 111.22 171.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -169.31 -161.64 20.06 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 126.427 1.965 . . . . 0.0 108.975 -172.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.4 t -129.94 142.83 42.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 CA-C-N 118.864 1.332 . . . . 0.0 109.618 -174.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 76.4 t -65.53 123.81 19.21 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 173.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 79.1 mttt -131.84 31.7 4.18 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 119.328 0.967 . . . . 0.0 111.55 171.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 166.44 177.34 38.33 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.328 -0.709 . . . . 0.0 111.328 169.009 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 7.3 m80 -141.1 155.41 46.13 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 126.436 1.895 . . . . 0.0 110.492 -174.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 . . . . . 0 N--CA 1.46 0.057 0 C-N-CA 125.243 1.417 . . . . 0.0 107.542 170.015 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 45.7 tp . . . . . 0 N--CA 1.448 -0.568 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -125.94 155.73 40.87 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 125.066 1.346 . . . . 0.0 109.488 -173.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1570 ' ' TYR . . . . . 0.427 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 64.8 m-85 -138.45 127.54 24.12 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 106.087 -1.82 . . . . 0.0 106.087 -174.44 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.5 p -87.17 94.29 9.61 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 105.671 -1.974 . . . . 0.0 105.671 169.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 42.7 mm -76.58 127.96 37.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 106.425 -1.694 . . . . 0.0 106.425 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -83.32 124.29 30.47 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 104.237 -2.505 . . . . 0.0 104.237 168.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -144.78 136.97 26.11 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 105.239 -2.134 . . . . 0.0 105.239 -176.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 53.34 28.39 7.32 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.673 0.789 . . . . 0.0 112.292 -174.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 77.74 15.57 81.12 Favored Glycine 0 CA--C 1.531 1.065 0 CA-C-O 119.21 -0.772 . . . . 0.0 113.73 175.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -140.84 153.88 45.96 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 118.415 1.108 . . . . 0.0 109.239 177.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 68.2 mtm180 -88.28 145.81 25.66 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 119.144 0.884 . . . . 0.0 110.526 -176.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.7 tmtt? -143.63 132.37 22.56 Favored 'General case' 0 N--CA 1.46 0.068 0 N-CA-C 105.926 -1.879 . . . . 0.0 105.926 -175.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 89.9 m95 -80.82 131.24 35.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 118.779 0.718 . . . . 0.0 110.23 178.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -133.27 164.21 27.59 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.377 1.471 . . . . 0.0 107.103 169.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -110.94 165.39 11.9 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.039 0.935 . . . . 0.0 110.252 -176.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 24.8 ttp180 -43.92 -54.97 4.9 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 117.441 -1.266 . . . . 0.0 114.057 -177.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 2.0 ppp? -67.99 -20.33 65.02 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 120.773 1.624 . . . . 0.0 112.995 -178.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -89.35 -5.19 57.7 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.27 1.428 . . . . 0.0 111.116 176.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 67.8 t -118.77 92.92 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 N-CA-C 105.786 -1.931 . . . . 0.0 105.786 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 9.6 pt -114.23 162.61 12.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -170.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 3.9 mt -111.57 118.62 36.21 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -173.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.22 142.58 42.48 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 105.885 -1.895 . . . . 0.0 105.885 169.168 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 3.0 pp -55.01 -34.97 63.9 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.87 1.214 . . . . 0.0 112.975 -169.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -64.5 -36.87 85.58 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 123.166 0.586 . . . . 0.0 110.751 179.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -69.56 -49.83 50.55 Favored 'General case' 0 C--O 1.223 -0.332 0 C-N-CA 124.462 1.105 . . . . 0.0 108.111 175.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -60.8 -28.29 68.04 Favored Glycine 0 C--N 1.338 0.651 0 C-N-CA 124.157 0.884 . . . . 0.0 112.296 -176.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -57.32 -42.49 81.97 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 118.35 1.075 . . . . 0.0 111.139 174.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -59.3 -24.73 63.54 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 118.248 0.476 . . . . 0.0 111.731 179.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 7.9 mp -93.94 -26.85 16.67 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.101 0.96 . . . . 0.0 110.834 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -56.71 -39.09 73.26 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 119.601 1.091 . . . . 0.0 111.403 -176.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -59.57 -20.19 53.94 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-O 118.027 -0.987 . . . . 0.0 113.289 179.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -114.55 -48.49 2.86 Favored 'General case' 0 C--N 1.346 0.425 0 CA-C-N 119.95 1.25 . . . . 0.0 112.137 177.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 9.2 m-30 -91.74 -9.57 43.22 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 124.137 0.975 . . . . 0.0 112.285 -170.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -57.82 129.15 49.11 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 125.549 1.547 . . . . 0.0 110.606 -179.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1602 ' ' LEU . . . . . 0.554 HD22 HD23 ' A' 1534 ' ' LEU . 0.7 OUTLIER . . . . . 0 C--O 1.236 0.373 0 CA-C-N 118.356 1.078 . . . . 0.0 109.088 175.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 94.1 m-85 . . . . . 0 N--CA 1.466 0.36 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 4.0 t -57.22 111.94 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 C-N-CA 125.933 1.693 . . . . 0.0 109.032 -175.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 116.19 -21.11 12.25 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 125.302 1.43 . . . . 0.0 112.935 178.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 9.4 mp -74.85 138.64 42.64 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 118.879 1.34 . . . . 0.0 110.628 -173.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -78.53 127.61 32.39 Favored 'General case' 0 N--CA 1.461 0.121 0 N-CA-C 106.272 -1.751 . . . . 0.0 106.272 168.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 17.5 m -146.74 -175.43 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 125.591 1.556 . . . . 0.0 107.564 -174.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 15.0 t -119.56 151.12 21.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 104.463 -2.421 . . . . 0.0 104.463 169.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -146.69 151.94 38.03 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 -171.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 77.4 tttt -83.75 133.27 34.79 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 106.507 -1.664 . . . . 0.0 106.507 176.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 26.2 t-105 . . . . . 0 N--CA 1.443 -0.824 0 N-CA-C 104.386 -2.45 . . . . 0.0 104.386 168.964 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 4.7 m-30 . . . . . 0 N--CA 1.475 0.784 0 CA-C-O 121.17 0.51 . . . . 0.0 111.27 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -110.71 112.9 25.1 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 106.786 -1.561 . . . . 0.0 106.786 -170.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -113.09 151.49 30.72 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 -173.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 2.7 m -67.48 151.53 47.22 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 124.178 0.991 . . . . 0.0 110.396 177.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -171.37 -177.33 41.06 Favored Glycine 0 C--N 1.333 0.386 0 O-C-N 121.47 -0.769 . . . . 0.0 112.552 178.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 36.2 mtmt -131.96 129.06 39.7 Favored 'General case' 0 CA--C 1.517 -0.312 0 C-N-CA 126.234 1.813 . . . . 0.0 106.253 -174.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 15.7 mt -73.02 130.68 35.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 -177.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 72.9 p -105.39 -36.25 7.24 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 123.153 0.581 . . . . 0.0 110.362 -170.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -168.02 142.26 3.46 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 124.209 1.004 . . . . 0.0 111.044 175.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 6.1 t70 -69.51 102.93 1.92 Allowed 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.144 1.377 . . . . 0.0 107.374 168.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.4 t -64.5 -51.0 73.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 -176.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 145.96 165.06 11.22 Favored Glycine 0 C--N 1.339 0.696 0 N-CA-C 109.697 -1.361 . . . . 0.0 109.697 178.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 60.07 6.42 0.96 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.146 1.378 . . . . 0.0 114.706 178.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 105.72 -7.35 42.02 Favored Glycine 0 C--N 1.337 0.629 0 C-N-CA 124.788 1.185 . . . . 0.0 110.982 -173.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -74.68 138.84 43.09 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-N 120.515 2.158 . . . . 0.0 108.155 169.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -127.78 136.87 52.08 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 105.051 -2.203 . . . . 0.0 105.051 169.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -83.96 138.71 33.0 Favored 'General case' 0 CA--C 1.51 -0.575 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 176.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.1 mm? -124.52 119.07 28.05 Favored 'General case' 0 CA--C 1.508 -0.651 0 C-N-CA 124.862 1.265 . . . . 0.0 108.401 -169.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 28.8 tp -83.54 93.45 7.84 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 103.68 -2.711 . . . . 0.0 103.68 168.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -54.65 147.39 14.61 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 172.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -61.98 -20.77 64.22 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.115 0.566 . . . . 0.0 110.8 -178.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.5 -20.07 64.24 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 128.025 2.53 . . . . 0.0 111.124 173.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 102.22 2.14 51.18 Favored Glycine 0 CA--C 1.538 1.517 0 C-N-CA 126.305 1.907 . . . . 0.0 113.525 -178.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -89.87 159.94 16.71 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 125.211 1.404 . . . . 0.0 109.227 -175.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -141.85 117.95 10.66 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 -174.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 62.0 m -143.88 161.03 39.73 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 125.202 1.401 . . . . 0.0 108.024 177.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -78.85 145.42 34.24 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 170.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 80.5 t -141.9 140.48 30.15 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.242 0 N-CA-C 106.722 -1.584 . . . . 0.0 106.722 174.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 5.6 mt -77.41 149.17 35.17 Favored 'General case' 0 CA--C 1.512 -0.514 0 O-C-N 121.972 -0.455 . . . . 0.0 111.617 177.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -54.73 -39.36 67.04 Favored Glycine 0 C--N 1.335 0.524 0 C-N-CA 124.743 1.164 . . . . 0.0 112.426 -175.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.01 -31.47 63.11 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-N 117.974 0.887 . . . . 0.0 111.743 177.131 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -98.54 23.81 8.16 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.676 1.59 . . . . 0.0 112.996 -173.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -127.38 132.59 69.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 N-CA-C 105.717 -1.957 . . . . 0.0 105.717 178.309 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 55.1 mt -113.15 106.34 14.53 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 127.688 2.395 . . . . 0.0 104.833 -172.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1534 ' ' LEU . . . . . 0.567 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -103.12 -2.74 26.89 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 116.223 1.934 . . . . 0.0 116.223 -169.176 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 20.8 p -133.41 54.54 1.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 105.899 -1.889 . . . . 0.0 105.899 -176.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 52.0 t0 -120.4 61.22 8.22 Favored Pre-proline 0 CA--C 1.538 0.506 0 N-CA-C 116.626 2.084 . . . . 0.0 116.626 -167.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -71.92 122.75 8.75 Favored 'Trans proline' 0 CA--C 1.545 1.026 1 N-CA-C 100.367 -4.513 . . . . 0.0 100.367 165.429 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1538 ' ' ILE . . . . . 0.432 HG21 HG11 ' A' 1544 ' ' VAL . 5.2 mm -60.06 120.76 53.55 Favored Pre-proline 0 CA--C 1.541 0.608 0 CA-C-N 119.779 1.172 . . . . 0.0 109.358 -167.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -61.9 144.66 96.83 Favored 'Trans proline' 0 N--CA 1.453 -0.903 0 C-N-CA 122.052 1.835 . . . . 0.0 110.486 178.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1540 ' ' LEU . . . . . 0.493 ' H ' HD12 ' A' 1540 ' ' LEU . 4.2 mp -60.18 147.69 38.93 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 169.522 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 23.9 t70 75.69 -5.83 2.1 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 127.554 2.342 . . . . 0.0 113.694 -174.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 22.4 m -68.86 133.04 47.71 Favored 'General case' 0 C--O 1.238 0.494 0 O-C-N 120.971 -1.081 . . . . 0.0 108.333 171.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -75.69 136.21 40.38 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 169.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1544 ' ' VAL . . . . . 0.432 HG11 HG21 ' A' 1538 ' ' ILE . 2.4 m -146.2 159.62 11.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 C-N-CA 124.489 1.115 . . . . 0.0 109.328 -175.194 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 3.5 m -89.42 128.18 35.91 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 105.117 -2.179 . . . . 0.0 105.117 169.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -94.13 140.74 29.37 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 171.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.43 99.17 3.77 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.67 0.788 . . . . 0.0 110.049 -170.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 6.1 m -62.39 121.22 12.67 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 103.886 -2.635 . . . . 0.0 103.886 169.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -44.6 -26.45 0.37 Allowed 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 127.115 2.166 . . . . 0.0 116.658 -167.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 26.9 t70 -70.21 -44.82 67.85 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 119.466 1.03 . . . . 0.0 111.973 177.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 175.38 -26.54 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.692 1.597 . . . . 0.0 113.975 176.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -53.79 120.5 6.35 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 118.97 0.805 . . . . 0.0 111.153 -169.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 1.8 t80 -115.52 133.3 56.16 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 125.005 1.322 . . . . 0.0 110.375 -168.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 6.1 p -152.41 177.1 10.96 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 125.67 1.588 . . . . 0.0 109.141 171.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -134.42 156.13 49.09 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 119.415 1.007 . . . . 0.0 110.536 169.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -171.46 -160.63 20.44 Favored Glycine 0 CA--C 1.525 0.669 0 C-N-CA 126.277 1.894 . . . . 0.0 108.552 -171.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 4.5 t -131.9 141.74 44.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-N 118.561 1.18 . . . . 0.0 109.623 -173.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 73.9 t -65.04 125.25 21.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 171.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 81.7 mttt -131.16 20.67 4.87 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 119.451 1.023 . . . . 0.0 111.544 169.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 178.98 179.17 48.64 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.568 -0.613 . . . . 0.0 111.568 170.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 8.5 m80 -141.64 153.95 45.06 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 126.731 2.013 . . . . 0.0 110.778 -172.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 . . . . . 0 C--O 1.233 0.234 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 170.026 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 30.0 tp . . . . . 0 C--O 1.234 0.282 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -128.21 158.56 37.76 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 125.937 1.695 . . . . 0.0 109.916 -176.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -141.04 131.8 25.77 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 -174.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.1 p -89.67 100.82 13.54 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 105.022 -2.214 . . . . 0.0 105.022 169.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 39.1 mm -80.43 126.99 39.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 106.604 -1.628 . . . . 0.0 106.604 177.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -87.19 126.12 34.6 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 104.795 -2.298 . . . . 0.0 104.795 168.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -145.51 134.79 22.94 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 105.241 -2.133 . . . . 0.0 105.241 -173.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 51.55 33.14 9.99 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.305 0.957 . . . . 0.0 112.6 -176.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 71.66 19.5 77.98 Favored Glycine 0 CA--C 1.532 1.116 0 CA-C-O 119.114 -0.826 . . . . 0.0 113.765 176.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -141.61 164.55 29.92 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.921 1.289 . . . . 0.0 108.325 177.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -112.41 142.77 44.55 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 119.577 1.08 . . . . 0.0 111.007 -169.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -143.21 132.28 23.03 Favored 'General case' 0 N--CA 1.461 0.075 0 N-CA-C 106.85 -1.537 . . . . 0.0 106.85 -171.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 88.1 m95 -81.06 130.16 34.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 118.63 0.65 . . . . 0.0 109.95 177.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -133.32 166.73 21.82 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.058 1.343 . . . . 0.0 107.497 169.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -115.43 167.6 10.73 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.999 1.32 . . . . 0.0 110.3 -178.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 23.5 ttp-105 -42.96 -56.39 3.32 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 119.966 1.257 . . . . 0.0 113.516 -172.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 1.9 ppp? -73.44 -12.26 60.74 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 120.71 1.595 . . . . 0.0 113.899 -175.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -92.36 -3.01 55.98 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.928 1.691 . . . . 0.0 110.936 169.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 58.2 t -120.98 89.82 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.586 0 N-CA-C 106.166 -1.79 . . . . 0.0 106.166 175.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 8.6 pt -108.15 166.04 4.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 -173.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 6.0 mt -111.41 120.07 40.94 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 -173.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 1.2 m -58.76 149.0 27.58 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 107.307 -1.368 . . . . 0.0 107.307 169.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.0 pp -53.13 -41.83 65.43 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 -168.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -66.13 -33.11 75.03 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.117 0.484 . . . . 0.0 109.811 -177.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -77.51 -47.78 18.69 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 -178.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -52.32 -37.04 47.12 Favored Glycine 0 C--N 1.34 0.771 0 CA-C-N 118.541 0.609 . . . . 0.0 112.054 173.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -58.48 -45.46 88.63 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 117.863 0.832 . . . . 0.0 111.743 176.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -64.05 -18.19 64.1 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 123.001 0.52 . . . . 0.0 112.09 -178.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.3 mp -94.29 -29.58 14.98 Favored 'General case' 0 C--N 1.341 0.205 0 C-N-CA 124.17 0.988 . . . . 0.0 110.386 173.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -56.22 -39.0 71.82 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 124.873 1.269 . . . . 0.0 111.955 -175.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -59.55 -20.34 54.95 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 118.183 -0.913 . . . . 0.0 113.46 178.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -114.42 -47.73 2.91 Favored 'General case' 0 C--N 1.345 0.396 0 CA-C-N 120.091 1.314 . . . . 0.0 111.822 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.6 m-30 -91.68 -10.03 41.71 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 124.587 1.155 . . . . 0.0 112.507 -170.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -51.7 129.95 34.61 Favored Glycine 0 CA--C 1.529 0.962 0 C-N-CA 125.597 1.57 . . . . 0.0 110.442 175.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1602 ' ' LEU . . . . . 0.567 HD22 HD23 ' A' 1534 ' ' LEU . 1.2 mt . . . . . 0 N--CA 1.465 0.29 0 CA-C-N 118.098 0.949 . . . . 0.0 109.473 173.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 77.1 m-85 . . . . . 0 C--O 1.223 -0.292 0 CA-C-O 121.119 0.485 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 6.0 t -61.8 116.74 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 C-N-CA 125.558 1.543 . . . . 0.0 108.738 -172.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 110.29 -19.85 26.46 Favored Glycine 0 CA--C 1.53 0.983 0 C-N-CA 124.863 1.22 . . . . 0.0 112.749 179.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 10.0 mp -74.89 138.8 42.68 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 118.863 1.331 . . . . 0.0 110.594 -173.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 71.0 mtm180 -76.79 125.4 29.21 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 106.124 -1.806 . . . . 0.0 106.124 168.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 18.4 m -145.7 -170.29 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 C-N-CA 125.773 1.629 . . . . 0.0 107.85 -174.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 5.3 t -126.54 149.01 31.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 105.524 -2.028 . . . . 0.0 105.524 170.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -146.27 150.73 36.34 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 124.474 1.11 . . . . 0.0 108.56 -169.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 74.4 tttt -83.08 128.21 34.27 Favored 'General case' 0 CA--C 1.508 -0.641 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 178.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 42.1 t-105 . . . . . 0 N--CA 1.446 -0.646 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 169.536 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 14.3 m-30 . . . . . 0 C--O 1.236 0.354 0 CA-C-O 121.511 0.672 . . . . 0.0 110.582 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -85.18 109.99 18.69 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 107.078 -1.453 . . . . 0.0 107.078 172.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -101.52 149.13 24.4 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 124.539 1.136 . . . . 0.0 108.385 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 7.1 m -71.88 147.55 46.99 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 122.979 0.512 . . . . 0.0 110.257 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -171.26 -176.83 40.64 Favored Glycine 0 CA--C 1.522 0.521 0 CA-C-O 121.663 0.591 . . . . 0.0 112.17 -174.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 39.4 mtmt -131.54 128.11 38.6 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 106.265 -1.754 . . . . 0.0 106.265 -171.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 14.2 mt -72.02 134.78 29.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 -179.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 49.4 p -109.24 -36.05 6.13 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 122.865 0.466 . . . . 0.0 110.8 -172.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -167.78 142.86 3.77 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.953 0.901 . . . . 0.0 111.103 175.206 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 5.9 t0 -70.4 102.35 2.16 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 124.859 1.263 . . . . 0.0 107.672 168.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.5 t -64.0 -50.73 75.93 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 N-CA-C 108.995 -0.742 . . . . 0.0 108.995 -175.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 146.45 163.96 10.7 Favored Glycine 0 C--N 1.337 0.616 0 N-CA-C 109.78 -1.328 . . . . 0.0 109.78 179.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 60.08 5.79 0.84 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.265 1.426 . . . . 0.0 114.677 178.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 105.76 -6.75 41.29 Favored Glycine 0 C--N 1.34 0.754 0 C-N-CA 124.91 1.243 . . . . 0.0 111.254 -173.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -74.85 139.07 42.94 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 120.482 2.141 . . . . 0.0 107.945 169.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -127.91 137.14 52.19 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 105.149 -2.167 . . . . 0.0 105.149 169.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -83.7 137.87 33.57 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 176.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 2.9 mm? -124.98 118.18 25.67 Favored 'General case' 0 CA--C 1.511 -0.54 0 C-N-CA 124.916 1.286 . . . . 0.0 108.669 -169.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 46.5 tp -83.74 94.56 8.18 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 104.402 -2.444 . . . . 0.0 104.402 169.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -58.89 154.15 15.77 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 173.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -68.85 -21.89 64.25 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.862 -0.524 . . . . 0.0 112.037 -173.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 34.9 p-10 -76.34 0.88 17.87 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.747 1.219 . . . . 0.0 112.438 170.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 94.94 -0.91 64.85 Favored Glycine 0 CA--C 1.53 1.026 0 C-N-CA 125.803 1.668 . . . . 0.0 113.818 169.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -75.47 156.64 35.03 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.04 0.92 . . . . 0.0 109.128 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -141.06 118.08 11.2 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 -178.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 97.7 m -142.56 164.28 30.54 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 125.228 1.411 . . . . 0.0 107.906 173.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -80.6 143.08 33.44 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 170.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 79.2 t -140.33 139.67 35.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 106.666 -1.605 . . . . 0.0 106.666 176.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 5.8 mt -76.22 150.74 37.02 Favored 'General case' 0 C--O 1.22 -0.451 0 C-N-CA 123.376 0.67 . . . . 0.0 112.012 179.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -55.72 -38.11 71.39 Favored Glycine 0 C--N 1.334 0.46 0 C-N-CA 124.559 1.076 . . . . 0.0 112.954 -177.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -26.08 64.33 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 118.275 1.037 . . . . 0.0 112.454 176.016 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -97.86 18.36 16.02 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.267 1.427 . . . . 0.0 112.542 -174.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -128.95 136.03 60.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 N-CA-C 106.469 -1.678 . . . . 0.0 106.469 -178.007 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 67.7 mt -117.12 114.32 23.54 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 104.284 -2.488 . . . . 0.0 104.284 -173.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1534 ' ' LEU . . . . . 0.556 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -111.88 -2.87 15.05 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 116.27 1.952 . . . . 0.0 116.27 -169.524 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 24.4 p -130.29 56.21 1.77 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 104.423 -2.436 . . . . 0.0 104.423 179.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -98.96 15.75 0.05 OUTLIER Pre-proline 0 CA--C 1.542 0.639 0 N-CA-C 121.034 3.716 . . . . 0.0 121.034 -167.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -55.12 117.45 4.04 Favored 'Trans proline' 0 C--N 1.354 0.858 0 CA-C-N 125.177 2.885 . . . . 0.0 106.311 169.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 4.7 mm -60.94 125.19 82.91 Favored Pre-proline 0 CA--C 1.54 0.561 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 -168.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -62.76 142.11 87.77 Favored 'Trans proline' 0 N--CA 1.456 -0.726 0 C-N-CA 121.918 1.745 . . . . 0.0 110.121 173.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1540 ' ' LEU . . . . . 0.476 ' H ' HD12 ' A' 1540 ' ' LEU . 3.9 mp -57.7 148.44 24.65 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 169.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 23.1 t70 75.57 -6.07 2.05 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.98 2.112 . . . . 0.0 113.436 -176.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 23.0 m -68.96 138.48 54.61 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 169.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -82.86 140.1 33.09 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 107.143 -1.428 . . . . 0.0 107.143 172.195 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 1.7 m -147.24 160.38 8.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 C-N-CA 124.289 1.036 . . . . 0.0 108.739 -174.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 3.6 m -89.23 130.86 35.57 Favored 'General case' 0 N--CA 1.441 -0.891 0 N-CA-C 105.251 -2.129 . . . . 0.0 105.251 169.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -96.21 140.42 30.92 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 107.436 -1.32 . . . . 0.0 107.436 170.045 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.39 99.75 4.05 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 -171.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 11.9 m -60.15 121.7 12.57 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 103.968 -2.604 . . . . 0.0 103.968 168.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -45.38 -32.37 2.05 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 125.669 1.587 . . . . 0.0 114.975 -168.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 38.8 t70 -67.9 -39.59 83.57 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 117.722 -1.132 . . . . 0.0 113.019 -179.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 173.58 -30.38 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.444 1.498 . . . . 0.0 114.757 173.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -54.82 128.86 34.94 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 123.89 0.876 . . . . 0.0 112.035 -168.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 2.7 t80 -124.25 127.35 47.55 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 124.897 1.279 . . . . 0.0 111.703 -168.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 4.0 p -151.75 177.49 10.34 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.154 1.382 . . . . 0.0 109.291 169.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -132.27 156.24 46.87 Favored 'General case' 0 CA--C 1.532 0.275 0 O-C-N 120.621 -1.299 . . . . 0.0 110.995 173.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.42 -163.09 23.87 Favored Glycine 0 CA--C 1.525 0.694 0 C-N-CA 126.508 2.004 . . . . 0.0 108.892 -170.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 4.0 t -130.54 142.52 43.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-N 119.127 1.464 . . . . 0.0 109.71 -171.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 85.9 t -66.54 126.17 25.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 173.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 87.3 mttt -133.21 21.07 4.04 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.878 0.871 . . . . 0.0 111.422 169.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -178.41 173.64 46.01 Favored Glycine 0 C--N 1.34 0.755 0 O-C-N 121.337 -0.852 . . . . 0.0 112.04 169.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 13.1 m80 -138.85 152.95 48.25 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 126.525 1.93 . . . . 0.0 110.166 -175.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 33.5 ttt85 . . . . . 0 C--O 1.231 0.09 0 N-CA-C 106.886 -1.524 . . . . 0.0 106.886 169.63 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 49.6 tp . . . . . 0 CA--C 1.518 -0.283 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -130.35 157.17 43.28 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 125.743 1.617 . . . . 0.0 109.431 -172.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -141.38 132.76 26.7 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 -174.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 14.9 t -82.57 106.95 14.84 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 102.202 -3.259 . . . . 0.0 102.202 168.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 25.8 mm -88.9 123.59 41.25 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 N-CA-C 105.418 -2.067 . . . . 0.0 105.418 171.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -84.4 118.31 24.17 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 104.047 -2.575 . . . . 0.0 104.047 168.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -144.45 135.11 24.79 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 105.405 -2.072 . . . . 0.0 105.405 -169.512 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 50.83 34.18 9.82 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 119.269 0.94 . . . . 0.0 112.066 -170.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 69.69 20.27 75.63 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 119.048 -0.862 . . . . 0.0 113.932 176.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -142.19 157.27 45.05 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 118.598 1.199 . . . . 0.0 108.98 178.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -98.11 132.36 43.71 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.635 0.774 . . . . 0.0 109.227 -169.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -140.83 128.88 22.04 Favored 'General case' 0 N--CA 1.457 -0.078 0 N-CA-C 106.758 -1.571 . . . . 0.0 106.758 -169.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 92.8 m95 -81.19 124.56 29.38 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 177.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -126.24 162.56 25.17 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 169.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -107.82 167.09 10.22 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.648 1.179 . . . . 0.0 110.591 -176.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -49.38 -44.17 44.73 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 119.905 1.229 . . . . 0.0 113.638 -176.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -72.99 -18.33 61.37 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 121.518 1.963 . . . . 0.0 113.934 178.325 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -95.27 -4.3 45.9 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 126.75 2.02 . . . . 0.0 110.825 176.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 87.7 t -120.21 90.39 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 N-CA-C 104.269 -2.493 . . . . 0.0 104.269 179.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 11.7 pt -110.91 159.17 11.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 106.566 -1.642 . . . . 0.0 106.566 -171.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 3.3 mt -103.44 114.24 28.37 Favored 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 -174.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.11 145.69 12.86 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 169.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.4 pp -53.71 -37.75 63.59 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 114.182 1.178 . . . . 0.0 114.182 -168.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 31.2 tp10 -66.78 -37.65 85.0 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 121.647 -0.658 . . . . 0.0 110.146 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -71.51 -49.25 42.82 Favored 'General case' 0 C--O 1.224 -0.246 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 -178.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -63.03 -28.37 71.97 Favored Glycine 0 C--N 1.34 0.765 0 CA-C-O 119.178 -0.79 . . . . 0.0 111.99 -178.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -59.84 -43.19 94.73 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 118.832 1.316 . . . . 0.0 111.615 173.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 20.3 mtt-85 -63.56 -16.92 62.15 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.546 0.572 . . . . 0.0 112.546 177.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 9.0 mp -93.99 -29.69 15.1 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 124.288 1.035 . . . . 0.0 110.708 171.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 67.5 ttp85 -57.58 -38.86 75.55 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.578 1.151 . . . . 0.0 111.642 -175.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -58.32 -21.6 49.99 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 118.144 -0.931 . . . . 0.0 113.15 178.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -115.16 -45.98 2.92 Favored 'General case' 0 C--N 1.346 0.43 0 CA-C-N 119.905 1.23 . . . . 0.0 112.243 178.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 9.2 m-30 -92.55 -8.68 43.73 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 124.482 1.113 . . . . 0.0 112.777 -169.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -53.14 131.34 41.59 Favored Glycine 0 CA--C 1.527 0.827 0 C-N-CA 125.791 1.662 . . . . 0.0 110.881 175.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1602 ' ' LEU . . . . . 0.556 HD22 HD23 ' A' 1534 ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.342 0.244 0 CA-C-N 118.497 1.148 . . . . 0.0 109.288 173.496 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 89.5 m-85 . . . . . 0 N--CA 1.466 0.364 0 N-CA-C 113.596 0.961 . . . . 0.0 113.596 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 5.2 t -57.51 113.29 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 C-N-CA 125.457 1.503 . . . . 0.0 108.656 -174.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 117.83 -23.36 9.47 Favored Glycine 0 CA--C 1.533 1.194 0 C-N-CA 125.671 1.605 . . . . 0.0 112.536 178.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 8.8 mp -75.24 139.61 42.68 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 118.904 1.352 . . . . 0.0 111.329 -172.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 49.8 mtp180 -79.52 127.03 31.64 Favored 'General case' 0 CA--C 1.529 0.148 0 N-CA-C 105.166 -2.161 . . . . 0.0 105.166 167.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 18.5 m -143.44 -178.29 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 C-N-CA 125.778 1.631 . . . . 0.0 107.181 -174.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 5.0 t -115.52 143.67 24.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 104.945 -2.243 . . . . 0.0 104.945 169.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -146.47 153.15 40.1 Favored 'General case' 0 CA--C 1.516 -0.328 0 C-N-CA 123.815 0.846 . . . . 0.0 108.935 -169.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 84.1 tttt -80.74 133.84 35.73 Favored 'General case' 0 CA--C 1.509 -0.601 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 178.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 13.6 t-105 . . . . . 0 N--CA 1.447 -0.601 0 N-CA-C 105.258 -2.127 . . . . 0.0 105.258 169.478 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 3.5 m-30 . . . . . 0 N--CA 1.474 0.743 0 CA-C-O 121.198 0.523 . . . . 0.0 110.633 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -111.51 119.77 39.88 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 -169.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -116.39 154.09 30.88 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 125.029 1.331 . . . . 0.0 108.549 -172.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 5.3 m -65.17 144.19 57.37 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 123.055 0.542 . . . . 0.0 110.742 173.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -169.29 178.97 42.18 Favored Glycine 0 N--CA 1.451 -0.344 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 178.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -125.34 128.36 48.08 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 125.67 1.588 . . . . 0.0 106.729 -173.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 20.4 mt -73.03 128.94 36.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 106.762 -1.57 . . . . 0.0 106.762 -178.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 69.5 p -104.6 -36.11 7.6 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 123.027 0.531 . . . . 0.0 110.178 -170.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -167.33 141.67 3.76 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.987 0.915 . . . . 0.0 111.535 176.599 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 7.2 t0 -70.06 103.68 2.35 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 125.06 1.344 . . . . 0.0 107.601 168.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.6 t -65.63 -50.47 71.36 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 C-N-CA 123.631 0.772 . . . . 0.0 109.311 -176.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 149.2 162.94 10.66 Favored Glycine 0 C--N 1.337 0.639 0 N-CA-C 109.65 -1.38 . . . . 0.0 109.65 177.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.61 11.2 0.82 Allowed 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 115.11 1.522 . . . . 0.0 115.11 177.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 102.32 -4.94 51.83 Favored Glycine 0 CA--C 1.524 0.632 0 C-N-CA 124.891 1.234 . . . . 0.0 111.545 -176.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 11.5 mtpp -75.44 133.99 40.98 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 120.606 2.203 . . . . 0.0 106.49 169.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -124.98 138.76 54.22 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 105.659 -1.978 . . . . 0.0 105.659 169.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -84.37 138.35 32.91 Favored 'General case' 0 CA--C 1.512 -0.506 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 176.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.2 mm? -125.65 118.47 25.73 Favored 'General case' 0 CA--C 1.512 -0.494 0 C-N-CA 125.018 1.327 . . . . 0.0 108.945 -169.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 41.1 tp -84.1 93.62 8.16 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 105.108 -2.182 . . . . 0.0 105.108 169.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -57.52 151.3 17.07 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 123.065 0.546 . . . . 0.0 109.567 174.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -69.32 -19.77 63.87 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.555 -171.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 38.1 p30 -80.49 2.49 25.08 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.026 1.331 . . . . 0.0 112.493 170.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 102.02 -3.79 52.13 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 125.502 1.525 . . . . 0.0 114.59 169.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -82.07 158.6 23.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 118.641 1.22 . . . . 0.0 110.476 -174.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -141.04 117.71 10.96 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 -176.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 99.5 m -144.68 167.97 21.3 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 126.257 1.823 . . . . 0.0 107.952 174.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -97.86 144.17 27.72 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 123.779 0.832 . . . . 0.0 109.931 177.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 86.1 t -144.41 136.16 21.76 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.367 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -170.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.9 mt -72.99 151.59 41.72 Favored 'General case' 0 CA--C 1.511 -0.53 0 C-N-CA 122.941 0.497 . . . . 0.0 111.528 178.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -56.67 -33.58 63.1 Favored Glycine 0 CA--C 1.526 0.752 0 C-N-CA 124.013 0.816 . . . . 0.0 112.896 178.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.16 -12.97 14.53 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.746 0.819 . . . . 0.0 112.781 174.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -120.77 22.61 11.08 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 126.233 1.813 . . . . 0.0 110.595 -173.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -133.1 137.7 53.04 Favored 'Isoleucine or valine' 0 C--N 1.346 0.427 0 N-CA-C 106.86 -1.533 . . . . 0.0 106.86 179.125 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 72.6 mt -119.25 114.09 21.87 Favored 'General case' 0 CA--C 1.52 -0.207 0 N-CA-C 104.481 -2.414 . . . . 0.0 104.481 -176.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1534 ' ' LEU . . . . . 0.574 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -109.06 -3.73 17.17 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 116.586 2.069 . . . . 0.0 116.586 -168.754 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 17.2 p -132.21 49.06 2.35 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 106.793 -1.558 . . . . 0.0 106.793 -177.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 50.7 t0 -115.76 65.14 2.43 Favored Pre-proline 0 C--O 1.238 0.462 0 N-CA-C 116.351 1.982 . . . . 0.0 116.351 -168.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -73.37 123.41 8.68 Favored 'Trans proline' 0 CA--C 1.544 0.981 1 N-CA-C 100.073 -4.626 . . . . 0.0 100.073 165.314 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1538 ' ' ILE . . . . . 0.564 HG21 HG11 ' A' 1544 ' ' VAL . 5.2 mm -59.54 121.0 53.84 Favored Pre-proline 0 CA--C 1.541 0.597 0 CA-C-N 119.506 1.048 . . . . 0.0 109.307 -167.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -62.35 145.93 95.81 Favored 'Trans proline' 0 N--CA 1.451 -0.978 0 C-N-CA 121.776 1.651 . . . . 0.0 110.461 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1540 ' ' LEU . . . . . 0.461 ' H ' HD12 ' A' 1540 ' ' LEU . 4.2 mp -60.52 148.45 37.81 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 169.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 25.3 t70 73.28 -4.83 2.1 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 127.16 2.184 . . . . 0.0 113.712 -175.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 25.0 m -68.72 132.53 46.99 Favored 'General case' 0 C--O 1.238 0.483 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 172.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -75.87 136.91 40.14 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 106.985 -1.487 . . . . 0.0 106.985 169.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1544 ' ' VAL . . . . . 0.564 HG11 HG21 ' A' 1538 ' ' ILE . 2.6 m -148.55 162.54 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 C-N-CA 124.559 1.144 . . . . 0.0 109.695 -174.591 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 3.5 m -89.13 130.19 35.61 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 105.821 -1.918 . . . . 0.0 105.821 169.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -97.07 138.64 34.28 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 171.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.4 99.29 3.8 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 123.55 0.74 . . . . 0.0 110.567 -169.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 18.4 m -61.93 122.93 16.67 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 104.258 -2.497 . . . . 0.0 104.258 169.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -51.63 -23.24 4.09 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 116.19 1.922 . . . . 0.0 116.19 -168.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 35.5 t70 -65.77 -53.41 40.79 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 119.259 0.936 . . . . 0.0 110.901 174.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -178.8 -20.67 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 169.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -53.2 126.37 20.7 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 119.93 1.241 . . . . 0.0 111.551 -169.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 11.2 t80 -122.45 128.52 50.98 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 124.339 1.056 . . . . 0.0 111.393 -168.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 2.6 p -151.63 176.92 10.88 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.956 1.302 . . . . 0.0 109.208 169.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -131.18 153.6 49.26 Favored 'General case' 0 CA--C 1.529 0.172 0 O-C-N 121.194 -0.941 . . . . 0.0 110.484 170.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -168.49 -159.65 14.6 Favored Glycine 0 CA--C 1.525 0.678 0 C-N-CA 126.414 1.959 . . . . 0.0 108.38 -169.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.3 t -132.67 142.02 43.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 CA-C-N 118.831 1.315 . . . . 0.0 110.109 -173.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 63.8 t -65.54 128.37 28.26 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.145 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 171.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 81.4 mttt -130.68 16.51 5.32 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.256 0.935 . . . . 0.0 111.941 169.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 179.77 179.74 48.79 Favored Glycine 0 C--N 1.335 0.513 0 O-C-N 121.458 -0.776 . . . . 0.0 111.942 172.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 9.0 m80 -141.97 155.65 45.45 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 126.378 1.871 . . . . 0.0 110.948 -173.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 56.9 ttt180 . . . . . 0 CA--C 1.526 0.035 0 C-N-CA 125.673 1.589 . . . . 0.0 107.595 170.372 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 37.8 tp . . . . . 0 N--CA 1.444 -0.771 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -124.27 155.76 38.07 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 125.234 1.414 . . . . 0.0 108.903 -173.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1570 ' ' TYR . . . . . 0.447 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 62.3 m-85 -140.13 127.43 21.23 Favored 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 106.119 -1.808 . . . . 0.0 106.119 -173.675 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.1 p -85.2 96.77 9.59 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 104.688 -2.338 . . . . 0.0 104.688 169.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 40.9 mm -77.41 133.55 30.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 105.865 -1.902 . . . . 0.0 105.865 176.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -96.45 129.34 43.83 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 105.227 -2.138 . . . . 0.0 105.227 168.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 25.4 ttpt -144.7 141.17 29.1 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 105.642 -1.984 . . . . 0.0 105.642 178.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 52.45 25.31 3.46 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 119.466 1.03 . . . . 0.0 113.106 -177.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 71.2 22.79 78.53 Favored Glycine 0 CA--C 1.531 1.091 0 O-C-N 121.436 -0.79 . . . . 0.0 113.142 -179.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -129.33 147.39 51.16 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 173.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 82.3 mtm-85 -98.71 136.16 39.17 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 -178.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -140.14 130.43 25.21 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 106.342 -1.725 . . . . 0.0 106.342 -169.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 88.5 m95 -80.49 130.72 35.32 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 178.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -132.74 161.57 33.68 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.869 1.268 . . . . 0.0 107.756 169.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -105.57 165.85 10.86 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.918 1.287 . . . . 0.0 109.736 -177.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 46.0 ttt180 -49.89 -49.33 50.01 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-N 120.327 1.422 . . . . 0.0 112.896 -173.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 3.1 ppp? -70.29 -14.86 62.78 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 120.414 1.461 . . . . 0.0 114.135 -179.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -93.79 -2.86 53.05 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 126.227 1.811 . . . . 0.0 110.825 172.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 60.7 t -119.79 91.38 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.621 0 N-CA-C 105.796 -1.928 . . . . 0.0 105.796 177.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 8.2 pt -112.84 168.13 5.53 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 -172.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 5.1 mt -121.07 124.5 44.94 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 -171.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 5.0 m -61.38 148.12 42.61 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 106.507 -1.664 . . . . 0.0 106.507 169.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.7 pp -55.79 -37.61 68.81 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.467 -0.771 . . . . 0.0 112.702 -169.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -77.41 -23.52 50.62 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 121.633 -0.667 . . . . 0.0 110.745 -175.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -71.65 -49.29 41.25 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 107.159 -1.423 . . . . 0.0 107.159 170.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -63.22 -29.25 73.89 Favored Glycine 0 C--N 1.339 0.744 0 C-N-CA 123.789 0.709 . . . . 0.0 112.681 -177.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -58.03 -41.44 83.18 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 118.691 1.245 . . . . 0.0 111.39 175.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -58.61 -26.15 63.38 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 118.952 0.796 . . . . 0.0 112.022 177.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 7.5 mp -91.43 -28.32 17.72 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 124.405 1.082 . . . . 0.0 110.535 178.014 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -56.6 -41.35 76.86 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.954 1.302 . . . . 0.0 110.488 -175.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -59.47 -18.29 38.53 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.939 1.088 . . . . 0.0 113.939 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -115.16 -48.61 2.81 Favored 'General case' 0 C--N 1.345 0.412 0 CA-C-N 120.272 1.396 . . . . 0.0 112.177 176.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -92.39 -10.94 36.3 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 124.593 1.157 . . . . 0.0 112.176 -170.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -54.17 131.07 45.05 Favored Glycine 0 CA--C 1.522 0.491 0 C-N-CA 125.444 1.497 . . . . 0.0 110.105 177.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1602 ' ' LEU . . . . . 0.574 HD22 HD23 ' A' 1534 ' ' LEU . 0.4 OUTLIER . . . . . 0 C--O 1.233 0.194 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 171.139 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 93.4 m-85 . . . . . 0 N--CA 1.466 0.359 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 5.2 t -57.36 114.71 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 C-N-CA 125.272 1.429 . . . . 0.0 108.988 -175.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 113.86 -18.26 19.51 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 125.315 1.436 . . . . 0.0 112.845 178.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 10.1 mp -77.31 138.79 39.57 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 118.831 1.316 . . . . 0.0 110.792 -173.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 57.0 mtm180 -78.65 126.64 31.02 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 105.482 -2.044 . . . . 0.0 105.482 168.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 17.1 m -145.55 -176.74 0.64 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.397 0 C-N-CA 125.091 1.356 . . . . 0.0 107.465 -173.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 3.4 t -118.4 144.71 25.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 105.419 -2.067 . . . . 0.0 105.419 169.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -146.5 152.16 38.55 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.178 0.991 . . . . 0.0 109.142 -169.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 79.7 tttt -82.21 131.07 35.23 Favored 'General case' 0 CA--C 1.513 -0.453 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 178.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 26.5 t-105 . . . . . 0 N--CA 1.45 -0.431 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 169.318 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A 1500 ' ' TYR . . . . . 0.441 ' CG ' ' HA ' ' A' 1589 ' ' SER . 13.4 m-30 . . . . . 0 C--O 1.234 0.269 0 CA-C-O 121.502 0.668 . . . . 0.0 110.597 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 2.8 m-30 -92.84 108.9 20.35 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.447 -1.686 . . . . 0.0 106.447 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -101.65 155.92 17.81 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.892 1.277 . . . . 0.0 107.729 -178.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 6.0 m -71.33 148.96 46.56 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 121.55 -0.719 . . . . 0.0 111.334 176.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -165.39 -179.45 39.19 Favored Glycine 0 C--N 1.333 0.397 0 N-CA-C 112.164 -0.375 . . . . 0.0 112.164 174.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.97 135.89 53.55 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 106.2 -1.778 . . . . 0.0 106.2 175.073 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 17.8 mt -72.87 132.08 33.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 175.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 72.6 p -107.46 -36.79 6.39 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 123.106 0.562 . . . . 0.0 110.637 -171.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -165.45 141.07 5.19 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 123.894 0.878 . . . . 0.0 111.265 175.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 7.0 t0 -69.36 103.91 2.12 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 125.014 1.326 . . . . 0.0 107.802 168.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.4 t -66.4 -50.28 68.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 -176.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 146.32 164.47 10.97 Favored Glycine 0 C--N 1.34 0.798 0 N-CA-C 109.714 -1.354 . . . . 0.0 109.714 178.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 59.1 7.15 0.79 Allowed 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 177.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 105.27 -6.86 42.95 Favored Glycine 0 C--N 1.338 0.646 0 C-N-CA 124.412 1.006 . . . . 0.0 111.205 -173.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 42.3 mtmt -75.69 136.69 40.37 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 120.468 2.134 . . . . 0.0 107.41 169.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -127.33 137.26 52.76 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 105.099 -2.186 . . . . 0.0 105.099 169.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -82.93 139.25 33.48 Favored 'General case' 0 CA--C 1.51 -0.565 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 176.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 2.9 mm? -125.12 119.85 29.76 Favored 'General case' 0 CA--C 1.51 -0.585 0 C-N-CA 124.961 1.304 . . . . 0.0 108.659 -169.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 32.1 tp -84.38 95.88 8.89 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 103.835 -2.654 . . . . 0.0 103.835 169.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -58.9 144.47 44.53 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 171.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -65.86 -19.16 65.78 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -170.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -79.33 -0.1 31.15 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.974 1.309 . . . . 0.0 113.649 173.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 108.99 -3.69 31.76 Favored Glycine 0 CA--C 1.531 1.064 0 C-N-CA 125.495 1.521 . . . . 0.0 114.2 169.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -85.65 157.74 20.26 Favored 'General case' 0 CA--C 1.528 0.106 0 CA-C-N 118.165 0.982 . . . . 0.0 110.112 -173.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -141.37 121.62 13.91 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 -178.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 57.4 m -147.86 167.81 23.82 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.501 1.521 . . . . 0.0 107.986 171.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -85.87 143.12 28.41 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 175.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 91.2 t -141.14 137.83 33.8 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 N-CA-C 107.613 -1.254 . . . . 0.0 107.613 -179.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 7.0 mt -77.55 152.65 33.93 Favored 'General case' 0 CA--C 1.512 -0.509 0 C-N-CA 123.31 0.644 . . . . 0.0 111.889 179.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -56.72 -37.13 75.18 Favored Glycine 0 CA--C 1.522 0.52 0 C-N-CA 123.918 0.771 . . . . 0.0 113.171 -178.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -8.0 18.12 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 175.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -116.22 22.29 13.0 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.658 1.583 . . . . 0.0 111.725 -179.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -133.82 139.43 48.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 179.357 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 72.7 mt -120.32 115.36 23.4 Favored 'General case' 0 CA--C 1.52 -0.196 0 N-CA-C 104.756 -2.313 . . . . 0.0 104.756 -177.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1534 ' ' LEU . . . . . 0.542 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -109.16 -3.14 17.53 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 116.633 2.086 . . . . 0.0 116.633 -168.891 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 23.9 p -135.63 50.07 2.13 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 106.195 -1.779 . . . . 0.0 106.195 -177.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 48.5 t0 -114.54 57.59 0.92 Allowed Pre-proline 0 CA--C 1.541 0.599 0 N-CA-C 115.81 1.781 . . . . 0.0 115.81 -168.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -68.1 121.57 8.58 Favored 'Trans proline' 0 CA--C 1.543 0.93 1 N-CA-C 100.626 -4.413 . . . . 0.0 100.626 166.347 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 5.0 mm -59.56 122.64 66.1 Favored Pre-proline 0 CA--C 1.54 0.558 0 CA-C-N 118.886 0.766 . . . . 0.0 109.091 -167.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -61.43 144.8 98.4 Favored 'Trans proline' 0 N--CA 1.452 -0.939 0 C-N-CA 121.801 1.667 . . . . 0.0 110.637 177.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1540 ' ' LEU . . . . . 0.478 ' H ' HD12 ' A' 1540 ' ' LEU . 3.9 mp -59.89 148.58 34.39 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 169.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 22.2 t70 74.91 -5.31 2.18 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.878 2.071 . . . . 0.0 113.638 -175.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 22.0 m -70.17 134.61 48.28 Favored 'General case' 0 C--O 1.238 0.455 0 O-C-N 120.87 -1.144 . . . . 0.0 108.199 170.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -76.15 138.3 40.63 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 170.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 1.2 m -147.61 160.06 8.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 124.768 1.227 . . . . 0.0 109.898 -175.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 3.1 m -89.34 131.02 35.62 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 105.505 -2.035 . . . . 0.0 105.505 169.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -97.22 140.4 31.76 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 171.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.31 98.76 3.68 Favored 'General case' 0 CA--C 1.519 -0.238 0 C-N-CA 123.697 0.799 . . . . 0.0 109.601 -170.198 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 11.1 m -61.47 121.94 13.95 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 105.094 -2.187 . . . . 0.0 105.094 169.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -45.77 -33.49 3.1 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 126.139 1.775 . . . . 0.0 114.954 -168.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 38.9 t70 -64.09 -47.46 79.98 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 118.268 -0.872 . . . . 0.0 111.316 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 177.68 -24.27 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.429 1.492 . . . . 0.0 114.879 170.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -53.71 127.57 26.19 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 119.337 0.972 . . . . 0.0 111.996 -168.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 9.3 t80 -120.94 127.95 52.3 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 124.922 1.289 . . . . 0.0 110.604 -168.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 1.6 p -152.27 177.38 10.62 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.543 1.537 . . . . 0.0 109.058 173.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -136.58 159.23 42.44 Favored 'General case' 0 N--CA 1.468 0.454 0 O-C-N 120.474 -1.391 . . . . 0.0 111.321 173.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -171.51 -159.02 16.74 Favored Glycine 0 CA--C 1.528 0.866 0 C-N-CA 126.075 1.797 . . . . 0.0 108.688 -172.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.2 t -131.59 143.27 40.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-N 118.577 1.189 . . . . 0.0 109.277 -175.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 84.6 t -65.44 126.12 23.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 N-CA-C 108.515 -0.921 . . . . 0.0 108.515 173.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 82.5 mttt -132.05 21.18 4.5 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 119.368 0.985 . . . . 0.0 112.098 170.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 179.2 176.97 47.35 Favored Glycine 0 C--N 1.336 0.576 0 O-C-N 121.519 -0.738 . . . . 0.0 111.432 169.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 9.8 m80 -141.81 154.32 45.12 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 126.669 1.988 . . . . 0.0 110.861 -172.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 54.6 ttt180 . . . . . 0 N--CA 1.461 0.098 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 170.01 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 33.0 tp . . . . . 0 N--CA 1.452 -0.35 0 CA-C-O 121.06 0.457 . . . . 0.0 109.781 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -127.54 157.35 40.39 Favored 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 125.84 1.656 . . . . 0.0 109.139 -174.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -141.61 134.1 28.27 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 106.786 -1.561 . . . . 0.0 106.786 -174.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.44 97.71 11.02 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 104.565 -2.384 . . . . 0.0 104.565 169.569 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 36.5 mm -77.84 129.35 37.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 106.401 -1.703 . . . . 0.0 106.401 178.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -83.58 119.12 24.33 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 103.092 -2.929 . . . . 0.0 103.092 168.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 24.3 ttpt -141.68 135.69 30.13 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 105.011 -2.218 . . . . 0.0 105.011 -172.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 54.58 27.04 7.95 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 123.203 0.601 . . . . 0.0 111.841 -173.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 79.42 14.61 81.22 Favored Glycine 0 CA--C 1.533 1.161 0 CA-C-O 119.128 -0.818 . . . . 0.0 113.444 175.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -142.39 154.45 44.63 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 118.547 1.174 . . . . 0.0 109.594 179.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -81.0 141.27 34.58 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 121.341 -0.85 . . . . 0.0 109.207 -175.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -142.96 129.45 20.12 Favored 'General case' 0 C--O 1.226 -0.142 0 N-CA-C 106.046 -1.835 . . . . 0.0 106.046 -178.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 89.1 m95 -80.59 132.02 35.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 118.936 0.789 . . . . 0.0 109.95 178.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -134.57 166.6 22.53 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.332 1.453 . . . . 0.0 107.852 169.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -109.82 165.16 11.92 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.871 1.268 . . . . 0.0 109.875 -177.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 65.8 ttp85 -42.85 -55.53 3.65 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.642 1.177 . . . . 0.0 113.625 -178.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 2.1 ppp? -71.88 -15.11 62.11 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 120.217 1.371 . . . . 0.0 114.058 -178.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -92.08 -2.14 56.81 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 125.873 1.669 . . . . 0.0 110.9 171.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 89.7 t -120.95 90.15 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.757 0 N-CA-C 105.282 -2.118 . . . . 0.0 105.282 176.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 9.2 pt -107.92 163.61 5.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 -172.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 10.8 mt -115.39 118.82 34.3 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 106.789 -1.56 . . . . 0.0 106.789 -174.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1589 ' ' SER . . . . . 0.441 ' HA ' ' CG ' ' A' 1500 ' ' TYR . 3.4 m -55.96 148.52 17.14 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 169.184 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.3 pp -53.2 -38.32 62.75 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 -168.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 24.3 tp10 -70.29 -40.78 74.08 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 118.993 0.815 . . . . 0.0 109.823 179.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -58.73 -46.31 87.66 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 176.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -66.25 -35.2 90.03 Favored Glycine 0 CA--C 1.525 0.711 0 C-N-CA 123.55 0.595 . . . . 0.0 112.413 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -58.35 -35.53 72.07 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 118.67 1.235 . . . . 0.0 110.431 174.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 -58.76 -17.86 26.79 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 118.715 0.689 . . . . 0.0 112.603 178.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 1.7 mp -110.88 -18.07 13.18 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 124.501 1.12 . . . . 0.0 111.635 178.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -56.17 -38.87 71.5 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.086 0.954 . . . . 0.0 110.272 178.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -56.26 -23.31 35.44 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 117.749 -1.12 . . . . 0.0 113.681 178.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -115.69 -47.26 2.81 Favored 'General case' 0 C--N 1.349 0.548 0 CA-C-N 120.307 1.412 . . . . 0.0 112.484 177.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.0 m-30 -94.02 -7.76 41.8 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 124.348 1.059 . . . . 0.0 112.623 -169.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -54.04 129.97 43.21 Favored Glycine 0 N--CA 1.445 -0.751 0 N-CA-C 109.76 -1.336 . . . . 0.0 109.76 175.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1602 ' ' LEU . . . . . 0.542 HD22 HD23 ' A' 1534 ' ' LEU . 0.4 OUTLIER . . . . . 0 C--O 1.235 0.319 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 170.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 96.6 m-85 . . . . . 0 N--CA 1.466 0.372 0 N-CA-C 113.99 1.108 . . . . 0.0 113.99 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 21.4 t -58.21 112.28 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 C-N-CA 125.164 1.386 . . . . 0.0 109.307 -175.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 119.53 -24.32 8.11 Favored Glycine 0 CA--C 1.53 0.969 0 C-N-CA 125.1 1.333 . . . . 0.0 112.81 -179.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 10.2 mp -74.62 138.94 43.28 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 118.641 1.221 . . . . 0.0 110.751 -173.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -79.78 126.83 31.47 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 105.318 -2.104 . . . . 0.0 105.318 168.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 17.7 m -143.83 -171.46 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 C-N-CA 125.906 1.683 . . . . 0.0 107.905 -174.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1492 ' ' VAL . . . . . 0.408 HG12 ' HB3' ' A' 1501 ' ' PHE . 4.1 t -123.88 146.12 29.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 105.464 -2.05 . . . . 0.0 105.464 169.517 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -145.14 151.62 38.76 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 124.664 1.185 . . . . 0.0 108.7 -170.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 70.7 tttt -83.26 129.0 34.97 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -178.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 19.6 t-105 . . . . . 0 N--CA 1.445 -0.708 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 168.913 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 12.8 m-30 . . . . . 0 C--O 1.236 0.346 0 CA-C-O 121.266 0.555 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A 1501 ' ' PHE . . . . . 0.408 ' HB3' HG12 ' A' 1492 ' ' VAL . 97.1 m-85 -85.69 111.16 19.84 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 174.327 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -101.2 149.04 24.4 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.93 1.292 . . . . 0.0 109.037 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 3.8 m -71.95 147.74 46.68 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.289 0.636 . . . . 0.0 109.998 178.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -174.2 -175.68 42.0 Favored Glycine 0 C--N 1.333 0.38 0 O-C-N 121.722 -0.612 . . . . 0.0 111.965 -175.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -128.7 129.93 46.46 Favored 'General case' 0 CA--C 1.511 -0.533 0 C-N-CA 126.082 1.753 . . . . 0.0 106.825 -172.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 11.9 mt -71.47 133.24 32.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 177.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 42.6 p -109.44 -30.28 8.02 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 123.433 0.693 . . . . 0.0 109.648 -173.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 18.3 ttt-85 -167.48 154.16 8.19 Favored 'General case' 0 CA--C 1.517 -0.311 0 C-N-CA 123.199 0.6 . . . . 0.0 112.016 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 9.9 t70 -84.11 109.71 17.91 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 102.094 -3.299 . . . . 0.0 102.094 166.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.8 t -69.12 -50.17 55.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 -178.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 155.63 160.45 9.97 Favored Glycine 0 C--N 1.339 0.748 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 175.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.46 11.24 0.8 Allowed 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 115.788 1.773 . . . . 0.0 115.788 173.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 110.12 -7.83 31.03 Favored Glycine 0 C--N 1.337 0.585 0 C-N-CA 124.68 1.133 . . . . 0.0 111.105 -177.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.57 140.73 44.61 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 119.974 1.887 . . . . 0.0 107.164 169.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -129.22 136.53 50.24 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 105.503 -2.036 . . . . 0.0 105.503 169.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 29.7 ttpt -83.77 137.17 33.86 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 175.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 2.8 mm? -124.35 118.53 26.94 Favored 'General case' 0 CA--C 1.512 -0.501 0 C-N-CA 124.812 1.245 . . . . 0.0 108.394 -169.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 36.4 tp -83.91 93.89 8.13 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 104.267 -2.494 . . . . 0.0 104.267 169.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -55.83 148.62 16.39 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 172.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -65.53 -17.98 64.97 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -169.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 32.2 p-10 -84.71 -0.08 52.33 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.597 1.559 . . . . 0.0 113.2 173.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 105.88 -2.48 38.6 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 125.12 1.343 . . . . 0.0 114.227 169.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -81.45 154.71 26.22 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.323 1.062 . . . . 0.0 109.64 -176.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -140.98 118.19 11.32 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 -175.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 60.0 m -144.41 161.45 38.98 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.09 1.356 . . . . 0.0 108.036 176.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -79.7 144.36 33.76 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 171.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 81.6 t -142.24 139.96 29.51 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.242 0 C-N-CA 124.684 1.194 . . . . 0.0 107.875 177.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 5.2 mt -77.66 149.78 34.65 Favored 'General case' 0 CA--C 1.513 -0.459 0 O-C-N 121.535 -0.728 . . . . 0.0 112.437 178.175 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -55.11 -37.09 62.68 Favored Glycine 0 C--N 1.332 0.321 0 C-N-CA 124.123 0.868 . . . . 0.0 113.826 -177.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.47 -22.29 64.94 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 118.874 1.337 . . . . 0.0 112.846 176.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -99.65 18.77 17.23 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.459 1.504 . . . . 0.0 111.964 -175.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 1.2 mt -128.51 136.74 59.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 N-CA-C 107.405 -1.332 . . . . 0.0 107.405 -178.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 65.4 mt -119.43 112.02 18.88 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 104.36 -2.459 . . . . 0.0 104.36 -173.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1534 ' ' LEU . . . . . 0.54 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -109.74 -3.3 16.84 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 116.799 2.148 . . . . 0.0 116.799 -169.086 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 24.7 p -128.84 56.21 1.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 104.828 -2.286 . . . . 0.0 104.828 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -98.22 16.71 0.05 OUTLIER Pre-proline 0 CA--C 1.544 0.721 0 N-CA-C 121.301 3.815 . . . . 0.0 121.301 -167.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -56.48 115.62 2.61 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 CA-C-N 125.256 2.913 . . . . 0.0 105.857 168.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 15.7 mm -60.85 123.31 74.38 Favored Pre-proline 0 CA--C 1.534 0.365 0 CA-C-O 118.491 -0.766 . . . . 0.0 109.679 -167.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -64.4 141.69 75.6 Favored 'Trans proline' 0 N--CA 1.454 -0.801 0 C-N-CA 121.764 1.643 . . . . 0.0 109.962 174.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1540 ' ' LEU . . . . . 0.424 ' H ' HD12 ' A' 1540 ' ' LEU . 4.8 mp -58.6 149.03 26.8 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 177.063 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 4.7 t70 77.0 -5.77 2.13 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 126.896 2.079 . . . . 0.0 113.435 -176.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 28.7 m -67.32 139.67 57.25 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 169.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -87.47 139.08 30.91 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 106.696 -1.594 . . . . 0.0 106.696 174.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 1.6 m -147.48 161.52 7.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 C-N-CA 124.499 1.12 . . . . 0.0 108.518 -170.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 8.5 m -89.59 140.48 29.51 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 105.987 -1.857 . . . . 0.0 105.987 169.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -113.37 141.17 47.37 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 106.738 -1.578 . . . . 0.0 106.738 174.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 3.7 mt -138.7 108.04 6.13 Favored 'General case' 0 CA--C 1.513 -0.443 0 C-N-CA 124.283 1.033 . . . . 0.0 108.524 -174.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 2.4 m -65.97 156.48 33.49 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 106.281 -1.748 . . . . 0.0 106.281 168.299 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -67.09 14.13 0.05 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.896 1.678 . . . . 0.0 114.755 -169.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 22.8 t0 -143.12 54.06 1.36 Allowed 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.583 1.553 . . . . 0.0 109.724 178.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1551 ' ' GLU . . . . . . . . . . . . 0.276 7.5 pt-20 54.94 22.4 4.3 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 117.126 2.269 . . . . 0.0 117.126 174.01 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -76.64 77.63 3.3 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 169.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 8.6 t80 -66.03 131.07 45.34 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 125.387 1.475 . . . . 0.0 110.146 170.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 4.6 p -152.39 177.37 10.67 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.005 1.722 . . . . 0.0 108.551 169.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -139.8 155.7 47.13 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 120.434 1.47 . . . . 0.0 111.152 172.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.43 -162.24 22.41 Favored Glycine 0 CA--C 1.53 0.998 0 C-N-CA 126.22 1.867 . . . . 0.0 108.784 -172.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.3 t -129.69 143.54 40.79 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.364 0 CA-C-N 118.599 1.2 . . . . 0.0 109.207 -173.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 99.1 t -66.33 126.02 24.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 172.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -127.57 13.46 7.0 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 118.902 0.774 . . . . 0.0 111.122 170.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 178.91 -179.91 48.77 Favored Glycine 0 C--N 1.337 0.603 0 CA-C-N 118.762 0.71 . . . . 0.0 112.353 173.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 13.2 m80 -141.44 154.37 45.54 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 126.652 1.981 . . . . 0.0 110.621 -172.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 . . . . . 0 N--CA 1.461 0.081 0 C-N-CA 125.538 1.535 . . . . 0.0 107.521 169.977 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 52.1 tp . . . . . 0 N--CA 1.445 -0.681 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -124.9 156.55 37.75 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 124.909 1.284 . . . . 0.0 108.784 -174.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -138.09 129.6 27.9 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 106.419 -1.697 . . . . 0.0 106.419 -176.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.2 p -85.49 96.66 9.68 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 104.82 -2.289 . . . . 0.0 104.82 169.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 40.8 mm -79.21 127.59 38.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 N-CA-C 106.315 -1.735 . . . . 0.0 106.315 178.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -84.26 120.91 26.79 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 103.64 -2.726 . . . . 0.0 103.64 168.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 24.1 ttpt -143.51 133.28 23.85 Favored 'General case' 0 CA--C 1.509 -0.601 0 N-CA-C 104.396 -2.446 . . . . 0.0 104.396 -170.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 56.73 24.29 8.86 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 118.511 0.596 . . . . 0.0 112.101 -175.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 77.95 17.94 77.68 Favored Glycine 0 C--N 1.345 1.074 0 O-C-N 121.397 -0.814 . . . . 0.0 113.003 176.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -141.62 161.24 38.42 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 125.113 1.365 . . . . 0.0 108.222 177.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -105.02 138.92 40.47 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 119.717 1.144 . . . . 0.0 110.069 -169.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -142.55 132.98 24.98 Favored 'General case' 0 CA--C 1.523 -0.093 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 -169.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 90.0 m95 -81.04 130.49 35.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 118.593 0.633 . . . . 0.0 109.811 177.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -132.19 159.6 38.52 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 169.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -100.78 164.61 11.77 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.575 1.15 . . . . 0.0 110.312 -176.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -50.22 -45.13 53.59 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.703 1.138 . . . . 0.0 113.095 -177.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -71.08 -23.45 62.12 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 121.215 1.825 . . . . 0.0 112.938 178.26 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -81.65 -15.39 54.73 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 118.569 -0.729 . . . . 0.0 111.027 175.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 84.6 t -111.68 91.95 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 N-CA-C 105.891 -1.892 . . . . 0.0 105.891 -174.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 9.8 pt -107.64 164.89 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 -175.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 3.9 mt -107.69 116.01 31.17 Favored 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 106.399 -1.704 . . . . 0.0 106.399 -178.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.62 148.89 8.87 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 107.246 -1.39 . . . . 0.0 107.246 169.462 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.6 pp -55.43 -35.8 65.81 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 119.424 1.011 . . . . 0.0 113.111 -168.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 30.8 tp10 -66.23 -39.67 89.74 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 121.654 -0.654 . . . . 0.0 110.515 178.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -66.37 -52.05 50.89 Favored 'General case' 0 C--O 1.226 -0.157 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 178.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -61.99 -28.63 70.74 Favored Glycine 0 C--N 1.339 0.735 0 CA-C-O 119.145 -0.808 . . . . 0.0 111.728 -175.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -60.45 -45.36 93.98 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 118.796 1.298 . . . . 0.0 111.486 174.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 22.4 mtt-85 -62.57 -17.83 60.85 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 122.916 0.486 . . . . 0.0 112.159 177.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 10.1 mp -93.68 -29.7 15.29 Favored 'General case' 0 C--O 1.224 -0.283 0 C-N-CA 123.787 0.835 . . . . 0.0 110.975 172.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 64.9 ttp85 -57.72 -38.19 74.86 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 119.935 1.243 . . . . 0.0 111.733 -174.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -57.64 -22.87 48.2 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 118.245 -0.884 . . . . 0.0 112.908 178.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -114.89 -45.68 2.96 Favored 'General case' 0 C--N 1.346 0.444 0 CA-C-N 119.538 1.063 . . . . 0.0 112.634 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 7.3 m-30 -92.71 -8.92 42.54 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 124.239 1.016 . . . . 0.0 112.328 -169.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -56.31 130.27 49.36 Favored Glycine 0 CA--C 1.526 0.745 0 C-N-CA 125.233 1.397 . . . . 0.0 110.805 179.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1602 ' ' LEU . . . . . 0.54 HD22 HD23 ' A' 1534 ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.468 0.461 0 CA-C-N 118.367 1.083 . . . . 0.0 108.851 174.083 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 83.4 m-85 . . . . . 0 C--O 1.224 -0.258 0 CA-C-O 120.807 0.337 . . . . 0.0 110.143 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 17.7 t -59.81 115.93 1.43 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 C-N-CA 124.264 1.026 . . . . 0.0 108.654 -174.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 116.84 -24.61 9.41 Favored Glycine 0 CA--C 1.531 1.044 0 C-N-CA 124.832 1.206 . . . . 0.0 112.119 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 9.7 mp -73.35 138.56 45.43 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 118.829 1.315 . . . . 0.0 110.998 -174.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 75.2 mtt85 -80.52 126.32 31.08 Favored 'General case' 0 N--CA 1.462 0.157 0 N-CA-C 105.307 -2.109 . . . . 0.0 105.307 168.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 18.6 m -144.63 -172.19 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 C-N-CA 125.535 1.534 . . . . 0.0 107.739 -172.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.8 t -121.55 147.75 25.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 105.965 -1.865 . . . . 0.0 105.965 170.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -145.59 150.1 35.75 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 124.512 1.125 . . . . 0.0 108.557 -172.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 74.7 tttt -81.99 134.15 35.35 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 107.605 -1.258 . . . . 0.0 107.605 177.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 18.8 t-105 . . . . . 0 N--CA 1.441 -0.907 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 169.148 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A 1500 ' ' TYR . . . . . 0.419 ' CG ' ' HA ' ' A' 1589 ' ' SER . 7.7 m-30 . . . . . 0 C--O 1.234 0.256 0 CA-C-O 121.536 0.684 . . . . 0.0 110.435 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -96.95 108.65 21.41 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 106.198 -1.779 . . . . 0.0 106.198 -178.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -105.43 151.43 24.25 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 125.034 1.334 . . . . 0.0 108.963 -174.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 4.2 m -67.42 145.54 54.92 Favored 'General case' 0 CA--C 1.534 0.365 0 O-C-N 121.788 -0.57 . . . . 0.0 110.501 176.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -167.02 179.04 40.99 Favored Glycine 0 C--O 1.226 -0.358 0 N-CA-C 111.824 -0.511 . . . . 0.0 111.824 177.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -123.08 129.8 51.94 Favored 'General case' 0 CA--C 1.512 -0.508 0 N-CA-C 106.234 -1.765 . . . . 0.0 106.234 -176.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 13.8 mt -71.08 133.03 32.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 179.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 35.7 p -109.21 -28.7 8.88 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 123.512 0.725 . . . . 0.0 109.656 -174.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 20.9 ttt-85 -167.79 154.8 8.18 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.124 178.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 4.0 t70 -85.6 106.04 16.62 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 102.076 -3.305 . . . . 0.0 102.076 167.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.6 t -67.19 -49.11 75.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 -178.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 144.63 169.12 13.05 Favored Glycine 0 C--N 1.335 0.528 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 175.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 57.4 8.94 0.66 Allowed 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 178.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 106.25 -8.38 41.37 Favored Glycine 0 CA--C 1.524 0.598 0 C-N-CA 125.59 1.566 . . . . 0.0 111.231 -176.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 30.3 mtpt -75.23 138.42 41.9 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 119.593 1.696 . . . . 0.0 108.23 172.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -127.39 137.6 52.79 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 105.626 -1.99 . . . . 0.0 105.626 169.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -85.09 137.79 32.82 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 176.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.2 mm? -125.33 119.05 27.29 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 125.007 1.323 . . . . 0.0 108.75 -169.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 40.1 tp -84.04 93.21 8.04 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 104.916 -2.253 . . . . 0.0 104.916 168.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -56.23 148.59 18.01 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 173.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -66.21 -18.86 65.61 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -169.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 26.7 p-10 -84.0 3.65 33.39 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.55 1.14 . . . . 0.0 113.112 172.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 103.09 -1.62 47.53 Favored Glycine 0 CA--C 1.531 1.051 0 C-N-CA 125.158 1.361 . . . . 0.0 114.54 169.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -80.73 157.36 25.87 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 118.283 1.041 . . . . 0.0 109.669 -177.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -140.92 120.56 13.32 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -177.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 89.4 m -147.18 167.22 24.73 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.935 1.694 . . . . 0.0 107.877 172.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -91.07 144.06 26.04 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 124.242 1.017 . . . . 0.0 109.464 175.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 90.1 t -143.37 139.71 26.47 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.23 0 N-CA-C 107.332 -1.358 . . . . 0.0 107.332 -176.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 7.2 mt -78.38 152.26 32.36 Favored 'General case' 0 CA--C 1.513 -0.475 0 O-C-N 121.823 -0.548 . . . . 0.0 112.3 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -52.17 -40.38 51.92 Favored Glycine 0 CA--C 1.523 0.549 0 C-N-CA 124.986 1.279 . . . . 0.0 113.613 -179.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1530 ' ' LYS . . . . . . . . . . . . 0.254 0.0 OUTLIER -64.59 -14.11 56.29 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 118.851 1.325 . . . . 0.0 113.129 178.715 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -110.17 20.28 18.04 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.948 1.699 . . . . 0.0 111.561 -176.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -131.03 132.12 63.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 N-CA-C 106.128 -1.804 . . . . 0.0 106.128 178.694 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 8.1 mp -117.49 118.03 31.06 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 103.979 -2.6 . . . . 0.0 103.979 -174.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1534 ' ' LEU . . . . . 0.53 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -112.59 -2.38 14.6 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 117.194 2.294 . . . . 0.0 117.194 -168.693 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 25.2 p -130.1 52.69 1.99 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 105.086 -2.19 . . . . 0.0 105.086 -179.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -99.42 16.56 0.05 OUTLIER Pre-proline 0 CA--C 1.544 0.724 0 N-CA-C 121.709 3.966 . . . . 0.0 121.709 -167.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -54.91 118.97 5.74 Favored 'Trans proline' 0 CA--C 1.542 0.88 0 CA-C-N 125.264 2.916 . . . . 0.0 106.067 169.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 7.4 mm -60.55 123.99 76.59 Favored Pre-proline 0 CA--C 1.536 0.44 0 CA-C-O 118.395 -0.812 . . . . 0.0 109.771 -167.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -63.84 139.98 71.19 Favored 'Trans proline' 0 N--CA 1.452 -0.959 0 C-N-CA 121.976 1.784 . . . . 0.0 110.355 172.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 4.0 mp -55.41 148.62 14.82 Favored 'General case' 0 CA--C 1.532 0.281 0 O-C-N 121.786 -0.571 . . . . 0.0 109.771 172.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 6.4 t70 75.22 -4.73 2.31 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 127.229 2.212 . . . . 0.0 113.259 -177.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 28.5 m -69.0 138.35 54.45 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 108.428 -0.952 . . . . 0.0 108.428 170.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -79.01 137.08 37.41 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 171.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 1.9 m -145.15 164.58 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 C-N-CA 124.434 1.094 . . . . 0.0 109.39 -176.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 15.5 m -90.18 139.87 30.22 Favored 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 105.654 -1.98 . . . . 0.0 105.654 169.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -116.23 138.7 51.07 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 107.132 -1.433 . . . . 0.0 107.132 175.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.05 110.96 7.22 Favored 'General case' 0 CA--C 1.514 -0.438 0 C-N-CA 123.293 0.637 . . . . 0.0 111.701 -169.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 7.8 m -66.3 125.36 25.36 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 102.625 -3.102 . . . . 0.0 102.625 167.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -52.19 -22.67 4.55 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 115.992 1.849 . . . . 0.0 115.992 -168.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 37.0 t70 -66.65 -47.19 73.31 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 118.981 0.81 . . . . 0.0 111.423 177.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 175.54 -22.42 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.771 1.628 . . . . 0.0 114.158 173.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -56.8 123.38 14.82 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 119.521 1.055 . . . . 0.0 109.697 -169.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 2.1 t80 -125.09 128.55 48.63 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 125.123 1.369 . . . . 0.0 110.883 -168.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 2.4 p -151.87 178.1 9.75 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.453 1.501 . . . . 0.0 109.232 171.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -131.81 158.24 41.8 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 120.795 -1.19 . . . . 0.0 110.905 174.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.68 -159.8 17.56 Favored Glycine 0 CA--C 1.528 0.905 0 C-N-CA 126.19 1.852 . . . . 0.0 108.898 -170.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.4 t -132.46 143.09 40.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 CA-C-N 118.648 1.224 . . . . 0.0 110.193 -174.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 57.4 t -66.3 128.78 29.92 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 172.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -132.57 13.42 4.49 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.499 1.12 . . . . 0.0 111.489 171.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -177.07 173.2 46.1 Favored Glycine 0 C--N 1.338 0.686 0 CA-C-N 119.012 0.824 . . . . 0.0 112.487 173.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 9.2 m80 -136.35 154.33 50.87 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 125.902 1.681 . . . . 0.0 109.954 -177.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 49.2 ttt180 . . . . . 0 C--O 1.232 0.143 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 171.956 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 48.8 tp . . . . . 0 N--CA 1.448 -0.548 0 N-CA-C 108.453 -0.944 . . . . 0.0 108.453 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -121.3 156.25 32.94 Favored 'General case' 0 CA--C 1.513 -0.467 0 C-N-CA 124.63 1.172 . . . . 0.0 109.332 -175.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -137.34 132.21 33.27 Favored 'General case' 0 N--CA 1.442 -0.833 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 -175.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 46.8 t -83.89 104.1 13.7 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 102.209 -3.256 . . . . 0.0 102.209 168.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 28.2 mm -85.29 122.44 38.29 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 N-CA-C 105.352 -2.092 . . . . 0.0 105.352 171.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -83.19 120.44 25.8 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 102.579 -3.119 . . . . 0.0 102.579 168.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 22.7 ttpp -141.89 135.13 29.18 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 105.106 -2.183 . . . . 0.0 105.106 -173.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 55.72 27.62 10.97 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.527 0.731 . . . . 0.0 111.351 -176.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 81.05 14.52 79.14 Favored Glycine 0 CA--C 1.53 1.005 0 CA-C-O 118.943 -0.92 . . . . 0.0 113.355 175.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -142.56 154.59 44.59 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 118.661 1.23 . . . . 0.0 110.695 -179.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 88.4 mtm-85 -80.89 138.23 36.16 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.136 0.975 . . . . 0.0 109.37 -175.235 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -144.48 127.96 16.97 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 107.026 -1.472 . . . . 0.0 107.026 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 92.2 m95 -81.06 126.95 32.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 118.518 0.599 . . . . 0.0 110.338 177.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -128.7 166.67 18.5 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 107.122 -1.436 . . . . 0.0 107.122 169.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 55.8 pttt -115.98 166.39 12.04 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.79 1.236 . . . . 0.0 110.075 -176.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -48.31 -52.03 23.34 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 117.423 -1.275 . . . . 0.0 114.249 -169.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -69.79 -19.47 63.5 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 121.503 1.956 . . . . 0.0 113.394 179.338 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -87.26 -4.92 59.1 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 125.085 1.354 . . . . 0.0 111.167 172.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 91.2 t -119.63 90.63 1.62 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.643 0 N-CA-C 105.667 -1.975 . . . . 0.0 105.667 177.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 11.8 pt -108.21 174.78 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 -175.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 4.4 mt -122.03 134.69 54.79 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 106.826 -1.546 . . . . 0.0 106.826 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1589 ' ' SER . . . . . 0.419 ' HA ' ' CG ' ' A' 1500 ' ' TYR . 12.6 p -63.6 167.33 5.81 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 106.3 -1.741 . . . . 0.0 106.3 168.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.1 pp -57.87 -37.59 74.2 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 121.11 -0.994 . . . . 0.0 111.826 173.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -72.28 -42.0 66.05 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 121.283 -0.885 . . . . 0.0 108.741 -174.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -67.09 -49.95 63.28 Favored 'General case' 0 C--O 1.227 -0.123 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 179.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -63.24 -29.89 75.85 Favored Glycine 0 C--N 1.338 0.677 0 CA-C-O 118.737 -1.035 . . . . 0.0 111.552 -176.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -53.68 -38.79 64.54 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 119.327 1.563 . . . . 0.0 112.512 174.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -61.25 -17.37 53.04 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 118.64 0.655 . . . . 0.0 112.546 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1596 ' ' LEU . . . . . 0.527 ' N ' HD23 ' A' 1596 ' ' LEU . 0.0 OUTLIER -115.11 -15.96 11.65 Favored 'General case' 0 C--N 1.342 0.244 0 C-N-CA 124.556 1.142 . . . . 0.0 110.919 176.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 8.4 tmm_? -62.25 -38.48 89.42 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 120.4 1.455 . . . . 0.0 110.082 179.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -59.06 -22.03 60.09 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.788 0.835 . . . . 0.0 112.989 179.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -113.97 -44.01 3.2 Favored 'General case' 0 C--N 1.346 0.427 0 CA-C-N 119.162 0.892 . . . . 0.0 111.668 -176.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 8.9 m-30 -94.28 -16.14 23.85 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.07 0.948 . . . . 0.0 111.969 -170.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -42.2 129.42 4.6 Favored Glycine 0 CA--C 1.53 0.973 0 C-N-CA 126.406 1.955 . . . . 0.0 111.907 170.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1602 ' ' LEU . . . . . 0.53 HD22 HD23 ' A' 1534 ' ' LEU . 0.9 OUTLIER . . . . . 0 C--O 1.234 0.254 0 CA-C-N 118.185 0.992 . . . . 0.0 109.238 174.201 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 88.1 m-85 . . . . . 0 N--CA 1.467 0.38 0 N-CA-C 114.342 1.238 . . . . 0.0 114.342 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 6.4 t -58.67 115.12 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 C-N-CA 125.673 1.589 . . . . 0.0 108.662 -173.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 114.12 -22.81 13.5 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 125.145 1.355 . . . . 0.0 112.388 179.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 8.9 mp -75.2 138.76 42.18 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 118.955 1.378 . . . . 0.0 111.105 -173.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 54.3 mtp180 -78.23 128.26 33.47 Favored 'General case' 0 C--O 1.23 0.056 0 N-CA-C 105.523 -2.028 . . . . 0.0 105.523 168.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 19.0 m -145.81 -172.18 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 C-N-CA 125.751 1.62 . . . . 0.0 107.838 -175.02 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 5.1 t -122.73 147.63 26.85 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.114 0 N-CA-C 105.689 -1.967 . . . . 0.0 105.689 169.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -145.22 152.03 39.34 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 124.362 1.065 . . . . 0.0 108.318 -169.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 82.1 tttt -82.59 134.56 35.18 Favored 'General case' 0 CA--C 1.507 -0.674 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 178.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 27.8 t-105 . . . . . 0 N--CA 1.44 -0.974 0 N-CA-C 105.12 -2.178 . . . . 0.0 105.12 169.061 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 4.5 m-30 . . . . . 0 N--CA 1.471 0.587 0 CA-C-O 120.84 0.352 . . . . 0.0 111.887 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 2.2 m-30 -110.93 112.99 25.21 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 -169.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -108.59 151.8 25.63 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 125.698 1.599 . . . . 0.0 108.65 -172.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 3.9 m -74.07 150.42 40.6 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 123.077 0.551 . . . . 0.0 110.299 178.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -173.58 -175.22 41.14 Favored Glycine 0 C--N 1.332 0.344 0 O-C-N 121.551 -0.718 . . . . 0.0 111.94 -175.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -128.35 129.53 46.39 Favored 'General case' 0 CA--C 1.516 -0.351 0 C-N-CA 125.98 1.712 . . . . 0.0 106.817 -173.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 16.6 mt -72.47 130.87 35.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 106.905 -1.517 . . . . 0.0 106.905 179.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 65.6 p -105.81 -36.83 6.9 Favored 'General case' 0 CA--C 1.519 -0.24 0 C-N-CA 123.109 0.563 . . . . 0.0 110.513 -171.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.81 142.21 3.59 Favored 'General case' 0 C--N 1.344 0.343 0 C-N-CA 123.934 0.894 . . . . 0.0 111.21 177.202 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 7.4 t0 -69.49 102.92 1.91 Allowed 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 125.143 1.377 . . . . 0.0 107.748 168.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.5 t -64.9 -50.23 76.08 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 -175.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 146.66 165.41 11.61 Favored Glycine 0 C--N 1.337 0.612 0 N-CA-C 109.763 -1.335 . . . . 0.0 109.763 177.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 59.71 4.74 0.59 Allowed 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 115.262 1.579 . . . . 0.0 115.262 178.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 107.93 -7.27 35.59 Favored Glycine 0 CA--C 1.525 0.7 0 C-N-CA 124.749 1.166 . . . . 0.0 111.075 -173.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -74.61 138.03 42.7 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 120.462 2.131 . . . . 0.0 108.159 169.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -127.26 136.96 52.72 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 104.902 -2.258 . . . . 0.0 104.902 169.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -83.81 137.72 33.58 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 176.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.0 mm? -124.63 119.13 28.13 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 125.1 1.36 . . . . 0.0 108.144 -169.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 32.8 tp -83.75 94.31 8.13 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 103.929 -2.619 . . . . 0.0 103.929 169.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -55.85 148.47 16.82 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 172.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -65.6 -14.49 61.26 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.2 0.6 . . . . 0.0 112.351 -169.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 18.5 p-10 -90.34 0.78 57.1 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.686 1.594 . . . . 0.0 113.495 174.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 110.06 -6.0 30.63 Favored Glycine 0 CA--C 1.532 1.139 0 C-N-CA 124.926 1.25 . . . . 0.0 114.755 168.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -79.47 154.58 28.79 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 118.226 1.013 . . . . 0.0 109.415 -175.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -139.35 118.07 12.32 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 -175.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 10.7 m -145.93 158.14 43.87 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.819 1.248 . . . . 0.0 107.896 -178.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -80.75 143.0 33.25 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 171.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 88.9 t -141.88 139.65 30.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 N-CA-C 107.0 -1.482 . . . . 0.0 107.0 177.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.0 mt -77.68 150.82 34.47 Favored 'General case' 0 C--O 1.22 -0.491 0 O-C-N 121.819 -0.551 . . . . 0.0 111.022 179.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -54.89 -35.06 57.99 Favored Glycine 0 CA--C 1.523 0.589 0 C-N-CA 124.744 1.164 . . . . 0.0 112.743 -178.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.81 -33.14 64.16 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 117.711 0.756 . . . . 0.0 110.415 176.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -100.49 23.15 10.68 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 125.93 1.692 . . . . 0.0 111.992 -170.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -131.22 136.82 56.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 N-CA-C 106.652 -1.61 . . . . 0.0 106.652 179.33 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 62.5 mt -118.36 113.71 21.82 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 127.592 2.357 . . . . 0.0 104.813 -174.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1534 ' ' LEU . . . . . 0.549 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -110.36 -2.4 16.68 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 116.535 2.05 . . . . 0.0 116.535 -169.126 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 23.5 p -130.45 57.54 1.71 Allowed 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 104.076 -2.565 . . . . 0.0 104.076 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -98.63 19.23 0.04 OUTLIER Pre-proline 0 CA--C 1.543 0.709 0 N-CA-C 120.858 3.651 . . . . 0.0 120.858 -168.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -57.63 113.13 1.37 Allowed 'Trans proline' 0 CA--C 1.541 0.844 0 CA-C-N 125.005 2.823 . . . . 0.0 105.492 168.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 15.8 mm -60.94 124.32 79.33 Favored Pre-proline 0 CA--C 1.537 0.467 0 CA-C-O 118.376 -0.821 . . . . 0.0 109.559 -167.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -62.07 141.23 88.05 Favored 'Trans proline' 0 N--CA 1.451 -1.009 0 C-N-CA 121.724 1.616 . . . . 0.0 110.056 174.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1540 ' ' LEU . . . . . 0.488 ' H ' HD12 ' A' 1540 ' ' LEU . 4.1 mp -56.7 144.26 33.18 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 169.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 21.3 t70 82.24 -7.74 1.31 Allowed 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 127.442 2.297 . . . . 0.0 113.512 -176.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 18.3 m -68.77 136.47 52.84 Favored 'General case' 0 C--O 1.239 0.513 0 O-C-N 120.972 -1.08 . . . . 0.0 108.497 170.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -79.27 137.07 37.23 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 171.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 1.8 m -145.56 160.27 12.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 124.359 1.063 . . . . 0.0 109.172 -176.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 35.2 m -89.73 139.26 30.74 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 105.617 -1.994 . . . . 0.0 105.617 169.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -113.36 144.97 41.86 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 125.187 1.395 . . . . 0.0 107.782 176.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -139.06 114.09 9.41 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 123.897 0.879 . . . . 0.0 109.775 -169.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 18.9 m -62.14 150.17 39.37 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 105.768 -1.938 . . . . 0.0 105.768 167.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -61.82 -17.6 56.89 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 115.137 1.532 . . . . 0.0 115.137 -168.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 20.2 t0 -86.04 -62.51 1.5 Allowed 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 119.552 1.069 . . . . 0.0 111.157 178.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -167.83 -13.48 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 173.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -59.3 122.67 14.47 Favored 'General case' 0 C--N 1.341 0.229 0 CA-C-N 119.953 1.252 . . . . 0.0 110.108 -170.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -115.94 133.0 56.48 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 125.412 1.485 . . . . 0.0 110.57 -168.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 1.1 p -152.36 178.14 9.84 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.669 1.588 . . . . 0.0 108.876 173.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -136.17 158.93 43.24 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 119.967 1.258 . . . . 0.0 111.31 174.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -171.48 -160.69 20.62 Favored Glycine 0 CA--C 1.528 0.849 0 N-CA-C 108.776 -1.73 . . . . 0.0 108.776 -172.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.8 t -131.32 143.54 40.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-N 118.279 1.04 . . . . 0.0 109.024 -174.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 80.3 t -66.49 125.14 23.14 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 173.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 86.4 mttt -134.27 22.45 3.76 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 118.999 0.818 . . . . 0.0 112.039 171.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -179.44 171.36 43.14 Favored Glycine 0 C--N 1.34 0.805 0 O-C-N 121.322 -0.861 . . . . 0.0 111.528 169.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 8.3 m80 -137.17 154.72 50.16 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.793 1.637 . . . . 0.0 110.555 -177.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 47.8 ttt180 . . . . . 0 N--CA 1.461 0.094 0 C-N-CA 125.198 1.399 . . . . 0.0 107.264 170.908 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 55.8 tp . . . . . 0 N--CA 1.446 -0.665 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -124.33 155.02 39.45 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 125.141 1.376 . . . . 0.0 108.966 -172.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -137.45 131.92 32.62 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 106.85 -1.537 . . . . 0.0 106.85 -174.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.9 t -85.96 98.82 11.03 Favored 'General case' 0 CA--C 1.514 -0.432 0 N-CA-C 102.773 -3.047 . . . . 0.0 102.773 169.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 31.2 mm -80.09 125.8 39.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 105.255 -2.128 . . . . 0.0 105.255 173.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -82.87 115.92 21.96 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 102.552 -3.129 . . . . 0.0 102.552 168.343 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 19.7 ttpt -141.37 135.83 30.85 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 104.668 -2.345 . . . . 0.0 104.668 -170.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 54.69 25.94 7.0 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 122.96 0.504 . . . . 0.0 111.705 -172.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 78.56 15.19 81.22 Favored Glycine 0 CA--C 1.53 1.016 0 CA-C-O 118.834 -0.981 . . . . 0.0 113.53 177.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -142.62 156.01 45.02 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 118.742 1.271 . . . . 0.0 110.509 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 69.6 mtp180 -79.1 135.57 36.89 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 124.023 0.929 . . . . 0.0 109.393 -174.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -142.49 129.6 20.86 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 106.384 -1.71 . . . . 0.0 106.384 -179.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 90.6 m95 -80.99 126.4 31.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 118.551 0.614 . . . . 0.0 109.88 178.014 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -128.89 161.8 29.01 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 106.792 -1.558 . . . . 0.0 106.792 169.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -107.69 165.87 11.11 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.658 1.183 . . . . 0.0 110.113 -175.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -51.37 -44.2 62.04 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 120.152 1.342 . . . . 0.0 113.296 -175.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -68.63 -26.62 65.43 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 121.209 1.822 . . . . 0.0 112.471 177.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -87.56 -3.83 58.98 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.767 1.227 . . . . 0.0 111.346 179.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 88.2 t -118.36 93.01 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 N-CA-C 105.11 -2.182 . . . . 0.0 105.11 -179.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 7.8 pt -108.73 167.7 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 N-CA-C 107.343 -1.354 . . . . 0.0 107.343 -174.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 5.6 mt -113.35 124.72 53.12 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 -176.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.62 144.3 56.36 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 105.418 -2.068 . . . . 0.0 105.418 168.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.3 pp -52.59 -36.78 56.79 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 -168.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -65.42 -37.75 87.88 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -177.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -79.37 -43.3 23.74 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 -177.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -55.09 -33.73 57.79 Favored Glycine 0 CA--C 1.526 0.754 0 C-N-CA 123.377 0.513 . . . . 0.0 111.979 174.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -62.88 -44.3 96.47 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 118.339 1.069 . . . . 0.0 111.432 176.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 40.7 mtt180 -61.63 -16.67 50.5 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 112.557 0.576 . . . . 0.0 112.557 176.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.9 mp -95.83 -30.16 13.83 Favored 'General case' 0 C--N 1.342 0.279 0 C-N-CA 123.5 0.72 . . . . 0.0 110.588 171.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 68.0 ttp85 -56.63 -38.51 72.2 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.148 1.379 . . . . 0.0 111.785 -176.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -58.0 -22.62 50.43 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 118.545 -0.741 . . . . 0.0 112.962 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -115.28 -45.58 2.93 Favored 'General case' 0 C--N 1.348 0.521 0 CA-C-N 119.611 1.096 . . . . 0.0 112.382 178.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 8.0 m-30 -92.13 -8.04 46.82 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 123.977 0.911 . . . . 0.0 112.625 -169.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -56.8 131.92 51.9 Favored Glycine 0 CA--C 1.525 0.682 0 C-N-CA 125.335 1.445 . . . . 0.0 110.875 179.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1602 ' ' LEU . . . . . 0.549 HD22 HD23 ' A' 1534 ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.235 0.29 0 CA-C-N 118.55 1.175 . . . . 0.0 109.037 174.065 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 89.5 m-85 . . . . . 0 N--CA 1.469 0.486 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 3.1 t -64.69 125.45 21.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -170.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 101.59 -23.76 33.91 Favored Glycine 0 CA--C 1.529 0.954 0 C-N-CA 125.499 1.523 . . . . 0.0 113.177 -178.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 49.1 mt -69.73 135.43 49.77 Favored 'General case' 0 C--N 1.342 0.275 0 CA-C-N 119.217 1.509 . . . . 0.0 111.58 -173.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 58.2 mtm180 -77.62 127.16 32.01 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 105.897 -1.89 . . . . 0.0 105.897 168.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 20.3 m -146.86 -174.48 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 C-N-CA 125.506 1.522 . . . . 0.0 107.13 -173.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 1.9 t -120.51 148.07 23.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 106.114 -1.81 . . . . 0.0 106.114 171.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -148.33 150.25 33.27 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 123.892 0.877 . . . . 0.0 109.259 -170.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 78.1 tttt -82.94 132.65 35.14 Favored 'General case' 0 CA--C 1.513 -0.465 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 178.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 23.6 t-105 . . . . . 0 N--CA 1.446 -0.628 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 169.554 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 11.1 m-30 . . . . . 0 C--O 1.234 0.254 0 CA-C-O 121.727 0.775 . . . . 0.0 110.248 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -93.34 107.52 19.33 Favored 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 105.264 -2.125 . . . . 0.0 105.264 -178.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -99.0 152.55 19.69 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.279 1.032 . . . . 0.0 108.274 -176.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 5.2 m -75.14 148.54 39.55 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.432 0.693 . . . . 0.0 110.21 178.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -171.26 179.99 42.73 Favored Glycine 0 CA--C 1.523 0.558 0 O-C-N 121.766 -0.584 . . . . 0.0 111.717 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.54 134.86 54.71 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 106.373 -1.714 . . . . 0.0 106.373 177.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 7.7 mt -70.49 134.25 30.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 171.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 70.0 p -109.12 -35.06 6.41 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 123.087 0.555 . . . . 0.0 110.455 -171.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.63 143.69 3.38 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.314 1.046 . . . . 0.0 111.558 175.54 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 7.2 t0 -69.82 102.9 2.04 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.249 1.42 . . . . 0.0 108.647 169.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.3 t -65.22 -49.97 76.17 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -176.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 145.62 164.8 10.98 Favored Glycine 0 C--N 1.338 0.653 0 N-CA-C 109.911 -1.276 . . . . 0.0 109.911 178.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 60.04 4.93 0.68 Allowed 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 115.151 1.537 . . . . 0.0 115.151 177.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 108.41 -7.8 34.73 Favored Glycine 0 C--N 1.337 0.626 0 C-N-CA 124.903 1.24 . . . . 0.0 110.938 -173.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -75.4 138.03 41.43 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 120.09 1.945 . . . . 0.0 108.506 169.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -128.11 137.4 52.1 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 105.197 -2.149 . . . . 0.0 105.197 169.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 29.7 ttpt -83.84 139.56 32.58 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 177.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 2.8 mm? -124.99 118.31 25.95 Favored 'General case' 0 CA--C 1.51 -0.595 0 C-N-CA 125.104 1.361 . . . . 0.0 108.614 -169.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 40.7 tp -83.39 93.94 7.87 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 104.3 -2.481 . . . . 0.0 104.3 168.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -56.36 146.35 24.39 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 170.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -64.41 -20.86 66.42 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -170.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -81.69 3.46 25.41 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.381 1.472 . . . . 0.0 113.204 174.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 103.88 -4.01 45.59 Favored Glycine 0 CA--C 1.528 0.869 0 C-N-CA 125.243 1.402 . . . . 0.0 114.8 169.189 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -80.91 153.88 27.33 Favored 'General case' 0 C--O 1.231 0.089 0 CA-C-N 118.189 0.994 . . . . 0.0 109.267 -175.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -141.43 117.63 10.69 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 -176.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 85.5 m -144.76 162.72 36.05 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 125.231 1.413 . . . . 0.0 107.936 174.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -75.72 145.32 40.96 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 170.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 93.8 t -140.79 139.81 34.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 106.885 -1.524 . . . . 0.0 106.885 173.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.8 mt -77.38 150.67 35.07 Favored 'General case' 0 CA--C 1.51 -0.571 0 C-N-CA 122.941 0.497 . . . . 0.0 111.227 178.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -53.45 -35.57 51.36 Favored Glycine 0 CA--C 1.523 0.56 0 C-N-CA 124.952 1.263 . . . . 0.0 113.27 -179.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.97 -29.4 63.21 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 117.528 0.664 . . . . 0.0 110.891 177.361 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -106.14 21.83 16.7 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 126.03 1.732 . . . . 0.0 111.845 -170.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -131.63 132.61 62.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 N-CA-C 105.86 -1.904 . . . . 0.0 105.86 178.27 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 9.9 mp -117.82 119.87 36.21 Favored 'General case' 0 CA--C 1.516 -0.332 0 N-CA-C 104.521 -2.4 . . . . 0.0 104.521 -174.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1534 ' ' LEU . . . . . 0.513 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -113.3 -2.81 13.93 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 116.971 2.211 . . . . 0.0 116.971 -168.155 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 24.3 p -132.01 50.39 2.24 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 106.163 -1.792 . . . . 0.0 106.163 -177.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 54.5 t0 -116.87 60.49 2.36 Favored Pre-proline 0 CA--C 1.539 0.554 0 N-CA-C 116.28 1.956 . . . . 0.0 116.28 -168.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -71.73 122.4 8.5 Favored 'Trans proline' 0 CA--C 1.544 1.013 1 N-CA-C 100.743 -4.368 . . . . 0.0 100.743 165.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1538 ' ' ILE . . . . . 0.412 HG21 HG11 ' A' 1544 ' ' VAL . 7.0 mm -59.9 124.05 74.89 Favored Pre-proline 0 CA--C 1.542 0.643 0 CA-C-N 119.13 0.877 . . . . 0.0 108.974 -168.467 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -62.92 142.71 89.36 Favored 'Trans proline' 0 N--CA 1.453 -0.909 0 C-N-CA 121.992 1.794 . . . . 0.0 110.265 176.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1540 ' ' LEU . . . . . 0.445 ' H ' HD12 ' A' 1540 ' ' LEU . 3.9 mp -57.47 147.46 26.45 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 169.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 21.2 t70 75.86 -5.78 2.11 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 127.169 2.188 . . . . 0.0 113.681 -176.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 24.0 m -70.11 134.06 47.79 Favored 'General case' 0 C--O 1.239 0.524 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 170.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -76.73 137.67 39.48 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 170.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1544 ' ' VAL . . . . . 0.412 HG11 HG21 ' A' 1538 ' ' ILE . 2.6 m -146.54 162.56 9.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 124.699 1.2 . . . . 0.0 109.297 -176.192 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 7.7 m -89.07 143.04 27.13 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 105.725 -1.954 . . . . 0.0 105.725 169.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -120.03 136.72 54.46 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 125.661 1.585 . . . . 0.0 107.254 177.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.69 113.69 9.3 Favored 'General case' 0 CA--C 1.515 -0.4 0 C-N-CA 123.646 0.779 . . . . 0.0 110.354 -170.042 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 11.8 m -64.13 138.33 58.4 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 105.226 -2.139 . . . . 0.0 105.226 168.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -62.15 13.62 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 117.468 2.396 . . . . 0.0 117.468 -169.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 32.9 t70 -109.22 -57.28 2.18 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 119.426 1.012 . . . . 0.0 110.527 171.345 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -170.1 -19.1 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 174.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -58.77 121.41 11.01 Favored 'General case' 0 C--N 1.344 0.351 0 CA-C-N 119.147 0.885 . . . . 0.0 109.317 -171.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 1.7 t80 -121.46 133.81 55.06 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 125.08 1.352 . . . . 0.0 110.389 -168.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 2.5 p -152.25 178.44 9.5 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.73 1.612 . . . . 0.0 109.37 171.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -135.05 157.35 47.15 Favored 'General case' 0 CA--C 1.534 0.335 0 O-C-N 120.798 -1.189 . . . . 0.0 111.051 172.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.29 -161.57 21.07 Favored Glycine 0 CA--C 1.527 0.825 0 C-N-CA 126.334 1.921 . . . . 0.0 109.194 -171.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.5 t -130.33 143.72 40.13 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-N 118.824 1.312 . . . . 0.0 109.539 -173.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 85.0 t -66.89 128.69 30.52 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 173.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -133.36 14.67 4.14 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.59 1.156 . . . . 0.0 111.764 171.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -176.67 173.61 46.41 Favored Glycine 0 C--N 1.339 0.719 0 CA-C-N 119.242 0.928 . . . . 0.0 111.921 171.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 8.4 m80 -138.04 153.45 49.36 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 126.304 1.842 . . . . 0.0 110.3 -175.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 29.7 ttt85 . . . . . 0 CA--C 1.531 0.213 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 170.031 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 32.1 tp . . . . . 0 N--CA 1.449 -0.518 0 CA-C-O 120.966 0.412 . . . . 0.0 110.102 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -133.44 158.16 43.78 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 126.007 1.723 . . . . 0.0 108.58 -174.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -140.91 135.15 30.99 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 -174.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 48.5 t -86.61 103.65 15.3 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 102.342 -3.207 . . . . 0.0 102.342 168.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 29.3 mm -83.86 123.47 38.89 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.564 0 N-CA-C 105.5 -2.037 . . . . 0.0 105.5 172.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -83.0 121.67 27.3 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 103.112 -2.922 . . . . 0.0 103.112 168.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -143.14 135.07 26.86 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 104.956 -2.238 . . . . 0.0 104.956 -171.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 54.49 26.41 7.15 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.326 0.65 . . . . 0.0 111.965 -173.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 77.43 17.54 79.08 Favored Glycine 0 CA--C 1.53 0.977 0 CA-C-O 118.795 -1.003 . . . . 0.0 113.268 177.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -141.45 155.43 45.86 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 118.615 1.208 . . . . 0.0 110.414 178.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -80.47 139.35 36.46 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.898 0.879 . . . . 0.0 109.642 -174.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -144.75 127.07 15.81 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 106.45 -1.685 . . . . 0.0 106.45 178.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 93.0 m95 -80.87 131.48 35.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 118.848 0.749 . . . . 0.0 110.181 177.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -132.48 162.65 30.66 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.076 1.35 . . . . 0.0 108.305 169.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -102.74 164.66 11.5 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.349 1.46 . . . . 0.0 110.101 -175.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 21.9 ttp180 -51.71 -43.26 62.74 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 120.297 1.408 . . . . 0.0 114.179 -177.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.03 -21.28 62.29 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 121.463 1.938 . . . . 0.0 112.884 177.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -86.95 -8.31 57.34 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 124.566 1.147 . . . . 0.0 111.197 178.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 71.8 t -118.93 92.21 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 N-CA-C 105.297 -2.112 . . . . 0.0 105.297 -176.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 14.7 pt -110.81 160.03 10.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 -172.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 6.1 mt -103.63 118.23 36.23 Favored 'General case' 0 CA--C 1.511 -0.54 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 -176.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.06 137.44 51.19 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 105.513 -2.032 . . . . 0.0 105.513 169.336 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.6 pp -50.47 -38.55 44.43 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -168.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -69.94 -35.39 74.47 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.125 0.875 . . . . 0.0 110.033 -177.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -69.69 -47.42 63.26 Favored 'General case' 0 C--O 1.227 -0.08 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 176.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -62.31 -31.56 79.68 Favored Glycine 0 C--N 1.338 0.679 0 CA-C-O 119.647 -0.53 . . . . 0.0 112.104 -179.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -58.62 -41.61 86.31 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 118.976 1.388 . . . . 0.0 111.704 177.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 29.3 mtp85 -61.36 -16.23 44.13 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.032 0.533 . . . . 0.0 112.337 178.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 7.4 mp -103.75 -26.74 12.62 Favored 'General case' 0 C--N 1.341 0.221 0 C-N-CA 124.82 1.248 . . . . 0.0 110.241 175.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 9.0 tmm_? -59.51 -37.9 79.51 Favored 'General case' 0 C--O 1.224 -0.264 0 C-N-CA 124.356 1.062 . . . . 0.0 110.395 -176.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -57.59 -20.63 33.81 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.843 0.857 . . . . 0.0 113.233 178.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -114.18 -47.25 2.95 Favored 'General case' 0 C--N 1.345 0.39 0 CA-C-N 119.658 1.117 . . . . 0.0 111.61 179.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 11.7 m-30 -90.08 -17.67 27.31 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 124.183 0.993 . . . . 0.0 112.467 -169.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -43.9 130.5 6.62 Favored Glycine 0 CA--C 1.529 0.916 0 C-N-CA 126.224 1.868 . . . . 0.0 111.784 170.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1602 ' ' LEU . . . . . 0.513 HD22 HD23 ' A' 1534 ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.342 0.248 0 CA-C-N 118.126 0.963 . . . . 0.0 109.252 174.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.672 0 N-CA-C 112.239 -0.344 . . . . 0.0 112.239 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -151.64 -47.0 0.11 Allowed 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.838 -0.801 . . . . 0.0 110.855 178.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 14.7 tpt -149.87 152.83 35.72 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.099 1.359 . . . . 0.0 108.035 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 55.4 t30 -149.92 156.99 42.71 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 124.469 1.107 . . . . 0.0 108.445 174.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 16.7 m -66.2 92.35 0.18 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.288 1.035 . . . . 0.0 110.061 175.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 89.1 m-85 69.37 -64.71 0.33 Allowed 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 127.533 2.333 . . . . 0.0 114.028 169.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 6.0 t -57.65 115.49 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 C-N-CA 125.689 1.596 . . . . 0.0 108.509 -174.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 113.59 -22.21 15.4 Favored Glycine 0 CA--C 1.532 1.121 0 C-N-CA 125.431 1.491 . . . . 0.0 112.475 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 9.8 mp -74.07 139.33 44.58 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.897 1.349 . . . . 0.0 110.91 -173.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -78.81 126.79 31.18 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 105.865 -1.902 . . . . 0.0 105.865 168.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 16.1 m -146.1 -175.62 0.53 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 C-N-CA 125.271 1.429 . . . . 0.0 107.944 -173.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 9.6 t -120.08 147.72 23.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 105.218 -2.142 . . . . 0.0 105.218 169.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -148.18 152.06 36.6 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.363 1.065 . . . . 0.0 108.786 -169.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 76.5 tttt -83.38 131.1 35.07 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1495 ' ' TRP . . . . . 0.425 ' CE3' HH12 ' B' ' 370' ' ' MLY . 14.0 t-105 -84.02 146.63 27.86 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 107.429 -1.323 . . . . 0.0 107.429 169.063 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 1.5 m -65.31 -175.02 0.2 Allowed 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.851 1.66 . . . . 0.0 113.35 -172.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 14.5 m 55.56 42.18 29.92 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.078 -1.014 . . . . 0.0 111.127 -175.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 66.5 t30 48.4 50.57 16.5 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.798 2.039 . . . . 0.0 113.235 -175.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -86.48 178.22 48.89 Favored Glycine 0 CA--C 1.527 0.793 0 CA-C-O 122.443 1.024 . . . . 0.0 113.568 -178.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1500 ' ' TYR . . . . . 0.413 ' CG ' ' HA ' ' A' 1589 ' ' SER . 11.7 m-30 -74.14 169.31 17.82 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 126.623 1.969 . . . . 0.0 110.705 174.032 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -94.63 110.05 21.91 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 106.149 -1.797 . . . . 0.0 106.149 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -103.83 153.39 20.8 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 124.7 1.2 . . . . 0.0 108.544 -176.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 2.6 m -70.34 147.12 49.97 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 123.79 0.836 . . . . 0.0 110.788 177.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -170.38 -175.97 39.54 Favored Glycine 0 C--O 1.225 -0.419 0 O-C-N 121.608 -0.683 . . . . 0.0 112.313 -178.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 34.1 mtmt -132.8 128.79 37.52 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 -173.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 22.3 mt -72.69 130.99 35.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 106.86 -1.533 . . . . 0.0 106.86 -178.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 71.6 p -106.59 -36.98 6.59 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 123.158 0.583 . . . . 0.0 110.483 -170.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.48 143.41 4.11 Favored 'General case' 0 C--N 1.344 0.345 0 C-N-CA 124.026 0.931 . . . . 0.0 110.93 176.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 7.4 t70 -71.0 103.03 2.56 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 168.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.5 t -64.3 -49.53 80.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 -176.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 148.65 166.2 12.76 Favored Glycine 0 C--N 1.34 0.756 0 N-CA-C 109.582 -1.407 . . . . 0.0 109.582 172.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.88 9.29 0.59 Allowed 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 177.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 107.97 -7.66 35.76 Favored Glycine 0 C--N 1.339 0.729 0 C-N-CA 125.133 1.349 . . . . 0.0 111.225 -177.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 12.1 mtpp -74.95 134.37 41.54 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-N 119.818 1.809 . . . . 0.0 106.863 170.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -125.64 138.07 53.9 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 105.508 -2.034 . . . . 0.0 105.508 169.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 29.2 ttpt -84.9 139.16 32.06 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 176.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.2 mm? -125.96 119.21 27.12 Favored 'General case' 0 CA--C 1.513 -0.473 0 C-N-CA 124.744 1.218 . . . . 0.0 108.6 -169.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 40.1 tp -83.88 94.74 8.29 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 104.341 -2.466 . . . . 0.0 104.341 169.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -57.08 150.12 17.87 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 173.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -61.98 -25.43 67.62 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 121.914 -0.491 . . . . 0.0 111.781 -172.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 30.0 p-10 -78.51 0.34 26.46 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.735 1.214 . . . . 0.0 113.244 175.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 103.12 -4.09 48.47 Favored Glycine 0 CA--C 1.532 1.13 0 C-N-CA 125.331 1.443 . . . . 0.0 113.321 169.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -79.23 156.17 28.25 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.181 0.991 . . . . 0.0 109.878 -176.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -141.49 117.37 10.48 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 123.757 0.823 . . . . 0.0 108.916 -175.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 87.5 m -144.71 168.35 20.4 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.898 1.679 . . . . 0.0 107.752 174.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -98.19 145.59 26.46 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 123.795 0.838 . . . . 0.0 110.142 178.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 96.1 t -144.04 138.82 24.76 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.442 0 N-CA-C 107.805 -1.184 . . . . 0.0 107.805 -172.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 7.3 mt -76.66 150.57 36.36 Favored 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 122.526 0.331 . . . . 0.0 110.603 178.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -53.78 -34.75 51.38 Favored Glycine 0 CA--C 1.523 0.54 0 C-N-CA 124.407 1.003 . . . . 0.0 113.268 -179.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.53 -32.69 63.14 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 122.104 -0.645 . . . . 0.0 110.673 177.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -101.74 22.88 12.14 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 126.27 1.828 . . . . 0.0 112.226 -170.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -130.23 135.88 59.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 179.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 42.0 mt -115.84 110.99 19.81 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 104.883 -2.266 . . . . 0.0 104.883 -175.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1534 ' ' LEU . . . . . 0.545 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -105.69 -2.9 22.77 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 116.761 2.134 . . . . 0.0 116.761 -169.275 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 21.8 p -134.27 49.43 2.25 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 107.006 -1.479 . . . . 0.0 107.006 -176.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 50.0 t0 -115.48 55.47 1.04 Allowed Pre-proline 0 CA--C 1.541 0.611 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 -168.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -67.21 122.75 10.07 Favored 'Trans proline' 0 CA--C 1.542 0.906 1 N-CA-C 101.158 -4.208 . . . . 0.0 101.158 166.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1538 ' ' ILE . . . . . 0.513 HG21 HG11 ' A' 1544 ' ' VAL . 9.5 mm -58.61 117.49 21.05 Favored Pre-proline 0 CA--C 1.538 0.499 0 CA-C-N 119.052 0.842 . . . . 0.0 108.885 -168.019 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -63.02 143.21 90.41 Favored 'Trans proline' 0 N--CA 1.451 -1.023 0 C-N-CA 121.804 1.669 . . . . 0.0 110.049 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1540 ' ' LEU . . . . . 0.434 ' H ' HD12 ' A' 1540 ' ' LEU . 3.7 mp -58.41 147.64 30.7 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 169.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 20.3 t70 74.64 -3.6 2.54 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 127.306 2.242 . . . . 0.0 113.707 -175.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 30.1 m -70.91 134.65 47.43 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 170.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -77.14 137.1 38.69 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 170.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1544 ' ' VAL . . . . . 0.513 HG11 HG21 ' A' 1538 ' ' ILE . 0.8 OUTLIER -147.53 161.2 7.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 C-N-CA 124.543 1.137 . . . . 0.0 109.667 -174.821 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 2.2 m -89.44 130.23 35.82 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 106.166 -1.791 . . . . 0.0 106.166 169.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -93.41 137.75 32.4 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 170.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.25 99.1 3.77 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.482 0.713 . . . . 0.0 110.323 -171.146 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 4.7 m -62.34 123.39 18.1 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 104.363 -2.458 . . . . 0.0 104.363 168.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -54.21 -21.52 9.16 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 115.727 1.751 . . . . 0.0 115.727 -168.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 37.7 t70 -67.62 -32.23 72.8 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 118.342 -0.837 . . . . 0.0 112.125 175.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 155.55 -20.03 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 129.003 2.921 . . . . 0.0 114.804 169.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -53.89 124.86 16.61 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 119.511 1.05 . . . . 0.0 110.399 -169.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 8.7 t80 -117.25 127.0 53.65 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 124.371 1.069 . . . . 0.0 111.015 -169.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 5.1 p -151.65 177.37 10.43 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.684 1.193 . . . . 0.0 109.634 170.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -134.69 159.09 42.37 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 119.773 1.17 . . . . 0.0 111.239 174.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -171.76 -160.01 19.32 Favored Glycine 0 CA--C 1.528 0.851 0 C-N-CA 126.267 1.889 . . . . 0.0 109.106 -171.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.7 t -133.0 142.35 42.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 CA-C-N 118.562 1.181 . . . . 0.0 109.49 -174.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 63.1 t -65.86 126.37 24.95 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 171.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 85.4 mttt -132.74 18.88 4.22 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.865 0.866 . . . . 0.0 111.453 170.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -176.97 173.38 46.26 Favored Glycine 0 C--N 1.34 0.754 0 O-C-N 121.338 -0.851 . . . . 0.0 111.953 170.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 8.9 m80 -137.11 154.15 50.35 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 126.524 1.93 . . . . 0.0 110.14 -178.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 -150.38 158.72 44.46 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 172.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.8 mmtp -126.31 125.71 42.74 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 105.742 -1.948 . . . . 0.0 105.742 170.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -150.01 140.68 22.61 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 -174.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 19.4 m 51.21 29.3 4.76 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.957 0.903 . . . . 0.0 112.728 -174.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 64.78 33.19 86.58 Favored Glycine 0 CA--C 1.53 0.982 0 CA-C-O 119.366 -0.686 . . . . 0.0 112.183 -176.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -140.16 155.92 46.75 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 124.718 1.207 . . . . 0.0 108.098 -176.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 24.8 tp -95.71 135.6 37.2 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 123.804 0.842 . . . . 0.0 112.577 -169.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -131.96 159.12 39.63 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 126.019 1.728 . . . . 0.0 110.286 -174.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -141.32 132.58 26.53 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 -173.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 39.1 t -83.46 107.07 15.71 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 102.412 -3.181 . . . . 0.0 102.412 169.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 27.9 mm -88.88 126.03 41.96 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 N-CA-C 105.215 -2.143 . . . . 0.0 105.215 171.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -83.36 113.53 20.79 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 102.472 -3.158 . . . . 0.0 102.472 168.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -140.1 127.9 21.9 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 -168.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 48.68 39.95 14.72 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.413 1.085 . . . . 0.0 111.633 -172.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 67.3 28.91 73.77 Favored Glycine 0 CA--C 1.53 1.008 0 CA-C-O 119.075 -0.847 . . . . 0.0 112.893 175.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -136.17 149.81 48.78 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 174.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -91.3 117.3 29.53 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 106.851 -1.537 . . . . 0.0 106.851 175.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -129.79 129.8 44.53 Favored 'General case' 0 CA--C 1.522 -0.13 0 N-CA-C 107.326 -1.361 . . . . 0.0 107.326 -169.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 91.3 m95 -80.83 123.83 28.58 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -126.46 157.92 37.41 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 169.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 57.5 pttt -99.59 166.38 11.17 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.81 1.244 . . . . 0.0 110.008 -178.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 20.6 ttp-105 -43.59 -54.79 4.7 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-N 120.243 1.383 . . . . 0.0 112.76 -177.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 1.8 ppp? -72.45 -13.25 61.4 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 -174.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -94.43 -1.81 52.99 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 126.243 1.817 . . . . 0.0 110.465 171.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 57.8 t -120.46 89.97 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.593 0 N-CA-C 105.839 -1.911 . . . . 0.0 105.839 175.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 10.6 pt -111.57 165.55 6.59 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 -171.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 11.3 mt -113.29 114.93 27.38 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 -175.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1589 ' ' SER . . . . . 0.413 ' HA ' ' CG ' ' A' 1500 ' ' TYR . 5.0 m -57.81 146.03 32.96 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 106.273 -1.751 . . . . 0.0 106.273 169.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.8 pp -54.21 -36.78 63.85 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.569 1.077 . . . . 0.0 112.769 -169.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -64.86 -40.27 94.88 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.765 0.826 . . . . 0.0 109.795 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -68.04 -49.64 60.18 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.557 1.143 . . . . 0.0 108.143 176.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -61.29 -30.86 75.16 Favored Glycine 0 C--N 1.337 0.608 0 C-N-CA 124.241 0.924 . . . . 0.0 112.183 -176.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -53.41 -42.58 67.16 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 118.39 1.095 . . . . 0.0 111.721 174.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -61.14 -14.69 26.55 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.632 0.773 . . . . 0.0 112.568 -179.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 2.0 mp -109.53 -23.42 11.5 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 124.106 0.963 . . . . 0.0 110.822 176.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 2.4 ttp85 -59.1 -36.51 75.28 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 119.802 1.183 . . . . 0.0 111.612 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -57.63 -23.21 49.91 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 118.197 -0.906 . . . . 0.0 113.355 177.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -114.67 -46.77 2.93 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-N 119.765 1.166 . . . . 0.0 112.008 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 9.8 m-30 -91.85 -8.51 46.33 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 124.591 1.156 . . . . 0.0 112.72 -169.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -53.23 128.48 38.28 Favored Glycine 0 CA--C 1.527 0.834 0 C-N-CA 125.4 1.476 . . . . 0.0 110.282 175.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1602 ' ' LEU . . . . . 0.545 HD22 HD23 ' A' 1534 ' ' LEU . 0.7 OUTLIER -64.75 -44.62 89.49 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 118.707 1.254 . . . . 0.0 108.957 174.337 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.326 0 N-CA-C 108.677 -1.769 . . . . 0.0 108.677 -176.77 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 363' ' ' ARG . . . . . . . . . . . . . 44.7 ttm180 . . . . . 0 N--CA 1.493 1.684 0 N-CA-C 110.267 -0.272 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -136.4 174.32 10.74 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.444 1.498 . . . . 0.0 108.587 171.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 365' ' ' HIS . . . . . . . . . . . . . 4.8 p-80 -61.42 173.24 0.95 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.619 1.168 . . . . 0.0 111.567 170.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 366' ' ' SER . . . . . . . . . . . . . 5.0 m -60.01 177.3 0.25 Allowed 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 127.802 2.441 . . . . 0.0 114.257 -176.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 4.1 m -60.84 -6.58 1.85 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.432 1.893 . . . . 0.0 115.794 -174.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 368' ' ' HIS . . . . . . . . . . . . . 45.4 t60 49.19 -129.07 2.04 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 -168.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 9.5 tp -121.84 137.57 54.73 Favored 'General case' 0 N--CA 1.44 -0.941 0 N-CA-C 105.71 -1.959 . . . . 0.0 105.71 174.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 370' ' ' MLY . . . . . 0.425 HH12 ' CE3' ' A' 1495 ' ' TRP . . . . . . . . 0 N--CA 1.449 -0.495 0 N-CA-C 105.443 -2.058 . . . . 0.0 105.443 169.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 371' ' ' SER . . . . . . . . . . . . . 2.2 p -54.01 -13.1 0.7 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 129.182 2.993 . . . . 0.0 114.943 -171.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 372' ' ' LYS . . . . . . . . . . . . . 65.7 pttt -56.34 -24.99 47.47 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.677 0.791 . . . . 0.0 112.905 175.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 373' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -139.72 160.05 40.77 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 125.396 1.478 . . . . 0.0 107.875 172.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 374' ' ' GLY . . . . . . . . . . . . . . . -72.72 160.03 53.88 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 173.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -132.78 11.0 4.34 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.788 1.235 . . . . 0.0 111.876 -178.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 15.9 m 34.63 69.54 0.15 Allowed 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 127.467 2.307 . . . . 0.0 114.781 169.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 4.5 m . . . . . 0 C--O 1.255 1.35 0 C-N-CA 124.261 1.024 . . . . 0.0 109.839 170.069 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.52 0 N-CA-C 111.507 -0.637 . . . . 0.0 111.507 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 74.8 m80 -70.87 -19.86 62.59 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.865 0.866 . . . . 0.0 112.613 -177.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 8.7 ttt -148.71 168.82 21.88 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.656 1.582 . . . . 0.0 107.994 -178.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 52.2 t30 -137.0 153.36 50.68 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 124.092 0.957 . . . . 0.0 109.89 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 20.0 m -64.35 99.55 0.3 Allowed 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.63 1.172 . . . . 0.0 110.12 176.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 86.6 m-85 66.91 -66.08 0.2 Allowed 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 127.628 2.371 . . . . 0.0 114.361 169.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 4.1 t -57.27 114.73 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 C-N-CA 125.825 1.65 . . . . 0.0 108.772 -175.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 114.55 -22.85 12.75 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 125.376 1.465 . . . . 0.0 112.353 179.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 8.4 mp -74.54 140.64 44.6 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 118.912 1.356 . . . . 0.0 110.994 -173.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 79.2 mtt85 -81.18 127.69 32.94 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 105.639 -1.985 . . . . 0.0 105.639 168.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 17.4 m -145.85 -177.44 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 125.237 1.415 . . . . 0.0 107.72 -173.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 15.7 t -116.72 143.26 27.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 105.197 -2.149 . . . . 0.0 105.197 169.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -145.34 152.78 40.43 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.613 1.165 . . . . 0.0 108.886 -169.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . 0.425 ' HE2' ' HA ' ' A' 1498 ' ' ASN . 79.4 tttt -82.56 129.48 34.94 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 178.197 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1495 ' ' TRP . . . . . 0.507 ' CE3' HH12 ' B' ' 370' ' ' MLY . 30.7 t-105 -66.22 125.95 27.18 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 169.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -55.58 -27.82 51.47 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 116.735 2.124 . . . . 0.0 116.735 -168.155 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 75.5 m -80.48 59.98 3.7 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 120.009 1.277 . . . . 0.0 110.571 175.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1498 ' ' ASN . . . . . 0.425 ' HA ' ' HE2' ' A' 1494 ' ' LYS . 67.0 t30 42.4 46.24 3.99 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 127.204 2.201 . . . . 0.0 113.056 -178.167 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -97.21 -174.28 34.38 Favored Glycine 0 C--N 1.339 0.718 0 CA-C-O 122.401 1.001 . . . . 0.0 113.75 -170.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1500 ' ' TYR . . . . . 0.402 ' CG ' ' HA ' ' A' 1589 ' ' SER . 11.0 m-30 -72.27 168.94 17.27 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 126.453 1.901 . . . . 0.0 110.221 169.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -96.54 111.12 23.36 Favored 'General case' 0 N--CA 1.446 -0.635 0 N-CA-C 106.275 -1.75 . . . . 0.0 106.275 -176.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -105.55 160.13 15.41 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 125.092 1.357 . . . . 0.0 108.788 -175.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 57.6 m -72.67 145.43 47.23 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 118.717 0.69 . . . . 0.0 110.353 173.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -166.99 179.47 40.71 Favored Glycine 0 C--N 1.333 0.385 0 N-CA-C 111.494 -0.643 . . . . 0.0 111.494 178.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 33.5 mtmt -127.94 128.26 44.77 Favored 'General case' 0 CA--C 1.514 -0.442 0 N-CA-C 106.224 -1.769 . . . . 0.0 106.224 -171.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 23.8 mt -73.59 128.14 35.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 106.849 -1.537 . . . . 0.0 106.849 -177.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 62.7 p -103.74 -37.66 7.38 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 123.231 0.612 . . . . 0.0 110.098 -170.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -166.86 142.41 4.3 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 124.074 0.949 . . . . 0.0 111.551 176.107 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 6.6 t0 -69.01 102.54 1.63 Allowed 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 125.333 1.453 . . . . 0.0 107.792 168.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.5 t -65.05 -50.34 75.07 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 -175.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 145.95 165.81 11.64 Favored Glycine 0 C--N 1.339 0.735 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 57.25 9.3 0.68 Allowed 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 114.904 1.446 . . . . 0.0 114.904 177.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 103.93 -6.45 47.69 Favored Glycine 0 CA--C 1.525 0.696 0 C-N-CA 125.322 1.439 . . . . 0.0 111.163 -176.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 30.5 mtpt -75.09 138.22 41.95 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 119.724 1.762 . . . . 0.0 107.732 171.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -127.52 137.26 52.59 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 105.159 -2.163 . . . . 0.0 105.159 169.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 29.1 ttpt -84.26 138.89 32.7 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 177.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.1 mm? -125.55 118.78 26.49 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 124.758 1.223 . . . . 0.0 108.654 -169.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 43.6 tp -83.73 94.51 8.17 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 105.16 -2.163 . . . . 0.0 105.16 169.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -59.27 151.64 22.73 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 172.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -69.77 -19.21 63.52 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -170.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 44.3 p-10 -76.59 -3.22 36.51 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.821 1.249 . . . . 0.0 112.485 170.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 102.55 -2.53 49.62 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 125.941 1.734 . . . . 0.0 113.088 170.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -77.11 157.6 30.93 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 117.896 0.848 . . . . 0.0 109.622 -177.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -142.14 120.45 12.31 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 -176.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 64.3 m -146.93 168.07 22.38 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 125.325 1.45 . . . . 0.0 107.815 171.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -88.0 142.55 27.7 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 124.148 0.979 . . . . 0.0 109.251 176.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 90.5 t -141.59 137.17 32.09 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.253 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 -177.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.7 mt -75.57 151.14 37.92 Favored 'General case' 0 CA--C 1.513 -0.471 0 C-N-CA 122.945 0.498 . . . . 0.0 112.284 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -55.03 -39.34 68.77 Favored Glycine 0 CA--C 1.521 0.412 0 C-N-CA 124.326 0.965 . . . . 0.0 113.16 -177.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.29 -21.76 64.25 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.387 1.094 . . . . 0.0 112.466 177.32 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -100.64 21.05 14.0 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.744 1.617 . . . . 0.0 111.697 -175.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -132.53 137.02 55.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 -179.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 63.1 mt -117.88 114.36 23.12 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 127.682 2.393 . . . . 0.0 104.946 -176.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1534 ' ' LEU . . . . . 0.563 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -107.43 -2.06 20.88 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 116.637 2.088 . . . . 0.0 116.637 -169.387 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 24.5 p -135.11 54.07 1.95 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 106.488 -1.671 . . . . 0.0 106.488 -177.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 51.4 t0 -118.51 63.09 5.29 Favored Pre-proline 0 CA--C 1.54 0.567 0 N-CA-C 117.192 2.293 . . . . 0.0 117.192 -168.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -72.29 122.7 8.57 Favored 'Trans proline' 0 CA--C 1.546 1.102 1 N-CA-C 100.821 -4.338 . . . . 0.0 100.821 165.694 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1538 ' ' ILE . . . . . 0.445 HG21 HG11 ' A' 1544 ' ' VAL . 5.4 mm -60.18 122.1 64.17 Favored Pre-proline 0 CA--C 1.539 0.555 0 CA-C-N 119.509 1.049 . . . . 0.0 109.19 -168.332 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -63.53 143.83 88.72 Favored 'Trans proline' 0 N--CA 1.452 -0.956 0 C-N-CA 121.952 1.768 . . . . 0.0 110.625 178.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 3.4 mp -58.02 149.06 24.21 Favored 'General case' 0 C--O 1.233 0.211 0 O-C-N 121.638 -0.664 . . . . 0.0 109.544 169.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 4.9 t70 72.36 -2.93 2.44 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.944 2.098 . . . . 0.0 113.538 -176.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 25.0 m -69.48 134.93 49.5 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 169.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -75.48 137.31 40.83 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 107.332 -1.359 . . . . 0.0 107.332 170.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1544 ' ' VAL . . . . . 0.445 HG11 HG21 ' A' 1538 ' ' ILE . 0.9 OUTLIER -146.14 158.89 11.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 124.475 1.11 . . . . 0.0 109.709 -176.449 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 2.8 m -90.23 131.29 36.13 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 105.559 -2.015 . . . . 0.0 105.559 169.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -97.38 140.16 32.25 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 172.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.21 99.23 3.81 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.315 1.046 . . . . 0.0 109.889 -169.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 5.3 m -64.19 135.41 56.28 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 105.015 -2.217 . . . . 0.0 105.015 168.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -52.62 -36.66 56.9 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.174 0.59 . . . . 0.0 111.557 -169.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 26.6 t0 -79.95 60.75 3.63 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.232 1.413 . . . . 0.0 110.668 174.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 55.15 -14.48 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 120.084 3.365 . . . . 0.0 120.084 172.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -58.52 129.42 41.99 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 122.229 2.286 . . . . 0.0 110.144 -176.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 6.5 t80 -125.63 126.07 44.13 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 124.539 1.136 . . . . 0.0 109.783 -169.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 4.0 p -151.62 176.99 10.8 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.651 1.18 . . . . 0.0 109.22 169.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -133.84 158.16 44.1 Favored 'General case' 0 C--O 1.233 0.213 0 O-C-N 120.75 -1.219 . . . . 0.0 111.017 174.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -171.75 -158.23 15.37 Favored Glycine 0 CA--C 1.523 0.588 0 C-N-CA 125.998 1.761 . . . . 0.0 108.701 -171.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.1 t -133.82 143.8 37.55 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-N 118.562 1.181 . . . . 0.0 109.716 -174.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 64.0 t -65.74 127.78 27.49 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.284 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 171.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -131.76 12.89 4.87 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.083 0.953 . . . . 0.0 111.737 171.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -176.51 173.57 46.38 Favored Glycine 0 C--N 1.341 0.839 0 O-C-N 121.291 -0.88 . . . . 0.0 112.076 173.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 8.6 m80 -136.7 154.69 50.54 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 126.335 1.854 . . . . 0.0 110.26 -177.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 -149.97 159.83 44.08 Favored 'General case' 0 N--CA 1.461 0.086 0 N-CA-C 107.37 -1.344 . . . . 0.0 107.37 171.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -129.39 125.47 36.64 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 106.322 -1.733 . . . . 0.0 106.322 169.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -150.23 140.21 21.96 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 -174.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 30.2 m 50.08 30.12 3.97 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.368 1.067 . . . . 0.0 113.594 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 65.94 33.26 85.11 Favored Glycine 0 CA--C 1.533 1.193 0 CA-C-O 119.345 -0.697 . . . . 0.0 112.399 -177.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -138.72 150.75 46.49 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 106.943 -1.503 . . . . 0.0 106.943 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 38.3 tp -94.54 130.91 40.77 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 124.458 1.103 . . . . 0.0 108.925 -171.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -122.42 156.37 34.17 Favored 'General case' 0 CA--C 1.515 -0.378 0 C-N-CA 125.371 1.468 . . . . 0.0 109.274 -175.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1570 ' ' TYR . . . . . 0.401 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 72.3 m-85 -139.61 131.72 28.03 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 106.857 -1.535 . . . . 0.0 106.857 -174.098 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 43.9 t -84.36 103.79 13.83 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 102.798 -3.038 . . . . 0.0 102.798 168.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 26.9 mm -85.37 126.55 40.41 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 N-CA-C 105.471 -2.048 . . . . 0.0 105.471 172.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -83.05 115.5 21.89 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 102.568 -3.123 . . . . 0.0 102.568 168.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -142.84 135.51 27.82 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 105.406 -2.072 . . . . 0.0 105.406 -169.386 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 52.19 33.25 12.03 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.639 0.775 . . . . 0.0 111.321 -169.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 73.76 15.44 79.47 Favored Glycine 0 CA--C 1.53 0.97 0 CA-C-O 118.933 -0.926 . . . . 0.0 114.195 175.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -144.38 157.58 44.19 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 118.707 1.254 . . . . 0.0 110.277 -177.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -80.06 135.29 36.32 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.47 0.708 . . . . 0.0 109.463 -173.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -143.1 128.25 18.64 Favored 'General case' 0 N--CA 1.461 0.107 0 N-CA-C 106.872 -1.529 . . . . 0.0 106.872 -178.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 92.2 m95 -81.0 128.24 33.48 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.778 -0.576 . . . . 0.0 110.13 177.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -131.27 163.81 26.97 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.489 1.516 . . . . 0.0 107.005 169.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 62.9 pttt -111.52 166.87 10.77 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.274 1.03 . . . . 0.0 110.266 -177.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 23.7 ttp180 -41.69 -55.85 2.83 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 114.66 1.356 . . . . 0.0 114.66 -176.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 2.2 ppp? -71.7 -15.54 62.21 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 121.116 1.78 . . . . 0.0 113.847 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -93.15 -1.94 55.85 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.34 1.856 . . . . 0.0 111.068 172.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 75.7 t -120.09 91.02 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 N-CA-C 105.769 -1.938 . . . . 0.0 105.769 176.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 8.1 pt -107.93 165.68 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 -173.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 8.1 mt -115.2 118.48 33.43 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 106.69 -1.596 . . . . 0.0 106.69 -176.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1589 ' ' SER . . . . . 0.402 ' HA ' ' CG ' ' A' 1500 ' ' TYR . 3.3 m -58.17 145.27 37.67 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 106.416 -1.698 . . . . 0.0 106.416 169.164 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.6 pp -53.48 -35.36 60.49 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -169.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -68.1 -36.43 79.77 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.855 0.862 . . . . 0.0 110.582 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -70.78 -48.8 52.41 Favored 'General case' 0 C--O 1.224 -0.272 0 C-N-CA 124.859 1.264 . . . . 0.0 108.016 176.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -62.77 -29.27 73.44 Favored Glycine 0 C--N 1.339 0.696 0 C-N-CA 124.218 0.913 . . . . 0.0 112.364 -177.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -56.87 -39.22 73.93 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 118.608 1.204 . . . . 0.0 112.279 174.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -60.93 -20.54 62.33 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 118.484 0.584 . . . . 0.0 111.656 178.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 7.0 mp -98.34 -26.25 14.56 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.623 1.169 . . . . 0.0 110.809 177.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 66.4 ttp85 -56.72 -39.6 74.2 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 119.573 1.079 . . . . 0.0 111.3 -176.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -60.04 -19.71 54.17 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 118.074 -0.965 . . . . 0.0 113.318 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -114.86 -48.47 2.84 Favored 'General case' 0 C--N 1.347 0.487 0 CA-C-N 119.925 1.238 . . . . 0.0 112.428 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 9.4 m-30 -91.51 -9.36 44.71 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.34 1.056 . . . . 0.0 112.283 -170.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -55.97 130.81 49.51 Favored Glycine 0 CA--C 1.526 0.726 0 C-N-CA 125.421 1.486 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1602 ' ' LEU . . . . . 0.563 HD22 HD23 ' A' 1534 ' ' LEU . 0.7 OUTLIER -66.7 -45.73 77.84 Favored 'General case' 0 C--N 1.342 0.248 0 CA-C-N 118.264 1.032 . . . . 0.0 109.227 174.004 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.119 0 N-CA-C 109.041 -1.624 . . . . 0.0 109.041 -176.131 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 363' ' ' ARG . . . . . . . . . . . . . 58.9 ttm-85 . . . . . 0 N--CA 1.492 1.652 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -119.1 -178.46 3.58 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.285 1.434 . . . . 0.0 107.693 169.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 365' ' ' HIS . . . . . . . . . . . . . 31.5 t60 -56.68 152.45 12.16 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 122.753 0.421 . . . . 0.0 110.184 174.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 366' ' ' SER . . . . . . . . . . . . . 12.6 m -73.8 46.09 0.21 Allowed 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 127.15 2.18 . . . . 0.0 113.667 -172.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 12.0 m 69.81 -28.02 0.16 Allowed 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 128.024 2.529 . . . . 0.0 114.325 179.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 368' ' ' HIS . . . . . . . . . . . . . 2.2 t60 48.7 -154.64 0.09 Allowed 'General case' 0 C--O 1.237 0.396 0 C-N-CA 124.18 0.992 . . . . 0.0 110.264 -170.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.32 129.32 53.69 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 104.011 -2.588 . . . . 0.0 104.011 169.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 370' ' ' MLY . . . . . 0.507 HH12 ' CE3' ' A' 1495 ' ' TRP . . . . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 104.03 -2.582 . . . . 0.0 104.03 172.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 371' ' ' SER . . . . . . . . . . . . . 1.7 p -63.75 -4.74 3.34 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.312 1.445 . . . . 0.0 113.962 -169.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 372' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -54.32 -45.37 72.61 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.3 1.04 . . . . 0.0 110.284 169.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 373' ' ' LYS . . . . . . . . . . . . . 32.8 mmmt -136.12 18.33 3.21 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.602 1.561 . . . . 0.0 111.019 179.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 374' ' ' GLY . . . . . . . . . . . . . . . 66.46 -71.58 0.15 Allowed Glycine 0 CA--C 1.531 1.09 0 C-N-CA 125.941 1.734 . . . . 0.0 111.599 -170.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -152.45 -7.8 0.2 Allowed 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.233 1.413 . . . . 0.0 111.956 174.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 17.3 m -69.85 161.34 30.09 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 119.279 0.945 . . . . 0.0 111.533 -174.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 26.3 m . . . . . 0 C--O 1.255 1.345 0 N-CA-C 106.077 -1.823 . . . . 0.0 106.077 175.676 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.575 0 CA-C-O 121.417 0.454 . . . . 0.0 112.322 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -151.63 170.53 19.47 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.083 1.353 . . . . 0.0 108.75 177.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 77.6 mtm -60.05 153.95 20.38 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.277 0.631 . . . . 0.0 109.678 169.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 59.7 t30 -65.19 149.29 50.17 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 176.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 20.1 m -63.29 99.9 0.21 Allowed 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 124.223 1.009 . . . . 0.0 109.987 174.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 84.6 m-85 67.04 -64.24 0.25 Allowed 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 127.676 2.39 . . . . 0.0 114.452 169.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 6.6 t -59.51 115.8 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 C-N-CA 125.496 1.518 . . . . 0.0 108.613 -173.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 114.55 -23.73 11.88 Favored Glycine 0 CA--C 1.529 0.936 0 C-N-CA 125.372 1.463 . . . . 0.0 112.219 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 8.6 mp -74.58 137.86 42.63 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 118.747 1.274 . . . . 0.0 110.972 -172.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 43.2 mtp180 -77.17 128.86 35.15 Favored 'General case' 0 N--CA 1.463 0.205 0 N-CA-C 105.955 -1.868 . . . . 0.0 105.955 168.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 22.2 m -146.31 -175.41 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 C-N-CA 125.786 1.635 . . . . 0.0 107.463 -174.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 3.9 t -120.68 143.7 31.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 104.648 -2.353 . . . . 0.0 104.648 169.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -144.39 153.26 41.75 Favored 'General case' 0 CA--C 1.513 -0.453 0 O-C-N 121.189 -0.945 . . . . 0.0 108.803 -170.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 72.1 tttt -81.8 127.66 33.2 Favored 'General case' 0 CA--C 1.507 -0.673 0 N-CA-C 106.419 -1.697 . . . . 0.0 106.419 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1495 ' ' TRP . . . . . 0.41 ' CE3' HH12 ' B' ' 370' ' ' MLY . 27.4 t-105 -64.69 123.5 19.47 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 106.792 -1.559 . . . . 0.0 106.792 169.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.47 -29.68 26.01 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 126.825 2.05 . . . . 0.0 116.06 -168.1 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 12.6 m -81.46 55.46 2.62 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 119.27 0.941 . . . . 0.0 110.853 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 63.8 t30 44.45 45.43 7.57 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 127.872 2.469 . . . . 0.0 113.546 -176.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -96.86 -171.11 34.11 Favored Glycine 0 C--N 1.338 0.674 0 CA-C-O 121.983 0.768 . . . . 0.0 113.888 -174.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 13.3 m-30 -71.94 169.31 16.14 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 126.01 1.724 . . . . 0.0 110.816 171.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -85.85 108.43 18.13 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 173.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -99.46 150.96 21.65 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.796 1.238 . . . . 0.0 107.711 178.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 7.8 m -72.02 147.19 47.1 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.354 0.661 . . . . 0.0 110.273 177.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -171.82 -174.46 39.37 Favored Glycine 0 C--N 1.336 0.546 0 O-C-N 121.687 -0.633 . . . . 0.0 112.23 -176.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 41.1 mtmt -130.84 130.83 44.12 Favored 'General case' 0 CA--C 1.516 -0.341 0 C-N-CA 126.129 1.772 . . . . 0.0 106.947 -173.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 18.8 mt -73.34 130.62 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 66.3 p -104.8 -37.19 7.13 Favored 'General case' 0 CA--C 1.517 -0.289 0 C-N-CA 122.995 0.518 . . . . 0.0 111.036 -171.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -169.0 141.07 2.59 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 123.949 0.9 . . . . 0.0 111.431 177.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 8.1 t70 -68.26 102.82 1.45 Allowed 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.041 1.336 . . . . 0.0 107.887 168.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.5 t -64.66 -50.1 77.26 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 C-N-CA 123.619 0.768 . . . . 0.0 108.935 -177.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 146.62 163.89 10.69 Favored Glycine 0 C--N 1.338 0.667 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 58.87 8.79 1.02 Allowed 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 177.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 103.09 -7.37 52.22 Favored Glycine 0 CA--C 1.525 0.675 0 C-N-CA 124.716 1.151 . . . . 0.0 111.471 -173.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -74.66 137.69 42.36 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-N 120.576 2.188 . . . . 0.0 107.674 169.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -126.42 139.05 53.56 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 104.805 -2.294 . . . . 0.0 104.805 169.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -84.24 140.46 31.66 Favored 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 107.559 -1.274 . . . . 0.0 107.559 175.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . 0.482 HD21 HD13 ' A' 1532 ' ' ILE . 3.0 mm? -125.72 119.38 27.83 Favored 'General case' 0 CA--C 1.51 -0.587 0 N-CA-C 107.956 -1.128 . . . . 0.0 107.956 -169.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 42.8 tp -83.74 94.23 8.11 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 104.538 -2.393 . . . . 0.0 104.538 169.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -56.73 150.17 16.54 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 172.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -67.01 -16.84 64.62 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -170.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 24.6 p-10 -85.55 2.93 42.83 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.733 1.613 . . . . 0.0 112.721 172.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 101.57 -3.61 53.66 Favored Glycine 0 CA--C 1.53 1.0 0 C-N-CA 125.183 1.373 . . . . 0.0 114.217 169.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -79.68 155.41 28.05 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 118.347 1.074 . . . . 0.0 109.413 -176.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -141.44 117.47 10.57 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 -175.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 83.2 m -143.69 164.79 29.46 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.411 1.484 . . . . 0.0 108.058 175.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -83.45 142.08 31.22 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 123.87 0.868 . . . . 0.0 108.783 174.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 88.5 t -141.06 134.72 31.91 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.311 0 N-CA-C 107.113 -1.44 . . . . 0.0 107.113 178.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.5 mt -70.54 148.0 48.69 Favored 'General case' 0 C--O 1.22 -0.461 0 O-C-N 121.782 -0.574 . . . . 0.0 110.619 176.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -54.19 -33.85 52.51 Favored Glycine 0 C--N 1.335 0.51 0 C-N-CA 124.189 0.899 . . . . 0.0 112.992 176.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.76 -24.59 23.19 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.082 0.553 . . . . 0.0 112.142 173.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -113.97 22.31 14.04 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.21 1.804 . . . . 0.0 111.242 -170.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1532 ' ' ILE . . . . . 0.482 HD13 HD21 ' A' 1517 ' ' LEU . 1.7 mt -127.01 133.91 67.33 Favored 'Isoleucine or valine' 0 C--N 1.343 0.294 0 N-CA-C 106.693 -1.595 . . . . 0.0 106.693 177.031 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 58.7 mt -112.69 110.45 20.6 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 128.682 2.793 . . . . 0.0 104.69 -176.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1534 ' ' LEU . . . . . 0.578 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -108.0 -4.3 17.97 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 116.392 1.997 . . . . 0.0 116.392 -169.045 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 19.7 p -131.01 53.16 2.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 105.59 -2.004 . . . . 0.0 105.59 -177.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 53.7 t0 -118.55 62.78 5.22 Favored Pre-proline 0 C--O 1.237 0.406 0 N-CA-C 116.848 2.166 . . . . 0.0 116.848 -168.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -74.38 122.86 7.77 Favored 'Trans proline' 0 CA--C 1.55 1.282 1 N-CA-C 100.346 -4.521 . . . . 0.0 100.346 165.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1538 ' ' ILE . . . . . 0.413 HG21 HG11 ' A' 1544 ' ' VAL . 8.6 mm -60.42 122.86 70.54 Favored Pre-proline 0 CA--C 1.543 0.683 0 CA-C-N 119.863 1.211 . . . . 0.0 109.595 -168.115 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -62.55 143.76 93.38 Favored 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 121.942 1.761 . . . . 0.0 110.438 177.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 3.8 mp -58.1 148.9 25.04 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 170.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 4.9 t70 71.65 -2.14 2.56 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.848 2.059 . . . . 0.0 113.892 -175.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 25.7 m -69.48 135.96 50.85 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 169.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -82.14 136.77 35.1 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 171.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1544 ' ' VAL . . . . . 0.413 HG11 HG21 ' A' 1538 ' ' ILE . 1.6 m -146.55 162.36 9.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 C-N-CA 125.102 1.361 . . . . 0.0 109.094 -170.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 9.0 m -90.1 137.83 32.02 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 104.973 -2.232 . . . . 0.0 104.973 169.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -116.56 142.23 47.16 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 125.558 1.543 . . . . 0.0 107.881 177.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1547 ' ' LEU . . . . . 0.464 ' O ' ' HB1' ' A' 1585 ' ' ALA . 0.3 OUTLIER -139.26 128.57 24.11 Favored 'General case' 0 CA--C 1.511 -0.523 0 C-N-CA 124.166 0.986 . . . . 0.0 109.541 -169.339 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 52.7 m -68.4 169.42 10.75 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 106.774 -1.565 . . . . 0.0 106.774 167.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -71.58 12.73 0.32 Allowed 'General case' 0 CA--C 1.552 1.034 0 O-C-N 120.336 -1.477 . . . . 0.0 112.27 176.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 29.1 t0 -144.09 167.53 22.17 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 128.573 2.749 . . . . 0.0 105.747 169.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -52.48 8.44 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 121.06 3.726 . . . . 0.0 121.06 -168.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -67.89 120.4 14.12 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 106.726 -1.583 . . . . 0.0 106.726 169.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -136.08 132.31 35.96 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 124.721 1.208 . . . . 0.0 109.026 -169.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 7.2 p -151.88 178.47 9.37 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.325 1.45 . . . . 0.0 109.911 174.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -128.87 155.34 45.39 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 119.465 1.03 . . . . 0.0 110.532 170.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.92 -162.92 24.1 Favored Glycine 0 CA--C 1.53 0.988 0 C-N-CA 126.605 2.05 . . . . 0.0 108.707 -170.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.4 t -129.92 142.63 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 CA-C-N 119.235 1.517 . . . . 0.0 110.099 -172.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 82.1 t -65.08 127.3 25.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 171.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 68.1 mmtt -128.67 11.92 6.27 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 119.149 0.886 . . . . 0.0 111.634 170.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -178.62 179.71 48.66 Favored Glycine 0 CA--C 1.523 0.572 0 CA-C-N 118.798 0.726 . . . . 0.0 112.188 173.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 9.3 m80 -140.83 154.28 46.14 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 126.889 2.076 . . . . 0.0 110.86 -173.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 -150.14 162.11 41.07 Favored 'General case' 0 N--CA 1.462 0.128 0 C-N-CA 125.438 1.495 . . . . 0.0 107.48 170.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 11.0 mmtp -129.0 125.79 38.15 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 105.885 -1.894 . . . . 0.0 105.885 169.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -151.18 140.75 21.64 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 -175.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 35.6 m 50.45 29.77 4.17 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.525 1.13 . . . . 0.0 113.759 177.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 66.16 34.65 88.84 Favored Glycine 0 CA--C 1.533 1.204 0 CA-C-O 119.441 -0.644 . . . . 0.0 112.157 -177.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -138.51 152.43 48.24 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 105.961 -1.866 . . . . 0.0 105.961 176.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 38.0 tp -94.19 134.05 37.06 Favored 'General case' 0 N--CA 1.446 -0.671 0 C-N-CA 125.594 1.558 . . . . 0.0 108.114 -176.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -124.48 155.58 38.69 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 125.171 1.388 . . . . 0.0 108.662 -174.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1570 ' ' TYR . . . . . 0.412 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 67.8 m-85 -138.81 127.35 23.19 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 106.013 -1.847 . . . . 0.0 106.013 -175.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.1 p -84.18 96.19 8.88 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 104.694 -2.335 . . . . 0.0 104.694 169.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 38.4 mm -78.05 134.51 28.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 105.951 -1.87 . . . . 0.0 105.951 177.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -93.88 120.01 33.57 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 105.116 -2.179 . . . . 0.0 105.116 169.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -145.23 135.89 24.4 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 105.175 -2.157 . . . . 0.0 105.175 -170.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 51.74 33.57 11.36 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.89 0.876 . . . . 0.0 111.963 -170.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 70.42 18.85 75.66 Favored Glycine 0 CA--C 1.532 1.106 0 O-C-N 121.581 -0.699 . . . . 0.0 113.82 175.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -142.27 158.01 44.19 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.764 1.225 . . . . 0.0 108.597 179.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 85.4 mtm-85 -101.04 142.33 32.66 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 118.814 0.734 . . . . 0.0 110.124 -169.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -146.25 132.52 19.5 Favored 'General case' 0 N--CA 1.461 0.076 0 N-CA-C 106.732 -1.581 . . . . 0.0 106.732 -169.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 89.4 m95 -80.79 130.84 35.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 118.738 0.699 . . . . 0.0 109.919 177.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -131.77 162.5 30.36 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 169.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -106.89 165.56 11.24 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.658 1.183 . . . . 0.0 110.119 -175.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 49.4 ttt180 -53.7 -42.22 67.78 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 120.657 1.572 . . . . 0.0 113.273 -174.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 1.4 ppp? -70.83 -21.27 62.47 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 121.005 1.73 . . . . 0.0 112.778 177.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1585 ' ' ALA . . . . . 0.464 ' HB1' ' O ' ' A' 1547 ' ' LEU . . . -88.64 -8.31 54.84 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 124.763 1.225 . . . . 0.0 111.619 176.034 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 82.2 t -116.39 93.03 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 N-CA-C 105.803 -1.925 . . . . 0.0 105.803 -177.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 10.0 pt -110.9 164.03 7.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 -172.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 5.0 mt -110.29 116.81 32.13 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 -176.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.73 148.24 10.26 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 169.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.5 pp -56.88 -33.64 67.07 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 -168.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -69.71 -36.02 75.55 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.339 -0.851 . . . . 0.0 109.754 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -67.29 -52.62 38.36 Favored 'General case' 0 C--N 1.34 0.187 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 176.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -63.27 -28.08 71.69 Favored Glycine 0 C--N 1.34 0.779 0 CA-C-O 119.409 -0.662 . . . . 0.0 111.943 -174.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -57.38 -43.27 83.46 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 118.882 1.341 . . . . 0.0 111.694 173.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 29.2 mtt85 -61.59 -17.33 54.69 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 178.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.0 mp -99.62 -27.25 13.77 Favored 'General case' 0 C--N 1.34 0.187 0 C-N-CA 124.394 1.078 . . . . 0.0 110.554 176.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 65.9 ttp85 -57.99 -38.31 75.87 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 119.404 1.002 . . . . 0.0 111.349 -177.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -58.26 -22.22 51.58 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 118.055 -0.974 . . . . 0.0 113.196 178.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -115.02 -48.16 2.84 Favored 'General case' 0 C--N 1.347 0.458 0 CA-C-N 120.09 1.314 . . . . 0.0 112.067 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.0 m-30 -91.59 -10.51 40.26 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 124.613 1.165 . . . . 0.0 112.072 -170.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -52.59 130.89 39.21 Favored Glycine 0 CA--C 1.527 0.84 0 C-N-CA 125.394 1.473 . . . . 0.0 110.648 175.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1602 ' ' LEU . . . . . 0.578 HD22 HD23 ' A' 1534 ' ' LEU . 0.8 OUTLIER -67.26 -48.37 67.91 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 118.73 1.265 . . . . 0.0 109.087 174.48 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.184 0 N-CA-C 109.189 -1.565 . . . . 0.0 109.189 -175.961 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 363' ' ' ARG . . . . . . . . . . . . . 33.4 tpt85 . . . . . 0 N--CA 1.497 1.877 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -81.32 -174.22 4.79 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 107.049 -1.463 . . . . 0.0 107.049 168.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 365' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -154.95 173.95 15.83 Favored 'General case' 0 C--O 1.238 0.492 0 O-C-N 121.249 -0.907 . . . . 0.0 109.821 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 366' ' ' SER . . . . . . . . . . . . . 15.1 m -59.26 173.82 0.46 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.748 1.219 . . . . 0.0 110.653 169.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 5.7 m -53.97 -28.26 36.51 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.513 1.125 . . . . 0.0 113.221 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 368' ' ' HIS . . . . . . . . . . . . . 2.7 t60 48.53 -92.88 0.02 OUTLIER 'General case' 0 C--N 1.342 0.245 0 C-N-CA 127.362 2.265 . . . . 0.0 110.9 -171.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 369' ' ' LEU . . . . . 0.443 HD22 HD11 ' A' 1547 ' ' LEU . 28.4 tp -167.64 134.29 2.17 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 105.422 -2.066 . . . . 0.0 105.422 -170.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 370' ' ' MLY . . . . . 0.41 HH12 ' CE3' ' A' 1495 ' ' TRP . . . . . . . . 0 C--N 1.328 -0.365 0 N-CA-C 103.542 -2.762 . . . . 0.0 103.542 169.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 371' ' ' SER . . . . . . . . . . . . . 2.1 p -52.19 -13.19 0.3 Allowed 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 129.043 2.937 . . . . 0.0 115.861 -169.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 372' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -128.97 -62.59 1.0 Allowed 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.254 1.022 . . . . 0.0 109.765 169.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 373' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -60.09 -23.77 64.07 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 114.058 1.132 . . . . 0.0 114.058 -171.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 374' ' ' GLY . . . . . . . . . . . . . . . -125.48 29.61 4.71 Favored Glycine 0 CA--C 1.53 0.972 0 C-N-CA 124.922 1.249 . . . . 0.0 111.124 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -140.85 -43.8 0.39 Allowed 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.028 0.931 . . . . 0.0 110.369 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 15.2 m -70.18 -15.36 62.93 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.753 0.821 . . . . 0.0 112.004 172.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 18.5 m . . . . . 0 C--O 1.255 1.349 0 C-N-CA 126.649 1.979 . . . . 0.0 105.763 -176.135 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.78 0 N-CA-C 111.953 -0.459 . . . . 0.0 111.953 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -149.83 168.75 22.84 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 124.893 1.277 . . . . 0.0 109.184 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 47.2 tpp -57.45 146.35 29.86 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.15 0.98 . . . . 0.0 110.173 171.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 55.0 t30 -153.46 163.01 40.69 Favored 'General case' 0 N--CA 1.461 0.106 0 C-N-CA 124.868 1.267 . . . . 0.0 108.933 178.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 16.7 m -65.54 86.91 0.08 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.819 1.248 . . . . 0.0 110.275 173.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 94.4 m-85 69.29 -65.03 0.31 Allowed 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 127.687 2.395 . . . . 0.0 113.876 171.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 4.0 t -57.27 114.91 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 C-N-CA 125.154 1.382 . . . . 0.0 108.969 -175.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 114.04 -20.48 16.84 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 125.18 1.372 . . . . 0.0 112.486 178.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 9.4 mp -74.4 137.84 42.96 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 118.845 1.323 . . . . 0.0 110.376 -174.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 91.4 mtm-85 -76.52 126.8 31.62 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 106.457 -1.682 . . . . 0.0 106.457 168.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 17.1 m -146.67 -177.72 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 -173.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 7.6 t -117.89 151.64 19.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 105.25 -2.13 . . . . 0.0 105.25 169.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -150.39 152.78 34.87 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 121.188 -0.945 . . . . 0.0 109.35 -172.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 77.1 tttt -83.11 127.52 33.67 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 178.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 10.9 t-105 -79.76 146.78 32.15 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 169.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 1.5 m -65.74 -172.26 0.12 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.913 1.685 . . . . 0.0 113.031 -173.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 13.0 m 55.18 39.7 31.51 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 120.727 -1.233 . . . . 0.0 110.821 -175.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 65.8 t30 48.69 48.1 20.23 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.796 2.038 . . . . 0.0 113.435 -174.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -84.73 178.03 51.26 Favored Glycine 0 CA--C 1.528 0.851 0 CA-C-O 122.476 1.042 . . . . 0.0 113.868 -177.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 10.1 m-30 -73.03 169.76 16.29 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 126.582 1.953 . . . . 0.0 110.101 173.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 1.8 m-30 -99.0 110.55 23.15 Favored 'General case' 0 N--CA 1.443 -0.784 0 N-CA-C 105.659 -1.978 . . . . 0.0 105.659 -175.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -104.7 155.36 18.94 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.09 1.356 . . . . 0.0 108.063 -174.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 5.1 m -70.13 150.15 46.83 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.708 0.803 . . . . 0.0 110.598 176.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -168.7 -174.47 37.38 Favored Glycine 0 C--N 1.336 0.55 0 N-CA-C 111.343 -0.703 . . . . 0.0 111.343 173.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.36 142.75 51.32 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 171.485 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 16.4 mt -73.54 132.2 33.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 106.217 -1.772 . . . . 0.0 106.217 179.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 79.0 p -107.71 -36.88 6.3 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 117.99 0.359 . . . . 0.0 110.607 -169.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -165.92 142.02 5.07 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.947 0.899 . . . . 0.0 110.997 175.153 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 6.9 t70 -69.04 102.17 1.56 Allowed 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 125.571 1.549 . . . . 0.0 107.579 169.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.4 t -64.63 -49.81 78.65 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 -176.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 144.39 168.48 12.57 Favored Glycine 0 C--N 1.334 0.469 0 N-CA-C 109.587 -1.405 . . . . 0.0 109.587 173.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 60.76 4.83 0.82 Allowed 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 114.787 1.402 . . . . 0.0 114.787 178.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 109.16 -9.33 33.53 Favored Glycine 0 CA--C 1.526 0.73 0 C-N-CA 124.762 1.172 . . . . 0.0 111.109 -173.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -74.93 137.99 42.04 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 120.276 2.038 . . . . 0.0 108.336 170.021 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -128.98 136.68 50.67 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 104.784 -2.302 . . . . 0.0 104.784 169.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 29.6 ttpt -83.75 141.56 31.34 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 177.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.1 mm? -125.21 119.83 29.6 Favored 'General case' 0 CA--C 1.508 -0.646 0 C-N-CA 124.641 1.176 . . . . 0.0 108.336 -170.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 29.3 tp -83.66 94.96 8.22 Favored 'General case' 0 CA--C 1.51 -0.58 0 N-CA-C 104.185 -2.524 . . . . 0.0 104.185 169.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -58.17 142.92 45.88 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 171.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -62.25 -23.01 66.43 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 122.661 0.384 . . . . 0.0 111.231 178.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 29.8 t70 -61.79 -20.2 63.34 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.365 1.466 . . . . 0.0 112.72 173.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 116.65 -2.01 20.06 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 126.167 1.841 . . . . 0.0 112.966 170.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -92.28 159.82 15.43 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 124.871 1.268 . . . . 0.0 110.167 -171.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -139.65 117.11 11.37 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 -177.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 51.0 m -144.6 159.24 43.12 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 124.721 1.208 . . . . 0.0 108.45 177.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -73.76 143.92 45.86 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 171.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 98.8 t -139.92 141.03 34.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 N-CA-C 106.494 -1.669 . . . . 0.0 106.494 171.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 5.4 mt -77.65 149.81 34.65 Favored 'General case' 0 CA--C 1.51 -0.596 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.811 177.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -52.45 -40.29 53.91 Favored Glycine 0 C--N 1.335 0.508 0 C-N-CA 124.814 1.197 . . . . 0.0 112.686 -176.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.67 -31.01 64.01 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 117.801 0.8 . . . . 0.0 112.001 177.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -100.45 23.82 9.74 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.525 1.53 . . . . 0.0 112.841 -172.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -126.5 131.05 71.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 104.809 -2.293 . . . . 0.0 104.809 177.461 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 52.3 mt -112.95 110.76 21.05 Favored 'General case' 0 CA--C 1.522 -0.116 0 N-CA-C 104.696 -2.335 . . . . 0.0 104.696 -174.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1534 ' ' LEU . . . . . 0.561 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -106.71 -3.18 20.82 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -168.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 23.3 p -131.83 53.33 2.0 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 105.818 -1.919 . . . . 0.0 105.818 -177.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 50.9 t0 -118.45 57.58 3.04 Favored Pre-proline 0 CA--C 1.542 0.649 0 N-CA-C 117.032 2.234 . . . . 0.0 117.032 -168.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -70.34 121.97 8.51 Favored 'Trans proline' 0 CA--C 1.544 0.98 1 N-CA-C 99.939 -4.677 . . . . 0.0 99.939 165.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1538 ' ' ILE . . . . . 0.545 HG21 HG11 ' A' 1544 ' ' VAL . 5.1 mm -59.34 121.26 55.05 Favored Pre-proline 0 N--CA 1.468 0.429 0 CA-C-N 119.523 1.056 . . . . 0.0 109.031 -168.041 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -61.84 144.78 97.13 Favored 'Trans proline' 0 N--CA 1.452 -0.953 0 C-N-CA 121.948 1.766 . . . . 0.0 110.592 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1540 ' ' LEU . . . . . 0.481 ' H ' HD12 ' A' 1540 ' ' LEU . 4.0 mp -59.89 147.84 37.04 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 169.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 23.2 t70 74.2 -4.6 2.26 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 127.002 2.121 . . . . 0.0 113.551 -175.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 20.2 m -68.23 135.07 51.42 Favored 'General case' 0 C--O 1.239 0.526 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 169.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -83.14 135.48 34.79 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 171.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1544 ' ' VAL . . . . . 0.545 HG11 HG21 ' A' 1538 ' ' ILE . 2.4 m -147.67 163.59 6.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 C-N-CA 124.506 1.122 . . . . 0.0 109.207 -171.223 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 7.8 m -87.84 139.94 30.01 Favored 'General case' 0 N--CA 1.442 -0.847 0 N-CA-C 105.406 -2.072 . . . . 0.0 105.406 169.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -108.05 136.79 47.15 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 106.486 -1.672 . . . . 0.0 106.486 171.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -137.45 100.36 4.21 Favored 'General case' 0 CA--C 1.516 -0.346 0 C-N-CA 123.455 0.702 . . . . 0.0 109.824 -169.479 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 13.5 m -61.18 121.95 13.82 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 104.248 -2.501 . . . . 0.0 104.248 168.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -44.68 -30.2 0.89 Allowed 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 126.09 1.756 . . . . 0.0 115.546 -168.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 28.4 t70 -68.63 -48.13 64.87 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 118.592 0.633 . . . . 0.0 111.569 -179.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -179.92 -25.82 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 173.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -54.93 121.26 8.27 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 119.168 0.894 . . . . 0.0 111.426 -168.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 10.6 t80 -116.25 129.34 56.23 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 124.828 1.251 . . . . 0.0 110.956 -168.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 2.8 p -151.97 177.62 10.27 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.191 1.396 . . . . 0.0 109.747 170.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -135.76 157.03 47.87 Favored 'General case' 0 N--CA 1.466 0.347 0 O-C-N 120.838 -1.164 . . . . 0.0 111.048 172.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.65 -160.95 20.38 Favored Glycine 0 CA--C 1.528 0.885 0 C-N-CA 126.628 2.061 . . . . 0.0 108.773 -171.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.9 t -130.12 142.04 44.81 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-N 118.633 1.217 . . . . 0.0 109.591 -173.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 90.4 t -65.85 126.12 24.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 171.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 82.3 mttt -130.44 18.87 5.29 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.458 1.026 . . . . 0.0 111.628 169.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 178.39 179.38 48.29 Favored Glycine 0 C--N 1.337 0.628 0 O-C-N 121.774 -0.579 . . . . 0.0 111.978 171.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 9.9 m80 -142.84 155.96 44.87 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 126.181 1.792 . . . . 0.0 110.992 -171.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 50.3 ttt180 -151.26 160.42 43.83 Favored 'General case' 0 N--CA 1.462 0.127 0 C-N-CA 125.309 1.444 . . . . 0.0 107.41 170.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -129.45 126.08 37.91 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 106.372 -1.714 . . . . 0.0 106.372 169.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -150.57 139.11 20.55 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 -174.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 27.8 m 50.26 30.81 4.65 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.343 1.057 . . . . 0.0 113.755 179.035 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 66.69 33.15 83.46 Favored Glycine 0 CA--C 1.531 1.09 0 O-C-N 121.637 -0.665 . . . . 0.0 112.41 -178.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -139.38 149.93 44.72 Favored 'General case' 0 C--O 1.237 0.412 0 N-CA-C 106.498 -1.667 . . . . 0.0 106.498 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 44.7 tp -97.06 134.71 40.06 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 124.322 1.049 . . . . 0.0 108.783 -171.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -127.69 158.07 38.59 Favored 'General case' 0 CA--C 1.516 -0.362 0 C-N-CA 125.247 1.419 . . . . 0.0 109.587 -173.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1570 ' ' TYR . . . . . 0.441 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 40.0 m-85 -141.78 129.09 21.12 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 106.63 -1.618 . . . . 0.0 106.63 -172.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.2 p -86.6 98.27 11.0 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 104.921 -2.252 . . . . 0.0 104.921 169.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 41.6 mm -79.98 127.99 38.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 N-CA-C 106.46 -1.681 . . . . 0.0 106.46 178.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -84.85 125.13 32.35 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 104.055 -2.572 . . . . 0.0 104.055 168.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 30.8 ttpt -144.74 135.07 24.3 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 105.015 -2.217 . . . . 0.0 105.015 -173.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 53.7 27.26 6.68 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.528 0.731 . . . . 0.0 112.467 -175.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 76.26 17.77 79.75 Favored Glycine 0 CA--C 1.532 1.108 0 O-C-N 121.603 -0.685 . . . . 0.0 113.42 176.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -140.71 162.23 35.89 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 124.755 1.222 . . . . 0.0 108.339 176.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -101.78 143.57 31.53 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 119.363 0.983 . . . . 0.0 109.917 -170.246 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -144.45 131.7 20.69 Favored 'General case' 0 C--N 1.334 -0.069 0 N-CA-C 106.244 -1.762 . . . . 0.0 106.244 -173.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 90.6 m95 -80.8 130.56 35.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 118.81 0.732 . . . . 0.0 109.91 176.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -133.1 159.5 39.92 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.743 1.217 . . . . 0.0 107.905 169.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 17.0 ptmt -101.36 164.41 11.79 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.647 1.179 . . . . 0.0 109.859 -176.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 61.3 ttp85 -42.3 -55.46 3.34 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.651 1.18 . . . . 0.0 113.632 179.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -71.1 -12.13 61.33 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 121.095 1.771 . . . . 0.0 114.374 -178.4 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -90.25 -16.29 29.65 Favored 'General case' 0 C--O 1.223 -0.292 0 C-N-CA 124.567 1.147 . . . . 0.0 110.757 171.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 62.0 t -109.15 91.04 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.656 0 N-CA-C 104.658 -2.349 . . . . 0.0 104.658 -176.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 6.5 pt -118.06 156.49 19.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 114.484 -1.235 . . . . 0.0 107.757 -169.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 3.4 mt -105.57 118.19 35.94 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 -170.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.33 145.61 21.6 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 106.33 -1.73 . . . . 0.0 106.33 169.533 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.7 pp -54.33 -35.39 62.64 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.568 1.076 . . . . 0.0 113.352 -169.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 30.3 tp10 -67.73 -39.23 84.28 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 121.682 -0.636 . . . . 0.0 110.183 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -63.19 -51.98 64.13 Favored 'General case' 0 C--O 1.225 -0.236 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 174.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -59.39 -33.43 76.03 Favored Glycine 0 C--N 1.338 0.675 0 C-N-CA 124.185 0.898 . . . . 0.0 112.243 -175.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -57.72 -45.52 85.65 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 118.436 1.118 . . . . 0.0 111.196 176.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 18.7 mtt-85 -62.36 -19.39 63.32 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.065 0.546 . . . . 0.0 112.324 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.1 mp -94.26 -29.66 14.95 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.04 0.936 . . . . 0.0 110.398 173.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -56.4 -38.77 71.96 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.713 1.205 . . . . 0.0 112.049 -175.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -59.23 -21.18 59.15 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 118.189 -0.91 . . . . 0.0 113.382 177.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -114.36 -48.03 2.9 Favored 'General case' 0 C--N 1.347 0.491 0 CA-C-N 119.987 1.267 . . . . 0.0 112.046 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 9.1 m-30 -90.78 -11.07 40.58 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 124.421 1.088 . . . . 0.0 112.358 -170.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -53.57 131.51 43.13 Favored Glycine 0 CA--C 1.529 0.933 0 C-N-CA 125.396 1.474 . . . . 0.0 110.378 176.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1602 ' ' LEU . . . . . 0.561 HD22 HD23 ' A' 1534 ' ' LEU . 1.0 OUTLIER -65.08 -42.47 94.07 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 118.187 0.993 . . . . 0.0 109.679 174.428 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.373 0 N-CA-C 109.291 -1.524 . . . . 0.0 109.291 -173.646 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 363' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 120.778 0.323 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -131.58 142.89 50.0 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 105.523 -2.029 . . . . 0.0 105.523 168.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 365' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -69.81 170.71 10.5 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.54 0.736 . . . . 0.0 110.52 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 366' ' ' SER . . . . . . . . . . . . . 20.2 m -54.72 168.56 0.27 Allowed 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.53 1.132 . . . . 0.0 112.09 170.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 6.0 m -56.94 -27.61 61.28 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 -174.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 368' ' ' HIS . . . . . . . . . . . . . 71.2 t60 45.9 -111.35 0.29 Allowed 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.182 1.393 . . . . 0.0 109.671 -174.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 16.4 tp -145.6 139.0 26.36 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 106.646 -1.613 . . . . 0.0 106.646 -178.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 370' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.303 0 C-N-CA 126.979 2.112 . . . . 0.0 105.483 175.555 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 371' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -24.71 -55.13 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 130.551 3.54 . . . . 0.0 115.911 -169.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 372' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -132.55 8.66 4.25 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.401 0.68 . . . . 0.0 112.823 -178.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 373' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -65.74 -43.39 89.15 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 121.487 -0.758 . . . . 0.0 109.593 174.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 374' ' ' GLY . . . . . . . . . . . . . . . -170.91 31.93 0.14 Allowed Glycine 0 CA--C 1.529 0.923 0 CA-C-O 119.403 -0.665 . . . . 0.0 112.601 -178.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -133.74 19.25 3.86 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.66 1.184 . . . . 0.0 110.885 -177.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 4.6 m -66.51 -18.16 65.21 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.552 1.141 . . . . 0.0 113.118 -174.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 15.1 m . . . . . 0 C--O 1.253 1.252 0 C-N-CA 125.879 1.671 . . . . 0.0 106.508 -175.151 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.522 0 N-CA-C 112.095 -0.402 . . . . 0.0 112.095 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 12.7 t60 -151.41 167.43 27.98 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.879 1.272 . . . . 0.0 108.972 177.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 97.3 mmm -63.31 159.85 17.14 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.773 0.829 . . . . 0.0 110.51 172.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 50.0 t30 -149.28 158.81 44.49 Favored 'General case' 0 N--CA 1.462 0.149 0 C-N-CA 125.324 1.449 . . . . 0.0 108.595 176.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 18.5 m -64.59 95.42 0.14 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.252 1.021 . . . . 0.0 109.989 176.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 95.0 m-85 67.0 -65.1 0.23 Allowed 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 127.772 2.429 . . . . 0.0 114.074 172.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 6.4 t -57.04 114.51 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.556 0 C-N-CA 125.679 1.592 . . . . 0.0 108.806 -176.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 115.18 -22.5 12.2 Favored Glycine 0 CA--C 1.531 1.092 0 C-N-CA 125.127 1.346 . . . . 0.0 112.826 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 9.1 mp -74.23 140.48 45.08 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.749 1.274 . . . . 0.0 111.022 -174.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 54.4 mtp180 -81.65 126.71 32.09 Favored 'General case' 0 C--O 1.23 0.048 0 N-CA-C 105.801 -1.926 . . . . 0.0 105.801 168.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 15.9 m -143.77 -175.18 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 C-N-CA 125.139 1.376 . . . . 0.0 107.96 -173.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.7 t -121.41 145.75 27.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 105.661 -1.977 . . . . 0.0 105.661 170.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -147.4 152.42 38.13 Favored 'General case' 0 CA--C 1.519 -0.247 0 C-N-CA 124.18 0.992 . . . . 0.0 109.692 -169.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 78.0 tttt -83.81 130.38 34.93 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 107.618 -1.252 . . . . 0.0 107.618 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 20.8 t-105 -75.18 138.15 41.79 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 169.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 1.3 m -61.45 -23.48 65.88 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 118.061 2.615 . . . . 0.0 118.061 -168.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 7.0 m -76.76 45.26 0.41 Allowed 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 121.121 1.782 . . . . 0.0 111.77 179.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 66.9 t30 46.77 43.56 13.18 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.033 1.733 . . . . 0.0 110.96 -169.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -89.19 -178.77 45.7 Favored Glycine 0 C--N 1.337 0.609 0 CA-C-O 122.353 0.974 . . . . 0.0 113.363 -169.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 10.1 m-30 -69.38 167.94 15.46 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 126.254 1.822 . . . . 0.0 109.923 170.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -94.49 107.98 19.94 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 105.225 -2.139 . . . . 0.0 105.225 -177.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -97.65 149.23 22.49 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -176.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 4.3 m -69.85 148.55 48.93 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.441 0.696 . . . . 0.0 109.772 175.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -173.16 -174.64 40.38 Favored Glycine 0 C--N 1.334 0.441 0 O-C-N 121.477 -0.764 . . . . 0.0 112.165 -177.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -129.92 129.22 43.59 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 125.919 1.687 . . . . 0.0 107.085 -172.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 23.3 mt -73.21 130.81 35.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 106.795 -1.558 . . . . 0.0 106.795 179.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 58.6 p -107.43 -35.78 6.67 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 123.231 0.613 . . . . 0.0 110.727 -170.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -167.81 141.47 3.41 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.744 0.818 . . . . 0.0 111.298 175.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 6.8 t0 -68.93 102.94 1.69 Allowed 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 124.994 1.318 . . . . 0.0 107.712 168.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.6 t -65.59 -50.84 69.24 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 -175.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 149.5 163.19 10.87 Favored Glycine 0 C--N 1.34 0.764 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 178.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.74 10.7 0.77 Allowed 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 115.205 1.558 . . . . 0.0 115.205 177.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 104.06 -5.92 46.6 Favored Glycine 0 C--N 1.337 0.621 0 C-N-CA 124.831 1.205 . . . . 0.0 111.53 -176.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 10.8 mtpp -74.94 135.31 41.41 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 120.36 2.08 . . . . 0.0 106.816 170.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -126.24 136.85 53.3 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 105.09 -2.189 . . . . 0.0 105.09 169.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -83.04 137.93 33.93 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 177.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.2 mm? -124.51 118.41 26.53 Favored 'General case' 0 CA--C 1.511 -0.543 0 C-N-CA 125.167 1.387 . . . . 0.0 108.387 -169.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 31.2 tp -83.79 93.45 7.97 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 104.353 -2.462 . . . . 0.0 104.353 168.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -56.14 146.91 21.72 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 172.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -66.86 -20.75 65.98 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.624 -171.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 36.3 p-10 -78.84 2.74 18.97 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.806 1.243 . . . . 0.0 113.29 171.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 105.34 -5.99 41.88 Favored Glycine 0 CA--C 1.532 1.108 0 C-N-CA 125.442 1.496 . . . . 0.0 114.992 169.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -85.11 157.06 20.79 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 118.326 1.063 . . . . 0.0 110.215 -172.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -139.07 117.66 12.17 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 -174.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 62.1 m -143.6 161.38 38.66 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 125.16 1.384 . . . . 0.0 108.141 176.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -85.0 142.24 29.75 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 171.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 80.4 t -142.19 137.7 29.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 N-CA-C 107.486 -1.301 . . . . 0.0 107.486 -178.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.7 mt -74.25 152.66 39.66 Favored 'General case' 0 C--O 1.22 -0.471 0 C-N-CA 123.16 0.584 . . . . 0.0 111.954 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -57.73 -38.07 86.54 Favored Glycine 0 C--N 1.335 0.501 0 C-N-CA 124.317 0.96 . . . . 0.0 112.629 -176.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -20.12 58.48 Favored 'General case' 0 C--O 1.223 -0.332 0 O-C-N 121.884 -0.774 . . . . 0.0 112.451 175.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -104.9 21.5 16.9 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.411 1.484 . . . . 0.0 111.892 -175.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -132.59 137.24 54.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 N-CA-C 106.308 -1.738 . . . . 0.0 106.308 -179.187 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 54.9 mt -117.2 114.99 24.45 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 127.313 2.245 . . . . 0.0 105.154 -176.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1534 ' ' LEU . . . . . 0.555 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -110.55 -4.64 15.38 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 116.475 2.028 . . . . 0.0 116.475 -169.101 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 24.5 p -131.57 52.18 2.09 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 106.185 -1.783 . . . . 0.0 106.185 -177.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 52.6 t0 -115.78 65.01 2.42 Favored Pre-proline 0 CA--C 1.537 0.45 0 N-CA-C 116.609 2.077 . . . . 0.0 116.609 -168.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -72.46 119.19 5.97 Favored 'Trans proline' 0 CA--C 1.547 1.146 1 N-CA-C 101.015 -4.263 . . . . 0.0 101.015 166.02 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1538 ' ' ILE . . . . . 0.478 HG21 HG11 ' A' 1544 ' ' VAL . 9.9 mm -58.62 120.15 42.78 Favored Pre-proline 0 CA--C 1.538 0.491 0 CA-C-O 118.211 -0.899 . . . . 0.0 108.898 -168.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -61.9 144.09 96.25 Favored 'Trans proline' 0 N--CA 1.451 -1.006 0 C-N-CA 121.892 1.728 . . . . 0.0 110.393 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1540 ' ' LEU . . . . . 0.411 ' H ' HD12 ' A' 1540 ' ' LEU . 4.0 mp -59.65 148.15 34.82 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 169.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 18.5 t70 74.14 -3.6 2.49 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.723 2.009 . . . . 0.0 113.686 -175.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 20.5 m -70.79 134.61 47.54 Favored 'General case' 0 C--O 1.239 0.501 0 O-C-N 120.931 -1.106 . . . . 0.0 108.191 170.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -77.15 136.23 38.59 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 169.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1544 ' ' VAL . . . . . 0.478 HG11 HG21 ' A' 1538 ' ' ILE . 1.6 m -147.79 163.65 6.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 124.551 1.141 . . . . 0.0 109.799 -175.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 8.7 m -88.69 143.88 26.64 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 105.984 -1.858 . . . . 0.0 105.984 169.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -119.08 140.67 49.7 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 125.609 1.563 . . . . 0.0 107.317 175.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1547 ' ' LEU . . . . . 0.623 HD11 HD22 ' B' ' 369' ' ' LEU . 0.3 OUTLIER -139.0 117.12 11.76 Favored 'General case' 0 CA--C 1.517 -0.326 0 C-N-CA 123.786 0.834 . . . . 0.0 110.098 -169.524 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 20.1 m -65.19 150.92 47.35 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 168.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -67.92 15.32 0.05 OUTLIER 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 126.316 1.847 . . . . 0.0 114.798 -169.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 36.0 t70 -123.49 -57.47 1.66 Allowed 'General case' 0 CA--C 1.532 0.277 0 O-C-N 121.114 -0.991 . . . . 0.0 111.094 178.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -167.17 -21.51 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 114.968 1.47 . . . . 0.0 114.968 169.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -55.84 122.71 12.12 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 118.755 0.707 . . . . 0.0 110.058 -170.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 1.4 t80 -121.14 131.98 54.58 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 125.334 1.454 . . . . 0.0 109.964 -168.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 2.2 p -152.09 177.89 10.03 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.692 1.597 . . . . 0.0 109.026 173.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -134.95 157.15 47.65 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 120.941 -1.099 . . . . 0.0 111.054 173.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.09 -160.11 17.61 Favored Glycine 0 CA--C 1.528 0.886 0 C-N-CA 126.686 2.088 . . . . 0.0 108.925 -172.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.9 t -130.95 143.58 40.42 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-N 118.481 1.14 . . . . 0.0 109.802 -174.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 58.0 t -66.3 127.01 26.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 174.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -132.71 20.43 4.23 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 119.132 0.878 . . . . 0.0 111.79 173.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 172.98 179.58 43.76 Favored Glycine 0 C--N 1.332 0.339 0 N-CA-C 111.044 -0.823 . . . . 0.0 111.044 169.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 9.8 m80 -141.55 155.09 45.8 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 126.262 1.825 . . . . 0.0 111.147 -174.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 46.0 ttt180 -150.31 161.86 41.64 Favored 'General case' 0 N--CA 1.46 0.072 0 C-N-CA 125.7 1.6 . . . . 0.0 107.167 171.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -131.13 124.52 30.89 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 106.271 -1.752 . . . . 0.0 106.271 170.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -150.5 140.23 21.73 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 -173.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 30.5 m 50.48 29.41 3.95 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.551 1.14 . . . . 0.0 113.56 178.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 67.46 34.26 84.08 Favored Glycine 0 CA--C 1.533 1.171 0 O-C-N 121.807 -0.558 . . . . 0.0 112.075 -178.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -140.34 152.01 45.47 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 106.671 -1.603 . . . . 0.0 106.671 177.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 36.6 tp -95.14 135.48 36.65 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 125.024 1.33 . . . . 0.0 108.428 -172.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -127.76 157.42 40.42 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 125.327 1.451 . . . . 0.0 109.386 -173.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -142.57 125.69 16.36 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 105.203 -2.147 . . . . 0.0 105.203 -170.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.1 p -85.88 92.18 8.57 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 105.459 -2.052 . . . . 0.0 105.459 170.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 43.0 mm -74.57 129.14 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -82.85 122.21 27.94 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 103.715 -2.698 . . . . 0.0 103.715 168.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -144.28 137.67 27.4 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 104.864 -2.273 . . . . 0.0 104.864 -176.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 54.18 27.51 7.86 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.556 0.742 . . . . 0.0 112.305 -174.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 81.67 12.24 81.87 Favored Glycine 0 CA--C 1.532 1.122 0 CA-C-O 119.017 -0.88 . . . . 0.0 113.607 175.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -143.35 154.58 43.89 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 118.563 1.181 . . . . 0.0 109.485 -178.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 77.5 mtm180 -84.63 145.17 28.14 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 121.096 -1.002 . . . . 0.0 110.214 -176.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.4 tmtm? -143.57 131.15 21.18 Favored 'General case' 0 C--O 1.227 -0.114 0 C-N-CA 126.441 1.896 . . . . 0.0 106.0 -176.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 90.3 m95 -80.57 131.23 35.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 119.008 0.822 . . . . 0.0 109.936 178.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -133.41 162.88 30.65 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.472 1.509 . . . . 0.0 107.451 169.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -110.05 167.65 10.02 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.781 1.232 . . . . 0.0 110.695 -174.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 21.1 ttp180 -51.69 -45.82 63.64 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 120.796 -1.19 . . . . 0.0 114.076 -174.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 2.0 ppp? -72.02 -19.21 61.89 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 120.633 1.56 . . . . 0.0 113.008 177.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -85.49 -13.25 49.68 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 118.145 -0.931 . . . . 0.0 111.2 175.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 67.2 t -113.29 92.07 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 N-CA-C 105.948 -1.871 . . . . 0.0 105.948 -175.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 12.7 pt -109.93 161.71 8.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 -174.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 4.6 mt -108.32 123.63 49.11 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 -171.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.25 137.52 58.11 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 106.014 -1.847 . . . . 0.0 106.014 168.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 3.1 pp -54.56 -36.14 64.02 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -169.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -62.28 -39.6 93.49 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.617 -0.677 . . . . 0.0 109.801 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 42.9 mm-40 -75.98 -45.64 33.74 Favored 'General case' 0 C--O 1.222 -0.353 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 -178.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -60.33 -29.68 69.49 Favored Glycine 0 CA--C 1.524 0.634 0 C-N-CA 123.724 0.678 . . . . 0.0 111.864 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -58.15 -39.93 80.09 Favored 'General case' 0 N--CA 1.464 0.243 0 O-C-N 121.373 -1.075 . . . . 0.0 112.275 173.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -59.97 -21.81 61.71 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 119.029 0.832 . . . . 0.0 111.725 177.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 7.5 mp -96.25 -26.89 15.25 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 124.568 1.147 . . . . 0.0 110.738 178.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 65.2 ttp85 -56.28 -39.31 72.46 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 119.799 1.181 . . . . 0.0 111.718 -177.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -59.29 -20.32 53.42 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 178.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -114.58 -48.87 2.84 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-N 119.893 1.224 . . . . 0.0 111.893 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.1 m-30 -91.49 -9.56 44.01 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.66 1.184 . . . . 0.0 112.34 -169.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -54.44 131.39 46.12 Favored Glycine 0 CA--C 1.527 0.818 0 C-N-CA 125.402 1.477 . . . . 0.0 111.018 177.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1602 ' ' LEU . . . . . 0.555 HD22 HD23 ' A' 1534 ' ' LEU . 0.8 OUTLIER -66.34 -44.78 82.32 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 118.53 1.165 . . . . 0.0 109.784 174.543 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.272 0 CA-C-O 118.087 -1.396 . . . . 0.0 109.918 -173.583 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 363' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 . . . . . 0 N--CA 1.496 1.858 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -69.64 -45.8 67.63 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.837 -0.539 . . . . 0.0 110.132 178.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 365' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -161.25 168.52 23.93 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.232 1.813 . . . . 0.0 107.731 177.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 366' ' ' SER . . . . . . . . . . . . . 68.5 m -68.68 179.46 1.73 Allowed 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.107 0.563 . . . . 0.0 110.901 169.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 5.4 m -55.52 -25.99 40.44 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.596 1.158 . . . . 0.0 113.604 178.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 368' ' ' HIS . . . . . . . . . . . . . 3.1 t60 49.79 -96.77 0.04 OUTLIER 'General case' 0 C--N 1.342 0.263 0 C-N-CA 126.75 2.02 . . . . 0.0 110.749 -169.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 369' ' ' LEU . . . . . 0.623 HD22 HD11 ' A' 1547 ' ' LEU . 34.9 tp -160.53 151.36 18.7 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 119.241 0.928 . . . . 0.0 109.246 -170.045 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 370' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.536 0 N-CA-C 104.643 -2.354 . . . . 0.0 104.643 168.608 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 371' ' ' SER . . . . . . . . . . . . . 2.3 p -103.37 19.94 18.75 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.188 0.995 . . . . 0.0 111.4 -169.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 372' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -59.86 159.45 9.0 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 107.942 -1.132 . . . . 0.0 107.942 169.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 373' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -54.34 -38.84 66.49 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.644 -0.66 . . . . 0.0 112.584 -174.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 374' ' ' GLY . . . . . . . . . . . . . . . -89.5 -7.0 69.85 Favored Glycine 0 CA--C 1.531 1.041 0 CA-C-O 119.487 -0.619 . . . . 0.0 113.881 -178.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 47.76 40.91 13.19 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.925 1.69 . . . . 0.0 111.752 -169.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 29.4 p -149.49 168.21 24.1 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.114 1.366 . . . . 0.0 110.109 -175.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 99.4 m . . . . . 0 C--O 1.255 1.367 0 N-CA-C 105.513 -2.032 . . . . 0.0 105.513 173.833 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.734 0 N-CA-C 111.786 -0.526 . . . . 0.0 111.786 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -150.08 166.89 28.39 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 124.71 1.204 . . . . 0.0 109.028 178.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 97.6 mmm -63.7 152.38 39.3 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.205 1.002 . . . . 0.0 109.962 173.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 63.3 t30 -66.85 159.27 28.54 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.884 -0.143 . . . . 0.0 110.621 172.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 16.5 m -67.73 85.95 0.21 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.035 1.334 . . . . 0.0 110.112 174.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 91.4 m-85 69.45 -62.06 0.42 Allowed 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 127.871 2.468 . . . . 0.0 113.977 170.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 6.7 t -58.36 115.85 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 C-N-CA 125.382 1.473 . . . . 0.0 108.602 -174.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 111.76 -19.87 23.02 Favored Glycine 0 CA--C 1.532 1.11 0 C-N-CA 125.279 1.418 . . . . 0.0 112.807 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 9.7 mp -75.6 137.68 40.94 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 118.932 1.366 . . . . 0.0 110.465 -172.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 54.2 mtm180 -77.25 126.86 31.62 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 106.318 -1.734 . . . . 0.0 106.318 168.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 19.7 m -147.49 -175.81 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 125.627 1.571 . . . . 0.0 107.674 -172.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 3.5 t -122.13 144.22 32.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 106.044 -1.835 . . . . 0.0 106.044 171.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -146.79 152.88 39.48 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 124.46 1.104 . . . . 0.0 109.033 -169.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 77.7 tttt -83.83 129.74 34.93 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 179.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1495 ' ' TRP . . . . . 0.495 ' CE3' HH12 ' B' ' 370' ' ' MLY . 23.2 t-105 -73.19 137.96 45.38 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 169.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 1.4 m -63.31 -21.15 66.08 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 118.162 2.653 . . . . 0.0 118.162 -168.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 9.2 m -76.97 47.59 0.54 Allowed 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 121.382 1.901 . . . . 0.0 111.678 177.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 66.0 t30 44.78 44.4 7.63 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.223 1.809 . . . . 0.0 111.316 -169.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -89.69 -178.26 45.17 Favored Glycine 0 C--N 1.341 0.812 0 CA-C-O 122.302 0.946 . . . . 0.0 113.679 -169.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 9.7 m-30 -72.57 168.61 18.26 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 125.778 1.631 . . . . 0.0 109.489 169.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 2.2 m-30 -94.16 108.21 20.09 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 105.533 -2.025 . . . . 0.0 105.533 -174.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -98.66 155.5 17.29 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.51 1.124 . . . . 0.0 108.311 -176.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 14.8 m -78.89 148.7 32.65 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.975 -0.453 . . . . 0.0 110.323 178.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -170.97 -179.5 42.2 Favored Glycine 0 CA--C 1.522 0.499 0 O-C-N 122.012 -0.43 . . . . 0.0 112.16 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.57 137.23 52.14 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 106.554 -1.647 . . . . 0.0 106.554 178.005 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 15.1 mt -72.02 135.7 27.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 106.428 -1.693 . . . . 0.0 106.428 173.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 60.7 p -111.24 -37.7 5.23 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 123.061 0.544 . . . . 0.0 110.877 -170.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -165.12 142.0 5.81 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.715 0.806 . . . . 0.0 111.058 174.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 7.3 t70 -69.31 102.27 1.69 Allowed 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.943 1.297 . . . . 0.0 108.086 169.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -65.35 -49.67 77.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 -175.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 145.96 164.94 11.15 Favored Glycine 0 C--N 1.34 0.803 0 N-CA-C 109.894 -1.282 . . . . 0.0 109.894 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 59.24 7.22 0.85 Allowed 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 114.951 1.463 . . . . 0.0 114.951 178.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 105.65 -7.53 42.46 Favored Glycine 0 C--O 1.22 -0.726 0 C-N-CA 124.487 1.041 . . . . 0.0 111.443 -173.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -75.45 137.44 40.96 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 120.099 1.949 . . . . 0.0 107.65 169.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -127.66 139.63 52.6 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 104.614 -2.365 . . . . 0.0 104.614 169.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 12.7 ttpp -86.2 141.54 29.25 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 178.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . 0.427 HD21 HD13 ' A' 1532 ' ' ILE . 3.2 mm? -125.06 118.98 27.38 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -169.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 38.1 tp -82.37 92.67 7.04 Favored 'General case' 0 CA--C 1.511 -0.528 0 N-CA-C 103.868 -2.641 . . . . 0.0 103.868 169.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -56.95 146.11 27.92 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 170.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -65.05 -19.33 65.94 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -169.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 36.6 p-10 -79.24 -0.75 33.42 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.145 1.378 . . . . 0.0 113.283 173.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 108.75 -5.82 32.9 Favored Glycine 0 CA--C 1.532 1.107 0 C-N-CA 125.497 1.522 . . . . 0.0 114.298 169.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -80.2 155.38 27.41 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 118.114 0.957 . . . . 0.0 110.362 -174.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -139.7 122.26 16.25 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 124.599 1.16 . . . . 0.0 109.13 176.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 99.9 m -141.09 162.93 34.32 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 125.595 1.558 . . . . 0.0 107.614 170.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -74.52 142.66 44.77 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 170.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 96.4 t -139.38 135.95 40.84 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.237 0 N-CA-C 106.902 -1.518 . . . . 0.0 106.902 172.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 7.7 mt -72.81 149.78 43.32 Favored 'General case' 0 C--O 1.218 -0.554 0 C-N-CA 123.381 0.672 . . . . 0.0 111.284 178.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -57.99 -34.04 70.97 Favored Glycine 0 CA--C 1.522 0.52 0 CA-C-O 119.434 -0.648 . . . . 0.0 113.621 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1530 ' ' LYS . . . . . . . . . . . . 0.25 0.0 OUTLIER -71.39 8.43 1.05 Allowed 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 118.66 1.23 . . . . 0.0 112.919 172.477 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -129.76 22.85 5.4 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.209 1.803 . . . . 0.0 111.792 175.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1532 ' ' ILE . . . . . 0.427 HD13 HD21 ' A' 1517 ' ' LEU . 1.9 mt -132.06 140.72 47.25 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 O-C-N 120.625 -1.297 . . . . 0.0 107.881 176.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 73.5 mt -119.96 117.71 28.77 Favored 'General case' 0 C--O 1.227 -0.087 0 C-N-CA 127.783 2.433 . . . . 0.0 104.562 -178.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1534 ' ' LEU . . . . . 0.503 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -113.15 -4.16 13.83 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 116.712 2.116 . . . . 0.0 116.712 -169.289 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 24.8 p -131.62 51.83 2.11 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 105.72 -1.956 . . . . 0.0 105.72 -178.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 50.2 t0 -117.82 59.87 3.23 Favored Pre-proline 0 CA--C 1.538 0.486 0 N-CA-C 116.326 1.973 . . . . 0.0 116.326 -168.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -70.8 120.82 7.36 Favored 'Trans proline' 0 CA--C 1.543 0.973 1 N-CA-C 100.198 -4.578 . . . . 0.0 100.198 165.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 11.5 mm -59.14 123.41 69.42 Favored Pre-proline 0 CA--C 1.537 0.471 0 CA-C-N 119.065 0.848 . . . . 0.0 109.24 -168.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -60.4 143.87 99.49 Favored 'Trans proline' 0 N--CA 1.449 -1.099 0 C-N-CA 121.939 1.76 . . . . 0.0 110.311 177.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1540 ' ' LEU . . . . . 0.505 ' H ' HD12 ' A' 1540 ' ' LEU . 4.1 mp -59.44 147.82 35.09 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 169.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 23.0 t70 75.96 -5.93 2.08 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 127.343 2.257 . . . . 0.0 113.5 -175.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 19.0 m -68.93 135.8 51.57 Favored 'General case' 0 C--N 1.343 0.318 0 O-C-N 120.835 -1.166 . . . . 0.0 108.243 170.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -78.5 138.44 38.43 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 170.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 1.8 m -146.46 160.65 10.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 C-N-CA 124.546 1.138 . . . . 0.0 109.572 -175.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 8.8 m -90.23 132.35 35.55 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 105.563 -2.014 . . . . 0.0 105.563 169.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -100.68 146.26 27.41 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 169.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1547 ' ' LEU . . . . . 0.684 HD11 HD22 ' B' ' 369' ' ' LEU . 3.9 mt -138.45 102.92 4.75 Favored 'General case' 0 CA--C 1.511 -0.539 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 -179.157 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 1.3 m -61.66 139.19 58.32 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 105.18 -2.156 . . . . 0.0 105.18 168.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -49.7 14.72 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.851 1 C-N-CA 132.118 4.167 . . . . 0.0 119.728 -168.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 26.9 t70 -119.93 -70.79 0.77 Allowed 'General case' 0 C--O 1.233 0.23 0 CA-C-N 119.741 1.155 . . . . 0.0 109.285 171.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -162.57 25.55 0.1 Allowed 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 119.205 0.911 . . . . 0.0 113.125 170.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -84.16 73.42 10.42 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 120.743 -1.223 . . . . 0.0 109.783 -174.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 18.4 t80 -60.38 128.89 38.92 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 125.723 1.609 . . . . 0.0 110.328 171.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 2.9 p -152.66 177.63 10.47 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.323 1.849 . . . . 0.0 108.121 169.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -139.84 157.36 45.84 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 120.684 1.584 . . . . 0.0 111.699 173.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -172.84 -160.15 20.86 Favored Glycine 0 CA--C 1.525 0.705 0 C-N-CA 126.402 1.953 . . . . 0.0 108.82 -172.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.0 t -131.1 142.64 43.02 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.378 0 CA-C-N 118.612 1.206 . . . . 0.0 109.085 -173.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 79.3 t -64.69 125.81 22.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 172.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 83.0 mttt -130.56 19.66 5.19 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 119.304 0.956 . . . . 0.0 111.72 170.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 177.11 179.59 47.54 Favored Glycine 0 CA--C 1.525 0.702 0 O-C-N 121.778 -0.576 . . . . 0.0 111.956 170.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 8.5 m80 -142.67 153.56 43.52 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 126.295 1.838 . . . . 0.0 111.221 -171.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -148.64 162.62 39.34 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 125.617 1.567 . . . . 0.0 107.347 170.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -129.88 127.87 41.07 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 106.405 -1.702 . . . . 0.0 106.405 169.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -150.47 141.37 22.88 Favored 'General case' 0 CA--C 1.522 -0.134 0 N-CA-C 107.791 -1.188 . . . . 0.0 107.791 -175.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 24.4 m 50.99 30.35 5.25 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.144 0.978 . . . . 0.0 113.371 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 67.92 32.07 76.64 Favored Glycine 0 CA--C 1.531 1.033 0 CA-C-O 119.436 -0.646 . . . . 0.0 112.182 -178.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -143.95 154.25 43.11 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 118.878 1.339 . . . . 0.0 107.873 -178.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 33.9 tp -93.01 140.27 29.65 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 124.257 1.023 . . . . 0.0 109.807 -169.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -129.97 158.22 40.17 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 125.657 1.583 . . . . 0.0 108.745 -176.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -141.15 130.21 23.31 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 -173.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.55 95.55 10.08 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 104.955 -2.239 . . . . 0.0 104.955 169.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 38.2 mm -78.32 128.05 38.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 N-CA-C 106.405 -1.702 . . . . 0.0 106.405 178.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -84.45 119.8 25.56 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 103.656 -2.72 . . . . 0.0 103.656 168.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 23.9 ttpt -142.2 132.75 25.28 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 105.027 -2.212 . . . . 0.0 105.027 -170.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 51.94 28.05 4.86 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.543 0.737 . . . . 0.0 112.719 -174.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 78.43 18.91 75.11 Favored Glycine 0 CA--C 1.531 1.051 0 CA-C-O 119.263 -0.743 . . . . 0.0 113.116 176.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -135.69 147.68 48.6 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 118.461 1.13 . . . . 0.0 108.745 175.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -82.75 138.35 34.07 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 176.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -142.46 130.71 22.14 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 106.173 -1.788 . . . . 0.0 106.173 -173.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 87.7 m95 -80.41 129.34 34.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 118.507 0.594 . . . . 0.0 109.444 178.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -131.51 161.55 32.32 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.986 1.314 . . . . 0.0 107.972 169.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -104.8 166.69 10.22 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.892 1.277 . . . . 0.0 110.097 -176.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 19.1 ttp180 -50.64 -44.67 57.51 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 -177.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 2.2 ppp? -74.38 -18.15 60.71 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 121.735 2.061 . . . . 0.0 113.173 177.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -86.49 -8.3 57.69 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 118.311 -0.852 . . . . 0.0 111.174 174.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 92.2 t -119.57 97.21 4.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 -177.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 9.6 pt -113.91 164.41 10.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 -173.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 10.1 mt -110.41 124.82 52.44 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 -175.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.44 143.58 39.81 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 169.303 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 3.3 pp -56.88 -34.08 67.51 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.288 0.949 . . . . 0.0 112.3 -169.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -67.07 -36.17 81.42 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.944 -0.472 . . . . 0.0 110.424 179.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -69.27 -50.08 50.15 Favored 'General case' 0 C--O 1.225 -0.229 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 175.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -56.68 -32.99 62.17 Favored Glycine 0 C--N 1.337 0.625 0 C-N-CA 123.725 0.679 . . . . 0.0 112.503 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -59.37 -43.49 92.87 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 118.235 1.017 . . . . 0.0 111.53 175.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 -64.91 -12.18 46.31 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.766 0.827 . . . . 0.0 111.702 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 9.1 mp -103.94 -23.41 13.36 Favored 'General case' 0 C--N 1.343 0.295 0 C-N-CA 124.881 1.272 . . . . 0.0 111.329 176.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 51.2 mtm180 -55.95 -38.63 70.61 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 121.24 1.836 . . . . 0.0 111.067 178.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -57.87 -22.32 47.57 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-O 118.057 -0.973 . . . . 0.0 113.334 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -116.74 -47.68 2.7 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-N 120.013 1.279 . . . . 0.0 112.468 176.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.0 m-30 -93.38 -7.72 43.87 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 124.057 0.943 . . . . 0.0 112.17 -169.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -57.93 131.27 51.97 Favored Glycine 0 CA--C 1.523 0.591 0 C-N-CA 124.938 1.256 . . . . 0.0 110.551 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1602 ' ' LEU . . . . . 0.503 HD22 HD23 ' A' 1534 ' ' LEU . 0.5 OUTLIER -66.05 -48.8 69.87 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 173.68 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.258 0 CA-C-N 113.737 -1.574 . . . . 0.0 110.264 -169.397 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 363' ' ' ARG . . . . . . . . . . . . . 9.5 ptt-85 . . . . . 0 N--CA 1.495 1.814 0 CA-C-O 120.363 0.125 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -69.24 128.58 37.12 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 169.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 365' ' ' HIS . . . . . . . . . . . . . 19.3 t60 58.18 167.95 0.05 OUTLIER 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 128.031 2.533 . . . . 0.0 115.842 172.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 366' ' ' SER . . . . . . . . . . . . . 68.3 m -73.62 -172.08 1.16 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.385 1.474 . . . . 0.0 110.596 169.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 19.0 m -63.8 -24.26 67.68 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 120.678 -1.264 . . . . 0.0 112.665 171.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 368' ' ' HIS . . . . . 0.48 ' CD2' HD13 ' A' 1547 ' ' LEU . 10.1 t60 58.59 -72.62 0.02 OUTLIER 'General case' 0 C--O 1.226 -0.149 0 C-N-CA 127.47 2.308 . . . . 0.0 112.026 -169.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 369' ' ' LEU . . . . . 0.684 HD22 HD11 ' A' 1547 ' ' LEU . 49.0 tp -165.3 -69.15 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 119.222 0.919 . . . . 0.0 110.804 -170.452 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 370' ' ' MLY . . . . . 0.495 HH12 ' CE3' ' A' 1495 ' ' TRP . . . . . . . . 0 N--CA 1.47 0.572 0 C-N-CA 128.919 2.888 . . . . 0.0 115.441 -173.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 371' ' ' SER . . . . . . . . . . . . . 74.2 m 53.92 13.56 0.56 Allowed 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 128.839 2.856 . . . . 0.0 114.749 175.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 372' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -65.79 -28.79 69.28 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 121.669 -0.644 . . . . 0.0 112.295 -177.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 373' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -138.45 23.02 2.73 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.334 1.054 . . . . 0.0 111.912 178.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 374' ' ' GLY . . . . . . . . . . . . . . . 60.59 -152.2 38.92 Favored Glycine 0 CA--C 1.534 1.224 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -172.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -145.2 150.29 36.45 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 125.435 1.494 . . . . 0.0 107.054 173.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 14.4 m -60.99 152.31 28.18 Favored 'General case' 0 C--O 1.241 0.655 0 C-N-CA 124.321 1.048 . . . . 0.0 111.65 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 4.7 m . . . . . 0 C--O 1.253 1.249 0 C-N-CA 124.529 1.131 . . . . 0.0 109.376 172.344 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.514 0 N-CA-C 111.396 -0.682 . . . . 0.0 111.396 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -78.47 -19.84 52.23 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 -176.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 90.7 mmm -62.86 145.46 55.02 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 118.347 0.521 . . . . 0.0 110.214 178.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -152.94 158.86 42.72 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 126.125 1.77 . . . . 0.0 107.618 178.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 16.9 m -55.53 100.78 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.654 1.182 . . . . 0.0 110.766 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 93.8 m-85 66.17 -62.53 0.26 Allowed 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 127.9 2.48 . . . . 0.0 113.663 176.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 3.7 t -56.67 116.0 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 C-N-CA 125.473 1.509 . . . . 0.0 109.026 -175.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 113.09 -22.76 15.29 Favored Glycine 0 CA--C 1.532 1.119 0 C-N-CA 125.398 1.475 . . . . 0.0 113.332 179.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 9.0 mp -74.74 138.5 42.76 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 118.697 1.249 . . . . 0.0 110.938 -172.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 9.9 mtm180 -78.1 127.17 31.9 Favored 'General case' 0 N--CA 1.462 0.157 0 N-CA-C 105.668 -1.975 . . . . 0.0 105.668 168.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 18.7 m -142.91 -174.72 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 C-N-CA 125.417 1.487 . . . . 0.0 107.535 -176.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 3.4 t -120.38 144.87 27.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 104.672 -2.344 . . . . 0.0 104.672 169.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -145.43 151.23 37.9 Favored 'General case' 0 CA--C 1.516 -0.333 0 C-N-CA 124.498 1.119 . . . . 0.0 109.028 -169.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 73.0 tttt -83.08 128.27 34.33 Favored 'General case' 0 CA--C 1.511 -0.557 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 -178.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1495 ' ' TRP . . . . . 0.411 ' CE3' HH12 ' B' ' 370' ' ' MLY . 24.3 t-105 -71.2 133.39 46.1 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 169.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 1.3 m -61.67 -19.33 62.2 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 118.1 2.63 . . . . 0.0 118.1 -168.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 9.3 m -76.91 46.58 0.47 Allowed 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 121.365 1.893 . . . . 0.0 111.454 176.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 62.9 t30 44.47 44.64 7.17 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.427 1.891 . . . . 0.0 111.55 -169.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -94.32 -172.45 38.41 Favored Glycine 0 C--N 1.339 0.724 0 CA-C-O 121.988 0.771 . . . . 0.0 113.255 -170.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1500 ' ' TYR . . . . . 0.413 ' CG ' ' HA ' ' A' 1589 ' ' SER . 12.8 m-30 -72.61 168.86 17.76 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 125.635 1.574 . . . . 0.0 110.776 174.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -86.6 109.89 19.45 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 173.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -101.05 150.23 23.12 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 124.792 1.237 . . . . 0.0 108.145 179.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 11.2 m -72.92 144.29 47.38 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.381 0.672 . . . . 0.0 109.757 178.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -169.39 -178.09 40.42 Favored Glycine 0 C--N 1.335 0.499 0 O-C-N 121.932 -0.48 . . . . 0.0 111.973 -176.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 38.6 mtmt -127.17 129.45 47.89 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 106.384 -1.71 . . . . 0.0 106.384 -172.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 20.1 mt -73.13 129.4 36.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 59.9 p -104.79 -36.24 7.47 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 123.017 0.527 . . . . 0.0 110.516 -171.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -168.08 141.91 3.34 Favored 'General case' 0 C--N 1.344 0.354 0 C-N-CA 124.113 0.965 . . . . 0.0 111.293 176.065 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 7.6 t70 -69.38 103.63 2.05 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 168.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.5 t -64.95 -50.84 73.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 C-N-CA 123.446 0.698 . . . . 0.0 109.454 -176.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 148.66 163.2 10.71 Favored Glycine 0 C--N 1.341 0.845 0 N-CA-C 109.741 -1.343 . . . . 0.0 109.741 178.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.13 11.06 0.69 Allowed 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 115.229 1.566 . . . . 0.0 115.229 177.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 104.26 -6.21 46.11 Favored Glycine 0 CA--C 1.525 0.691 0 C-N-CA 124.892 1.234 . . . . 0.0 111.585 -176.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 10.9 mtpp -74.94 136.27 41.38 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 120.156 1.978 . . . . 0.0 107.27 170.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -126.06 138.04 53.68 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 105.309 -2.108 . . . . 0.0 105.309 169.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -84.54 137.65 33.2 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 176.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.2 mm? -124.91 118.47 26.37 Favored 'General case' 0 CA--C 1.513 -0.452 0 C-N-CA 124.918 1.287 . . . . 0.0 108.292 -169.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 41.7 tp -84.03 94.47 8.31 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 105.252 -2.129 . . . . 0.0 105.252 169.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -57.69 148.98 22.94 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 172.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -65.19 -21.71 66.8 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -170.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 30.5 p-10 -79.07 -2.02 38.53 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.242 1.417 . . . . 0.0 113.219 173.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 107.01 -3.49 35.58 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 125.402 1.477 . . . . 0.0 113.799 169.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -79.44 154.56 28.85 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 118.3 1.05 . . . . 0.0 109.53 -175.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -140.68 117.52 11.05 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 -176.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 75.9 m -142.73 163.94 31.46 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 125.347 1.459 . . . . 0.0 107.79 173.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -87.25 143.2 27.39 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 173.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 78.2 t -142.05 137.08 30.27 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.264 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 -177.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.5 mt -73.98 151.11 40.39 Favored 'General case' 0 C--O 1.219 -0.55 0 C-N-CA 123.097 0.559 . . . . 0.0 111.943 178.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -58.14 -36.67 83.21 Favored Glycine 0 C--N 1.336 0.553 0 C-N-CA 124.028 0.823 . . . . 0.0 112.759 -176.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.12 -20.8 60.06 Favored 'General case' 0 C--O 1.222 -0.352 0 O-C-N 121.495 -1.003 . . . . 0.0 112.374 175.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -103.47 20.21 18.29 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.433 1.493 . . . . 0.0 112.225 -175.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -131.35 136.91 56.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 N-CA-C 106.748 -1.575 . . . . 0.0 106.748 -177.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 63.3 mt -118.09 110.29 17.46 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 128.119 2.568 . . . . 0.0 104.389 -173.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1534 ' ' LEU . . . . . 0.559 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -107.59 -5.74 17.35 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 116.322 1.971 . . . . 0.0 116.322 -169.217 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 21.6 p -129.36 52.34 1.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 105.546 -2.02 . . . . 0.0 105.546 -177.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 56.2 t0 -118.47 61.28 4.5 Favored Pre-proline 0 C--O 1.238 0.482 0 N-CA-C 115.903 1.816 . . . . 0.0 115.903 -168.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -73.27 123.99 9.15 Favored 'Trans proline' 0 CA--C 1.546 1.113 1 N-CA-C 99.959 -4.67 . . . . 0.0 99.959 165.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1538 ' ' ILE . . . . . 0.548 HG21 HG11 ' A' 1544 ' ' VAL . 5.4 mm -59.84 120.55 50.94 Favored Pre-proline 0 CA--C 1.543 0.69 0 CA-C-N 119.514 1.052 . . . . 0.0 109.491 -168.023 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -63.31 143.64 89.57 Favored 'Trans proline' 0 N--CA 1.456 -0.684 0 C-N-CA 121.794 1.663 . . . . 0.0 110.442 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 2.9 mp -57.14 146.46 27.77 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 169.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 5.7 t70 74.54 -3.29 2.6 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 126.905 2.082 . . . . 0.0 113.731 -177.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 21.8 m -69.43 136.13 51.18 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 169.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -82.55 135.94 34.97 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 171.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1544 ' ' VAL . . . . . 0.548 HG11 HG21 ' A' 1538 ' ' ILE . 2.6 m -146.74 162.94 8.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 124.092 0.957 . . . . 0.0 109.507 -172.353 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 7.0 m -89.49 134.97 33.86 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 105.87 -1.9 . . . . 0.0 105.87 169.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -105.0 140.46 38.15 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 107.096 -1.446 . . . . 0.0 107.096 173.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1547 ' ' LEU . . . . . 0.443 HD21 HD22 ' B' ' 369' ' ' LEU . 0.1 OUTLIER -137.55 102.43 4.76 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 124.231 1.013 . . . . 0.0 108.958 -169.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 14.7 m -59.97 132.78 55.0 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 105.853 -1.906 . . . . 0.0 105.853 169.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -43.08 -38.13 2.24 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.054 1.742 . . . . 0.0 115.011 -168.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 31.9 t70 -70.97 -52.03 22.14 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.473 0.579 . . . . 0.0 112.324 -177.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -177.33 -19.79 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 115.273 1.583 . . . . 0.0 115.273 175.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -58.35 121.76 11.62 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 119.529 1.058 . . . . 0.0 111.076 -169.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 2.5 t80 -112.15 133.53 54.24 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 125.06 1.344 . . . . 0.0 110.838 -169.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 4.9 p -151.77 177.46 10.38 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.506 1.522 . . . . 0.0 109.913 172.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -135.59 156.02 49.54 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 119.443 1.02 . . . . 0.0 110.363 169.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.76 -160.46 19.3 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 126.418 1.961 . . . . 0.0 108.402 -172.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.1 t -130.32 143.25 41.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 CA-C-N 118.777 1.289 . . . . 0.0 110.175 -173.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 62.5 t -65.5 126.59 24.93 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 172.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -131.49 13.27 5.0 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 119.348 0.976 . . . . 0.0 111.868 171.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -174.48 170.86 44.04 Favored Glycine 0 C--N 1.339 0.726 0 O-C-N 121.186 -0.947 . . . . 0.0 111.527 172.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 11.0 m80 -133.59 155.03 50.39 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 126.134 1.774 . . . . 0.0 109.333 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 37.1 ttt85 -147.91 159.48 43.82 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 170.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.8 mmtp -128.7 128.83 44.86 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 105.669 -1.974 . . . . 0.0 105.669 169.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -146.58 131.32 17.95 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 107.135 -1.431 . . . . 0.0 107.135 -177.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 23.6 m 49.3 33.56 5.41 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.748 1.219 . . . . 0.0 113.484 178.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 68.9 34.15 76.5 Favored Glycine 0 CA--C 1.533 1.177 0 CA-C-O 119.69 -0.506 . . . . 0.0 112.572 -179.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -135.53 151.67 50.56 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 176.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 42.7 tp -101.92 131.47 48.28 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 125.929 1.692 . . . . 0.0 109.929 -169.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -127.74 156.25 42.72 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 125.548 1.539 . . . . 0.0 109.588 -172.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1570 ' ' TYR . . . . . 0.424 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 71.8 m-85 -138.34 130.5 28.63 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 106.417 -1.697 . . . . 0.0 106.417 -175.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.46 101.67 12.82 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 102.82 -3.03 . . . . 0.0 102.82 168.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 32.4 mm -78.94 124.52 37.42 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 N-CA-C 105.107 -2.183 . . . . 0.0 105.107 172.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -82.78 123.22 29.12 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 104.59 -2.374 . . . . 0.0 104.59 169.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -144.81 138.77 27.32 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 105.046 -2.205 . . . . 0.0 105.046 -176.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 51.59 31.93 8.38 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 119.027 0.831 . . . . 0.0 111.901 -172.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 73.04 16.39 78.46 Favored Glycine 0 CA--C 1.533 1.188 0 CA-C-O 118.448 -1.196 . . . . 0.0 114.099 176.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -141.57 154.59 45.54 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 119.069 1.435 . . . . 0.0 110.01 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 42.6 mtm105 -79.64 144.13 34.06 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 -176.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -140.28 129.23 23.38 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 105.346 -2.094 . . . . 0.0 105.346 172.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 83.8 m95 -79.59 130.29 35.24 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 179.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -131.96 166.8 20.85 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.48 1.512 . . . . 0.0 107.394 169.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 59.6 pttt -115.84 167.52 10.87 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.319 1.048 . . . . 0.0 110.292 -176.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 45.7 ttt180 -51.44 -41.63 60.98 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 -169.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 2.3 ppp? -75.38 -17.28 60.25 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-N 121.705 2.048 . . . . 0.0 113.17 178.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -90.94 -5.75 55.02 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 125.569 1.548 . . . . 0.0 110.941 173.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 61.2 t -120.2 92.78 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 N-CA-C 106.179 -1.785 . . . . 0.0 106.179 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 9.9 pt -112.6 163.19 9.96 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 -172.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 2.9 mt -109.86 115.04 29.1 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 -175.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1589 ' ' SER . . . . . 0.413 ' HA ' ' CG ' ' A' 1500 ' ' TYR . 0.1 OUTLIER -53.26 148.59 8.34 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 169.831 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.3 pp -56.27 -35.58 67.63 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 -168.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -67.02 -37.25 83.8 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 121.46 -0.775 . . . . 0.0 110.383 178.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -66.57 -51.53 55.44 Favored 'General case' 0 C--O 1.225 -0.224 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 178.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -66.64 -25.91 72.89 Favored Glycine 0 C--N 1.339 0.727 0 CA-C-O 119.238 -0.756 . . . . 0.0 111.759 -173.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -56.86 -43.96 81.71 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 118.852 1.326 . . . . 0.0 111.838 172.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 3.6 mtt-85 -62.54 -17.23 59.45 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 179.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.6 mp -97.23 -28.64 13.98 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 124.502 1.121 . . . . 0.0 110.42 175.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 64.2 ttp85 -57.27 -38.98 74.73 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 119.327 0.967 . . . . 0.0 111.5 -176.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -58.06 -22.37 49.86 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 118.197 -0.906 . . . . 0.0 113.394 178.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -114.28 -47.08 2.95 Favored 'General case' 0 C--N 1.348 0.527 0 CA-C-N 119.837 1.199 . . . . 0.0 111.864 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 9.7 m-30 -93.0 -9.71 38.89 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 124.403 1.081 . . . . 0.0 112.273 -170.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -52.39 129.37 36.72 Favored Glycine 0 CA--C 1.524 0.652 0 C-N-CA 125.744 1.64 . . . . 0.0 110.523 176.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1602 ' ' LEU . . . . . 0.559 HD22 HD23 ' A' 1534 ' ' LEU . 0.8 OUTLIER -65.47 -44.94 85.6 Favored 'General case' 0 C--N 1.343 0.302 0 CA-C-N 118.484 1.142 . . . . 0.0 109.176 173.039 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.386 0 N-CA-C 109.253 -1.539 . . . . 0.0 109.253 -175.714 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 363' ' ' ARG . . . . . . . . . . . . . 25.6 tpp180 . . . . . 0 N--CA 1.494 1.765 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -66.57 -46.37 76.21 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 118.125 0.421 . . . . 0.0 110.959 -177.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 365' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -158.02 170.67 21.79 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 125.117 1.367 . . . . 0.0 108.658 174.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 366' ' ' SER . . . . . . . . . . . . . 39.9 m -61.75 171.52 1.57 Allowed 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.01 0.924 . . . . 0.0 110.247 168.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 5.7 m -58.76 -20.57 50.74 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -175.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 368' ' ' HIS . . . . . . . . . . . . . 20.7 t60 56.71 -78.62 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 127.443 2.297 . . . . 0.0 110.787 -169.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 369' ' ' LEU . . . . . 0.443 HD22 HD21 ' A' 1547 ' ' LEU . 25.9 tp -156.59 -74.06 0.1 Allowed 'General case' 0 N--CA 1.457 -0.08 0 CA-C-N 119.785 1.175 . . . . 0.0 110.247 -169.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 370' ' ' MLY . . . . . 0.411 HH12 ' CE3' ' A' 1495 ' ' TRP . . . . . . . . 0 C--N 1.344 0.364 0 C-N-CA 125.299 1.44 . . . . 0.0 110.147 -169.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 371' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.37 -24.32 1.87 Allowed 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 128.71 2.804 . . . . 0.0 116.054 -169.52 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 372' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -129.99 22.26 5.34 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.681 0.792 . . . . 0.0 112.752 177.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 373' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -130.35 -32.22 1.78 Allowed 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.012 0.925 . . . . 0.0 112.387 176.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 374' ' ' GLY . . . . . . . . . . . . . . . -149.67 16.89 1.1 Allowed Glycine 0 CA--C 1.533 1.209 0 CA-C-N 119.538 1.063 . . . . 0.0 114.563 -177.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -64.92 -31.67 73.02 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.148 1.474 . . . . 0.0 110.801 173.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 18.9 m -145.4 165.78 27.51 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 125.761 1.624 . . . . 0.0 108.982 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 5.2 m . . . . . 0 C--O 1.254 1.322 0 C-N-CA 124.296 1.038 . . . . 0.0 109.624 174.321 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.706 0 N-CA-C 111.51 -0.636 . . . . 0.0 111.51 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -65.77 -32.02 73.33 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 121.891 -0.77 . . . . 0.0 111.699 179.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 21.5 mmt -135.11 170.92 15.17 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 125.629 1.572 . . . . 0.0 109.144 178.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 47.8 t30 -145.2 162.95 35.88 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 125.89 1.676 . . . . 0.0 108.171 179.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 14.5 m -65.55 85.12 0.07 Allowed 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.939 1.296 . . . . 0.0 110.451 176.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 95.8 m-85 69.48 -60.97 0.45 Allowed 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 128.537 2.735 . . . . 0.0 113.964 172.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 16.4 t -59.02 115.0 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 C-N-CA 124.93 1.292 . . . . 0.0 108.748 -175.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 116.1 -23.08 10.91 Favored Glycine 0 CA--C 1.532 1.114 0 C-N-CA 125.33 1.443 . . . . 0.0 112.749 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 10.3 mp -74.79 139.91 43.64 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 118.777 1.288 . . . . 0.0 110.954 -172.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 55.8 mtm180 -79.08 127.78 32.44 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 105.467 -2.049 . . . . 0.0 105.467 168.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 17.0 m -146.49 -172.77 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 C-N-CA 124.752 1.221 . . . . 0.0 107.74 -173.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.1 t -121.08 147.44 24.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 105.782 -1.932 . . . . 0.0 105.782 170.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -146.63 150.37 35.32 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 124.057 0.943 . . . . 0.0 108.594 -170.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 70.3 tttt -83.06 134.03 35.05 Favored 'General case' 0 CA--C 1.512 -0.506 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 177.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1495 ' ' TRP . . . . . 0.489 ' CE3' HH12 ' B' ' 370' ' ' MLY . 28.3 t-105 -79.78 138.3 37.23 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 169.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 1.4 m -63.41 -20.0 65.17 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 118.201 2.667 . . . . 0.0 118.201 -168.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 14.6 m -76.27 45.56 0.38 Allowed 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 121.168 1.804 . . . . 0.0 111.579 177.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 64.7 t30 45.97 43.58 10.58 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.18 1.792 . . . . 0.0 110.284 -169.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -87.79 -177.16 48.05 Favored Glycine 0 C--N 1.334 0.471 0 CA-C-O 122.402 1.001 . . . . 0.0 113.808 -169.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1500 ' ' TYR . . . . . 0.415 ' CG ' ' HA ' ' A' 1589 ' ' SER . 12.4 m-30 -73.66 168.09 20.05 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 125.509 1.524 . . . . 0.0 110.356 173.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -85.45 107.75 17.56 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 106.686 -1.598 . . . . 0.0 106.686 173.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -99.3 153.79 18.69 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 178.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 6.1 m -67.97 147.32 52.6 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.427 -0.796 . . . . 0.0 110.705 175.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -165.28 -177.64 37.85 Favored Glycine 0 C--N 1.334 0.432 0 CA-C-O 121.728 0.627 . . . . 0.0 111.659 176.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 40.8 mtmt -132.19 126.91 34.69 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 106.105 -1.813 . . . . 0.0 106.105 -173.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 14.2 mt -72.38 133.49 31.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 -177.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 34.5 p -109.75 -30.35 7.9 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 123.354 0.662 . . . . 0.0 109.392 -172.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 13.6 ttt-85 -168.15 149.7 5.2 Favored 'General case' 0 C--N 1.342 0.279 0 C-N-CA 123.01 0.524 . . . . 0.0 112.144 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 7.5 t70 -79.34 110.59 14.77 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 103.553 -2.758 . . . . 0.0 103.553 167.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.6 t -71.38 -50.45 40.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 147.27 163.92 10.86 Favored Glycine 0 C--N 1.34 0.778 0 N-CA-C 109.755 -1.338 . . . . 0.0 109.755 179.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 59.46 7.12 0.91 Allowed 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 115.261 1.578 . . . . 0.0 115.261 177.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 105.33 -6.98 42.88 Favored Glycine 0 CA--C 1.527 0.837 0 C-N-CA 124.502 1.049 . . . . 0.0 111.181 -173.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -75.0 138.47 42.24 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 120.199 1.999 . . . . 0.0 107.975 169.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -127.76 137.04 52.3 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 105.34 -2.096 . . . . 0.0 105.34 169.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -83.52 137.39 33.89 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 177.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.0 mm? -124.62 119.39 28.9 Favored 'General case' 0 CA--C 1.513 -0.479 0 C-N-CA 125.107 1.363 . . . . 0.0 108.693 -169.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 37.4 tp -83.72 95.46 8.41 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 104.1 -2.556 . . . . 0.0 104.1 169.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -58.68 148.86 27.74 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 172.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -68.33 -19.65 64.68 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 112.076 0.398 . . . . 0.0 112.076 -170.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 39.0 p-10 -77.37 -1.96 32.7 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.679 1.192 . . . . 0.0 113.025 171.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 105.47 -3.81 40.06 Favored Glycine 0 CA--C 1.531 1.047 0 C-N-CA 125.629 1.585 . . . . 0.0 113.586 169.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -78.18 158.17 29.12 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.196 0.998 . . . . 0.0 109.53 -176.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -142.4 121.48 12.92 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 -176.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 61.7 m -147.86 166.51 27.38 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 125.578 1.551 . . . . 0.0 107.653 172.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -79.89 144.6 33.26 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 170.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 92.8 t -140.58 139.34 35.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 107.262 -1.385 . . . . 0.0 107.262 174.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.2 mt -76.08 150.46 37.28 Favored 'General case' 0 CA--C 1.511 -0.521 0 C-N-CA 123.036 0.534 . . . . 0.0 111.997 178.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -57.84 -35.13 73.67 Favored Glycine 0 CA--C 1.522 0.473 0 C-N-CA 123.783 0.706 . . . . 0.0 113.42 -177.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.19 -11.21 28.65 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 121.531 -0.982 . . . . 0.0 113.061 174.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -115.36 20.83 14.56 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.156 1.782 . . . . 0.0 111.79 -177.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 1.1 mt -130.81 132.43 64.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 N-CA-C 106.256 -1.757 . . . . 0.0 106.256 178.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 8.3 mp -117.33 120.25 37.62 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 104.132 -2.544 . . . . 0.0 104.132 -175.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1534 ' ' LEU . . . . . 0.477 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -113.99 -1.37 13.81 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 116.905 2.187 . . . . 0.0 116.905 -168.627 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 24.3 p -132.7 50.42 2.24 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 106.483 -1.673 . . . . 0.0 106.483 -177.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 55.0 t0 -118.35 61.69 4.51 Favored Pre-proline 0 CA--C 1.54 0.574 0 N-CA-C 116.905 2.187 . . . . 0.0 116.905 -168.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -72.39 123.32 9.04 Favored 'Trans proline' 0 CA--C 1.545 1.046 1 N-CA-C 100.848 -4.328 . . . . 0.0 100.848 166.106 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1538 ' ' ILE . . . . . 0.4 ' HB ' ' CE2' ' A' 1570 ' ' TYR . 8.6 mm -60.61 123.65 75.16 Favored Pre-proline 0 CA--C 1.54 0.566 0 CA-C-N 119.839 1.2 . . . . 0.0 109.052 -168.45 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -63.0 145.3 94.23 Favored 'Trans proline' 0 N--CA 1.454 -0.848 0 C-N-CA 121.92 1.747 . . . . 0.0 110.495 176.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 3.7 mp -58.86 150.73 23.31 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 170.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 22.5 t70 72.68 -5.74 1.79 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 126.3 1.84 . . . . 0.0 113.495 -176.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 23.1 m -68.08 136.46 53.81 Favored 'General case' 0 C--O 1.238 0.485 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 169.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -84.23 136.14 34.06 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 107.377 -1.342 . . . . 0.0 107.377 172.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -146.07 162.54 10.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 C-N-CA 124.847 1.259 . . . . 0.0 108.881 -170.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 5.2 m -88.73 136.17 33.14 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 105.226 -2.139 . . . . 0.0 105.226 169.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -110.78 138.61 46.95 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 175.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1547 ' ' LEU . . . . . 0.426 HD11 HD22 ' B' ' 369' ' ' LEU . 0.2 OUTLIER -139.05 109.92 6.74 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 122.955 0.502 . . . . 0.0 111.025 -169.427 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 9.3 m -65.7 121.86 15.95 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 102.634 -3.099 . . . . 0.0 102.634 167.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 51.4 mp0 -47.47 -28.59 2.25 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 126.776 2.03 . . . . 0.0 115.683 -168.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 38.3 t70 -64.09 -46.33 84.74 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.713 0.688 . . . . 0.0 111.698 178.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 174.52 -21.6 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 126.045 1.738 . . . . 0.0 114.238 173.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -59.41 124.5 20.25 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 119.625 1.102 . . . . 0.0 109.631 -169.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 1.3 t80 -120.69 133.27 55.36 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 124.877 1.271 . . . . 0.0 110.413 -169.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 3.7 p -152.18 178.88 9.02 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.581 1.552 . . . . 0.0 109.43 170.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -132.32 157.34 44.71 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 119.809 1.186 . . . . 0.0 111.017 171.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.76 -163.44 24.8 Favored Glycine 0 CA--C 1.526 0.731 0 C-N-CA 126.358 1.932 . . . . 0.0 109.023 -170.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.9 t -130.19 142.78 42.9 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.335 0 CA-C-N 118.803 1.301 . . . . 0.0 109.666 -173.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 70.9 t -65.08 125.16 21.46 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 172.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -129.71 18.57 5.69 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.829 0.852 . . . . 0.0 111.219 173.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 174.68 178.56 44.65 Favored Glycine 0 CA--C 1.522 0.497 0 O-C-N 121.609 -0.682 . . . . 0.0 111.45 171.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 16.3 m80 -142.01 153.99 44.66 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 126.006 1.723 . . . . 0.0 110.899 -171.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -148.33 157.52 43.54 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 125.43 1.492 . . . . 0.0 107.1 171.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -134.15 124.61 26.36 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 106.19 -1.781 . . . . 0.0 106.19 173.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -150.69 138.02 19.49 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 -173.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 20.1 m 50.66 31.43 5.79 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.342 1.057 . . . . 0.0 113.616 178.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 69.02 29.76 72.31 Favored Glycine 0 CA--C 1.529 0.928 0 C-N-CA 123.509 0.576 . . . . 0.0 112.743 -179.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -138.02 148.65 45.33 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 -177.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 38.2 tp -98.77 134.43 41.67 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 124.417 1.087 . . . . 0.0 109.919 -169.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1569 ' ' TYR . . . . . 0.414 ' CE2' ' HB3' ' A' 1582 ' ' LYS . 32.4 m-85 -126.08 157.76 37.15 Favored 'General case' 0 CA--C 1.515 -0.389 0 C-N-CA 125.804 1.642 . . . . 0.0 109.384 -174.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1570 ' ' TYR . . . . . 0.4 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 58.6 m-85 -142.02 129.84 21.73 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 106.872 -1.529 . . . . 0.0 106.872 -173.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.97 97.62 11.06 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 104.877 -2.268 . . . . 0.0 104.877 169.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 39.8 mm -80.76 129.98 36.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 106.401 -1.703 . . . . 0.0 106.401 178.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -84.63 118.21 24.23 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 103.538 -2.764 . . . . 0.0 103.538 168.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -144.17 133.51 23.19 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 105.11 -2.182 . . . . 0.0 105.11 -169.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 52.26 34.29 14.36 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.808 0.843 . . . . 0.0 111.722 -169.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 71.32 18.62 76.94 Favored Glycine 0 CA--C 1.533 1.162 0 CA-C-O 119.029 -0.873 . . . . 0.0 113.898 175.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -144.36 155.12 43.65 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 118.575 1.188 . . . . 0.0 109.672 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 71.4 mtp85 -82.06 141.06 33.5 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 121.437 -0.789 . . . . 0.0 109.392 -174.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -146.17 130.03 17.21 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 106.359 -1.719 . . . . 0.0 106.359 -177.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 90.3 m95 -81.08 131.63 35.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 118.906 0.775 . . . . 0.0 110.053 176.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -134.34 164.6 27.04 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.557 1.543 . . . . 0.0 107.029 169.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1582 ' ' LYS . . . . . 0.414 ' HB3' ' CE2' ' A' 1569 ' ' TYR . 60.8 pttt -112.56 167.94 10.05 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 121.191 -0.943 . . . . 0.0 110.995 -178.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 67.0 ttp85 -41.36 -56.81 2.35 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.674 1.19 . . . . 0.0 114.056 -176.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 1.5 ppp? -71.57 -16.96 62.32 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 120.662 1.574 . . . . 0.0 113.83 -178.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -87.91 -6.47 58.04 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.614 1.165 . . . . 0.0 111.622 172.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 72.1 t -120.54 90.53 1.62 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 N-CA-C 105.972 -1.862 . . . . 0.0 105.972 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 13.9 pt -109.8 163.27 6.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -172.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 8.2 mt -106.29 114.01 27.88 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 106.892 -1.521 . . . . 0.0 106.892 -177.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1589 ' ' SER . . . . . 0.415 ' HA ' ' CG ' ' A' 1500 ' ' TYR . 0.4 OUTLIER -53.28 146.95 11.01 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 106.765 -1.568 . . . . 0.0 106.765 169.657 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.3 pp -53.92 -37.69 64.09 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 -168.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -71.16 -35.11 71.52 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.488 -0.757 . . . . 0.0 109.82 -177.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -63.98 -51.77 62.78 Favored 'General case' 0 C--N 1.342 0.257 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 174.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -67.16 -28.07 73.64 Favored Glycine 0 C--N 1.339 0.748 0 CA-C-O 119.195 -0.781 . . . . 0.0 111.648 -171.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -56.68 -43.41 80.44 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 118.577 1.188 . . . . 0.0 111.404 175.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 9.0 mtt-85 -60.96 -19.31 60.83 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 7.3 mp -99.84 -26.69 13.94 Favored 'General case' 0 CA--C 1.527 0.086 0 C-N-CA 124.183 0.993 . . . . 0.0 110.463 177.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -61.76 -36.0 79.76 Favored 'General case' 0 C--O 1.224 -0.259 0 O-C-N 121.253 -0.904 . . . . 0.0 110.407 -175.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -59.33 -20.93 58.57 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 118.227 -0.892 . . . . 0.0 113.283 177.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -113.62 -46.9 3.02 Favored 'General case' 0 C--N 1.347 0.477 0 CA-C-N 119.787 1.176 . . . . 0.0 111.499 179.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 12.6 m-30 -90.59 -17.45 26.92 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.086 0.954 . . . . 0.0 112.386 -169.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -44.38 129.61 7.18 Favored Glycine 0 CA--C 1.53 0.989 0 C-N-CA 126.368 1.937 . . . . 0.0 111.728 170.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1602 ' ' LEU . . . . . 0.477 HD22 HD23 ' A' 1534 ' ' LEU . 0.6 OUTLIER -65.42 -45.31 84.39 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 118.091 0.946 . . . . 0.0 109.239 174.291 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.173 0 O-C-N 125.375 1.672 . . . . 0.0 110.834 -168.884 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 363' ' ' ARG . . . . . . . . . . . . . 17.9 ptt-85 . . . . . 0 N--CA 1.494 1.769 0 N-CA-C 111.733 0.272 . . . . 0.0 111.733 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -68.27 150.37 48.33 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 169.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 365' ' ' HIS . . . . . 0.614 ' CD2' ' H ' ' B' ' 366' ' ' SER . 24.8 t60 46.14 -147.12 0.15 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.319 1.448 . . . . 0.0 111.627 -177.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 366' ' ' SER . . . . . 0.614 ' H ' ' CD2' ' B' ' 365' ' ' HIS . 31.4 m -143.99 -175.9 4.78 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 127.445 2.298 . . . . 0.0 107.566 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 14.0 m -64.02 -22.17 66.81 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 -172.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 368' ' ' HIS . . . . . . . . . . . . . 6.6 t60 44.9 -114.99 0.45 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.025 1.73 . . . . 0.0 110.987 177.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 369' ' ' LEU . . . . . 0.426 HD22 HD11 ' A' 1547 ' ' LEU . 6.2 tp -156.86 145.57 19.92 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 127.932 2.493 . . . . 0.0 104.725 -174.384 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 370' ' ' MLY . . . . . 0.489 HH12 ' CE3' ' A' 1495 ' ' TRP . . . . . . . . 0 CA--C 1.534 0.35 0 CA-C-N 118.996 0.816 . . . . 0.0 112.236 178.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 371' ' ' SER . . . . . . . . . . . . . 4.0 p 47.07 23.43 0.29 Allowed 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 128.938 2.895 . . . . 0.0 115.271 174.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 372' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -67.42 162.45 23.04 Favored 'General case' 0 C--O 1.236 0.39 0 O-C-N 121.596 -0.69 . . . . 0.0 109.889 175.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 373' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -56.42 138.19 51.68 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 170.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 374' ' ' GLY . . . . . . . . . . . . . . . 115.48 -21.91 12.43 Favored Glycine 0 CA--C 1.529 0.928 0 C-N-CA 124.245 0.926 . . . . 0.0 111.723 -176.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.85 -50.44 70.93 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 118.579 1.19 . . . . 0.0 109.184 172.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 10.0 m -64.75 151.72 44.44 Favored 'General case' 0 C--O 1.24 0.597 0 C-N-CA 123.475 0.71 . . . . 0.0 111.371 -178.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 5.0 m . . . . . 0 C--O 1.254 1.305 0 C-N-CA 124.541 1.136 . . . . 0.0 109.4 172.4 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.696 0 N-CA-C 111.632 -0.587 . . . . 0.0 111.632 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -151.52 155.89 39.43 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 124.863 1.265 . . . . 0.0 108.591 179.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 73.6 mtm -145.71 152.66 39.95 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 125.513 1.525 . . . . 0.0 108.399 175.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 60.7 t30 -66.66 154.18 41.24 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 174.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 17.2 m -65.78 94.5 0.21 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.619 1.167 . . . . 0.0 110.217 175.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 96.3 m-85 66.12 -59.91 0.31 Allowed 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 128.527 2.731 . . . . 0.0 114.609 172.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 21.9 t -60.8 113.83 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 C-N-CA 124.824 1.249 . . . . 0.0 108.631 -173.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 116.94 -22.56 10.5 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 125.198 1.38 . . . . 0.0 111.965 179.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 10.7 mp -73.34 135.97 44.39 Favored 'General case' 0 C--N 1.341 0.218 0 CA-C-N 118.868 1.334 . . . . 0.0 110.254 -173.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 54.8 mtm180 -74.32 128.29 35.16 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 105.765 -1.939 . . . . 0.0 105.765 168.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 21.3 m -147.64 -175.07 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 125.028 1.331 . . . . 0.0 107.521 -175.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 5.4 t -120.78 148.37 24.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 104.897 -2.261 . . . . 0.0 104.897 169.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -143.95 152.85 41.62 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 -172.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 75.8 tttt -82.87 138.69 33.81 Favored 'General case' 0 CA--C 1.51 -0.583 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 177.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1495 ' ' TRP . . . . . 0.49 ' CE3' HH12 ' B' ' 370' ' ' MLY . 31.6 t-105 -83.0 82.27 8.31 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 105.533 -2.025 . . . . 0.0 105.533 169.23 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 14.6 m -56.98 -24.84 56.23 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 -169.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 6.1 m -66.22 -14.22 61.58 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.249 1.02 . . . . 0.0 113.273 178.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 42.1 t30 -148.64 -46.14 0.15 Allowed 'General case' 0 C--N 1.347 0.49 0 CA-C-N 120.002 1.274 . . . . 0.0 113.778 172.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . 149.49 174.54 21.0 Favored Glycine 0 C--N 1.34 0.76 0 CA-C-N 118.821 0.737 . . . . 0.0 112.354 -179.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 4.3 m-30 72.93 160.65 0.23 Allowed 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 128.783 2.833 . . . . 0.0 111.585 176.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -112.57 118.05 34.03 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 124.803 1.241 . . . . 0.0 107.737 -174.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -114.95 152.69 31.92 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.513 1.125 . . . . 0.0 107.967 -176.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 4.5 m -69.94 148.84 48.44 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 123.378 0.671 . . . . 0.0 110.622 177.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -169.53 -176.44 39.39 Favored Glycine 0 C--N 1.334 0.457 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 175.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.34 141.96 51.44 Favored 'General case' 0 CA--C 1.514 -0.441 0 N-CA-C 106.904 -1.517 . . . . 0.0 106.904 172.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 6.6 mt -70.14 135.04 29.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 106.601 -1.629 . . . . 0.0 106.601 175.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 47.6 p -110.89 -29.91 7.75 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 -173.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 13.8 ttt-85 -166.32 151.49 8.21 Favored 'General case' 0 CA--C 1.517 -0.316 0 C-N-CA 123.11 0.564 . . . . 0.0 112.081 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 6.4 t70 -81.05 110.37 16.51 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 103.105 -2.924 . . . . 0.0 103.105 167.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.4 t -70.98 -49.98 45.91 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 147.99 163.99 11.06 Favored Glycine 0 C--N 1.338 0.688 0 N-CA-C 109.901 -1.28 . . . . 0.0 109.901 177.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 60.36 4.31 0.67 Allowed 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 115.597 1.703 . . . . 0.0 115.597 176.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 109.25 -8.04 32.84 Favored Glycine 0 CA--C 1.524 0.632 0 C-N-CA 124.733 1.159 . . . . 0.0 111.164 -172.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -75.1 138.54 42.16 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 120.386 2.093 . . . . 0.0 107.957 169.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -127.87 138.02 52.54 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 105.36 -2.089 . . . . 0.0 105.36 169.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -85.02 138.45 32.44 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 177.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.0 mm? -124.95 119.48 28.87 Favored 'General case' 0 CA--C 1.515 -0.38 0 C-N-CA 124.799 1.24 . . . . 0.0 108.85 -169.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 38.1 tp -84.67 97.47 9.66 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 105.366 -2.087 . . . . 0.0 105.366 169.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -62.81 149.12 44.97 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 172.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -67.54 -21.98 65.44 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -172.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 20.6 p-10 -76.33 -0.08 21.29 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.272 1.029 . . . . 0.0 112.966 171.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 105.53 -5.63 40.98 Favored Glycine 0 CA--C 1.528 0.889 0 C-N-CA 125.999 1.762 . . . . 0.0 114.115 168.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -78.37 156.28 29.59 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 117.985 0.892 . . . . 0.0 109.77 -174.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -140.83 121.14 13.94 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 66.2 m -146.19 166.96 24.67 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 125.491 1.517 . . . . 0.0 108.034 171.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -81.84 143.87 31.43 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 172.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 81.6 t -140.89 139.05 34.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 106.792 -1.558 . . . . 0.0 106.792 176.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.8 mt -75.94 151.84 37.2 Favored 'General case' 0 CA--C 1.51 -0.595 0 O-C-N 121.801 -0.562 . . . . 0.0 110.895 178.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -53.81 -35.14 52.27 Favored Glycine 0 CA--C 1.524 0.605 0 C-N-CA 124.524 1.059 . . . . 0.0 113.287 179.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -23.48 62.69 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 122.161 -0.611 . . . . 0.0 111.293 177.032 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -109.87 20.68 17.75 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 125.725 1.61 . . . . 0.0 111.522 -171.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -129.14 137.79 56.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 N-CA-C 106.076 -1.824 . . . . 0.0 106.076 178.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 51.3 mt -121.74 112.56 18.55 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 104.006 -2.591 . . . . 0.0 104.006 -171.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1534 ' ' LEU . . . . . 0.548 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -110.94 -1.56 16.36 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 116.535 2.05 . . . . 0.0 116.535 -168.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . 0.404 ' C ' ' HD2' ' A' 1537 ' ' PRO . 25.1 p -130.98 50.99 2.18 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 106.451 -1.685 . . . . 0.0 106.451 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -89.95 10.12 0.04 OUTLIER Pre-proline 0 CA--C 1.542 0.646 2 C-N-CA 133.018 4.527 . . . . 0.0 121.918 -169.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . 0.404 ' HD2' ' C ' ' A' 1535 ' ' CYS . 38.3 Cg_endo -53.49 114.69 1.87 Allowed 'Trans proline' 0 C--N 1.353 0.803 0 CA-C-N 125.715 3.077 . . . . 0.0 107.095 169.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 9.1 mm -61.26 122.13 67.95 Favored Pre-proline 0 CA--C 1.537 0.446 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 -168.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 17.2 Cg_endo -65.6 142.7 72.14 Favored 'Trans proline' 0 N--CA 1.452 -0.917 0 C-N-CA 121.49 1.46 . . . . 0.0 109.844 176.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1540 ' ' LEU . . . . . 0.529 ' H ' HD12 ' A' 1540 ' ' LEU . 4.7 mp -59.35 148.53 32.05 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 177.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 25.8 t70 78.27 -7.74 1.76 Allowed 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 127.59 2.356 . . . . 0.0 113.332 -174.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 28.9 m -69.31 140.25 54.35 Favored 'General case' 0 C--O 1.236 0.359 0 O-C-N 121.048 -1.033 . . . . 0.0 108.896 171.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -81.87 139.74 34.52 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 174.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 1.4 m -146.01 159.45 11.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 124.554 1.142 . . . . 0.0 109.419 -175.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 2.2 m -89.22 133.24 34.51 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 104.725 -2.324 . . . . 0.0 104.725 169.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -105.96 139.38 40.59 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 174.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1547 ' ' LEU . . . . . 0.447 HD11 HD22 ' B' ' 369' ' ' LEU . 0.2 OUTLIER -139.72 107.87 5.76 Favored 'General case' 0 CA--C 1.514 -0.433 0 C-N-CA 123.426 0.691 . . . . 0.0 110.614 -169.504 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 13.7 m -62.19 132.85 54.12 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 104.747 -2.316 . . . . 0.0 104.747 168.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -49.79 -26.14 3.66 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 115.791 1.774 . . . . 0.0 115.791 -168.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 20.7 t70 -75.62 -46.92 28.83 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 119.014 0.825 . . . . 0.0 111.825 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 178.47 -24.01 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 177.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -57.64 120.88 9.11 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 119.14 0.882 . . . . 0.0 109.982 -169.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 2.3 t80 -116.89 130.81 56.94 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 125.456 1.502 . . . . 0.0 110.089 -168.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 1.6 p -152.14 178.52 9.39 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.032 1.733 . . . . 0.0 109.141 174.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -136.99 157.38 46.86 Favored 'General case' 0 N--CA 1.466 0.36 0 O-C-N 120.401 -1.437 . . . . 0.0 111.077 173.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -169.23 -160.98 18.69 Favored Glycine 0 CA--C 1.527 0.818 0 C-N-CA 126.184 1.849 . . . . 0.0 108.953 -171.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.1 t -130.65 143.56 40.56 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.31 0 CA-C-N 118.546 1.173 . . . . 0.0 109.147 -175.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 93.7 t -66.38 125.78 24.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 173.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 85.5 mttt -132.0 22.99 4.54 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.027 0.83 . . . . 0.0 111.904 169.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 176.58 178.78 46.62 Favored Glycine 0 CA--C 1.524 0.654 0 O-C-N 121.578 -0.701 . . . . 0.0 111.685 169.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 10.1 m80 -142.85 152.87 42.61 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 126.456 1.902 . . . . 0.0 111.086 -171.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 45.5 ttt180 -148.21 162.57 39.2 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 125.46 1.504 . . . . 0.0 107.247 170.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 4.0 mmmm -128.92 128.48 43.86 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 169.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -150.59 142.24 23.61 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 -176.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 25.3 m 50.86 30.33 5.08 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.079 0.952 . . . . 0.0 113.174 -178.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 67.6 31.39 76.21 Favored Glycine 0 CA--C 1.528 0.903 0 CA-C-O 119.167 -0.796 . . . . 0.0 112.614 -177.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -143.79 157.21 44.54 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 119.174 1.487 . . . . 0.0 107.824 -178.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 28.9 tp -92.5 139.5 30.52 Favored 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 124.596 1.158 . . . . 0.0 110.433 -169.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -128.99 159.78 34.82 Favored 'General case' 0 CA--C 1.517 -0.291 0 C-N-CA 126.063 1.745 . . . . 0.0 108.534 -178.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -141.88 137.05 31.09 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 107.243 -1.391 . . . . 0.0 107.243 -174.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.25 98.85 11.53 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 104.477 -2.416 . . . . 0.0 104.477 169.177 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 33.1 mm -79.35 128.11 38.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 178.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -84.0 120.78 26.53 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 102.922 -2.992 . . . . 0.0 102.922 168.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 24.2 ttpt -142.41 135.09 28.19 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 104.942 -2.244 . . . . 0.0 104.942 -171.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 54.64 25.62 6.58 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.264 0.625 . . . . 0.0 112.24 -173.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 80.96 14.07 80.11 Favored Glycine 0 C--N 1.343 0.96 0 CA-C-O 119.043 -0.865 . . . . 0.0 113.452 176.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -140.87 155.28 46.35 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 118.645 1.223 . . . . 0.0 110.107 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 58.7 mtp85 -80.51 141.66 34.94 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.725 -0.61 . . . . 0.0 109.716 -175.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -145.57 130.38 18.13 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 88.7 m95 -81.33 132.2 35.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 118.978 0.808 . . . . 0.0 110.284 176.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -134.08 164.24 27.77 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.012 1.325 . . . . 0.0 108.039 169.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -104.47 168.65 8.95 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.089 1.356 . . . . 0.0 110.239 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 14.1 ttp180 -49.28 -53.96 19.23 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 120.094 1.315 . . . . 0.0 113.66 -178.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 1.6 ppp? -70.06 -13.32 62.16 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 121.385 1.902 . . . . 0.0 113.492 -179.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -92.36 -4.75 53.4 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.991 1.317 . . . . 0.0 111.48 172.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 83.2 t -120.99 90.46 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 N-CA-C 106.204 -1.776 . . . . 0.0 106.204 176.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 10.3 pt -106.8 175.65 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.689 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 -176.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 6.5 mt -124.63 121.81 35.77 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -175.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 4.7 m -58.99 158.11 8.96 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 169.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 1.9 pp -54.89 -43.18 72.98 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 121.269 -0.894 . . . . 0.0 113.392 -169.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -67.76 -42.04 82.39 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 121.509 -0.745 . . . . 0.0 109.595 -178.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -60.08 -41.07 91.64 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.122 0.969 . . . . 0.0 109.948 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -70.67 -32.9 67.01 Favored Glycine 0 C--N 1.341 0.831 0 O-C-N 121.981 -0.45 . . . . 0.0 112.451 178.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -64.9 -38.98 92.79 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.936 0.895 . . . . 0.0 111.492 -178.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -54.1 -23.28 13.35 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 118.512 0.596 . . . . 0.0 112.083 174.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 11.8 mt -95.19 -31.31 13.57 Favored 'General case' 0 C--O 1.225 -0.213 0 C-N-CA 125.206 1.402 . . . . 0.0 111.207 -178.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 9.5 ttm-85 -57.56 -37.39 73.04 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.474 -0.766 . . . . 0.0 111.811 -171.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -57.09 -22.1 36.93 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.798 0.839 . . . . 0.0 113.131 177.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -115.4 -44.67 2.97 Favored 'General case' 0 C--N 1.346 0.451 0 CA-C-N 119.659 1.118 . . . . 0.0 112.665 177.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 6.6 m-30 -92.75 -10.47 36.89 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 123.594 0.758 . . . . 0.0 112.768 -169.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -54.84 130.23 46.21 Favored Glycine 0 CA--C 1.528 0.874 0 C-N-CA 125.627 1.584 . . . . 0.0 110.361 177.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1602 ' ' LEU . . . . . 0.548 HD22 HD23 ' A' 1534 ' ' LEU . 0.6 OUTLIER -65.38 -44.19 88.34 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 118.438 1.119 . . . . 0.0 109.218 173.425 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.292 0 N-CA-C 108.814 -1.714 . . . . 0.0 108.814 -176.445 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 363' ' ' ARG . . . . . . . . . . . . . 23.1 tpp85 . . . . . 0 N--CA 1.493 1.696 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -69.75 -35.51 75.02 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.775 0.658 . . . . 0.0 112.775 -172.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 365' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -155.05 166.21 34.28 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 124.906 1.282 . . . . 0.0 108.652 -178.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 366' ' ' SER . . . . . . . . . . . . . 47.4 m -67.06 -179.35 0.93 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.742 0.817 . . . . 0.0 111.573 170.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 12.6 m -59.66 -27.42 66.37 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.795 0.838 . . . . 0.0 112.966 -178.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 368' ' ' HIS . . . . . 0.428 ' HB3' ' H ' ' B' ' 369' ' ' LEU . 7.5 t60 43.94 -108.1 0.12 Allowed 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.597 1.559 . . . . 0.0 110.427 -171.295 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 369' ' ' LEU . . . . . 0.519 ' HG ' ' H ' ' B' ' 371' ' ' SER . 8.0 tp -156.43 142.77 18.33 Favored 'General case' 0 N--CA 1.443 -0.823 0 N-CA-C 104.922 -2.251 . . . . 0.0 104.922 -175.254 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 370' ' ' MLY . . . . . 0.49 HH12 ' CE3' ' A' 1495 ' ' TRP . . . . . . . . 0 CA--C 1.536 0.418 0 C-N-CA 124.195 0.998 . . . . 0.0 109.101 171.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 371' ' ' SER . . . . . 0.519 ' H ' ' HG ' ' B' ' 369' ' ' LEU 0.268 8.4 p 52.07 20.7 1.34 Allowed 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 129.702 3.201 . . . . 0.0 114.87 174.5 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 372' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -64.66 152.96 40.92 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.808 0.843 . . . . 0.0 110.799 -176.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 373' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -67.05 -34.8 78.48 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 122.375 0.27 . . . . 0.0 110.949 172.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 374' ' ' GLY . . . . . . . . . . . . . . . -110.22 50.91 0.74 Allowed Glycine 0 CA--C 1.526 0.743 0 C-N-CA 125.551 1.548 . . . . 0.0 109.645 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 32.4 tp60 -59.79 -29.65 68.36 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.007 0.923 . . . . 0.0 112.847 -174.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 13.1 m -142.39 162.62 35.0 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.549 1.14 . . . . 0.0 109.988 -172.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 5.2 m . . . . . 0 C--O 1.258 1.522 0 C-N-CA 124.892 1.277 . . . . 0.0 109.432 174.083 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.654 0 N-CA-C 111.397 -0.681 . . . . 0.0 111.397 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -68.13 154.87 40.8 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 117.636 0.718 . . . . 0.0 110.626 177.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 44.7 tpp -66.36 149.7 49.98 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 172.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 51.6 t30 -149.9 156.08 41.14 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 123.921 0.889 . . . . 0.0 109.533 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 42.2 m -53.59 107.95 0.3 Allowed 'General case' 0 C--O 1.235 0.3 0 C-N-CA 125.368 1.467 . . . . 0.0 110.472 -178.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 94.0 m-85 63.14 -64.27 0.11 Allowed 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 127.81 2.444 . . . . 0.0 113.766 177.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 4.1 t -56.15 111.98 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 C-N-CA 125.759 1.623 . . . . 0.0 108.942 -177.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 115.43 -21.57 12.78 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 125.301 1.429 . . . . 0.0 112.802 178.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 10.6 mp -72.75 140.09 47.55 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 118.754 1.277 . . . . 0.0 110.357 -175.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 57.1 mtp180 -81.72 126.32 31.66 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 105.558 -2.016 . . . . 0.0 105.558 168.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 14.4 m -143.51 -175.08 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 C-N-CA 124.852 1.261 . . . . 0.0 107.975 -173.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.8 t -121.93 144.4 31.27 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 N-CA-C 105.565 -2.013 . . . . 0.0 105.565 170.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -147.3 152.64 38.6 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.396 1.078 . . . . 0.0 109.046 -169.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 76.6 tttt -83.4 132.73 34.97 Favored 'General case' 0 CA--C 1.514 -0.442 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 16.3 t-105 -79.23 138.9 37.99 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 169.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 1.2 m -60.66 -23.34 64.72 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 117.952 2.575 . . . . 0.0 117.952 -168.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 15.3 m -73.99 45.11 0.2 Allowed 'General case' 0 N--CA 1.482 1.158 0 CA-C-N 121.104 1.775 . . . . 0.0 112.365 177.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 64.7 t30 46.95 37.17 4.64 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.621 1.968 . . . . 0.0 111.55 -169.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -84.91 -178.66 51.09 Favored Glycine 0 C--N 1.339 0.75 0 CA-C-O 122.626 1.126 . . . . 0.0 113.583 -169.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1500 ' ' TYR . . . . . 0.419 ' CG ' ' HA ' ' A' 1589 ' ' SER . 11.3 m-30 -66.65 168.68 8.95 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 126.27 1.828 . . . . 0.0 110.412 169.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -94.94 108.51 20.56 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 105.368 -2.086 . . . . 0.0 105.368 -178.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -98.17 151.96 19.87 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 125.055 1.342 . . . . 0.0 108.112 -175.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 3.8 m -69.12 148.74 49.52 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 123.325 0.65 . . . . 0.0 110.262 175.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -172.37 -177.5 41.87 Favored Glycine 0 C--N 1.331 0.289 0 O-C-N 121.641 -0.662 . . . . 0.0 112.378 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -126.19 129.39 48.9 Favored 'General case' 0 CA--C 1.513 -0.466 0 C-N-CA 125.913 1.685 . . . . 0.0 106.593 -174.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 20.2 mt -72.28 128.32 35.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 106.872 -1.529 . . . . 0.0 106.872 179.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 73.2 p -102.94 -36.01 8.36 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 123.365 0.666 . . . . 0.0 110.519 -171.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -167.73 142.35 3.67 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 124.141 0.976 . . . . 0.0 111.087 176.591 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 6.1 t0 -70.77 103.5 2.61 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 168.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.5 t -64.78 -50.7 74.12 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 -176.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 148.67 163.73 11.04 Favored Glycine 0 C--N 1.338 0.656 0 N-CA-C 109.679 -1.368 . . . . 0.0 109.679 178.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 57.22 9.43 0.69 Allowed 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 115.016 1.487 . . . . 0.0 115.016 177.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 105.17 -5.69 42.13 Favored Glycine 0 C--O 1.222 -0.642 0 C-N-CA 125.099 1.333 . . . . 0.0 111.328 -176.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 11.9 mtpp -75.03 135.49 41.26 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 120.021 1.911 . . . . 0.0 106.983 169.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -126.0 137.41 53.66 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 105.494 -2.039 . . . . 0.0 105.494 169.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 28.8 ttpt -84.33 138.49 32.86 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 176.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.4 mm? -125.17 118.29 25.74 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 125.001 1.32 . . . . 0.0 108.349 -169.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 32.0 tp -84.02 93.85 8.17 Favored 'General case' 0 CA--C 1.511 -0.539 0 N-CA-C 103.697 -2.705 . . . . 0.0 103.697 168.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -55.81 147.39 19.15 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 172.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -68.03 -17.01 64.28 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.086 -169.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 55.9 p-10 -84.39 5.08 28.49 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.485 1.514 . . . . 0.0 112.603 171.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 102.2 -4.56 51.97 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 125.304 1.431 . . . . 0.0 114.536 169.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -82.3 157.06 23.98 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 118.523 1.161 . . . . 0.0 110.042 -174.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -140.84 117.98 11.27 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 123.683 0.793 . . . . 0.0 108.874 -175.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 97.3 m -144.66 166.46 25.14 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 125.941 1.696 . . . . 0.0 107.799 174.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -94.16 145.23 24.84 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 123.552 0.741 . . . . 0.0 109.706 175.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 84.1 t -144.23 137.48 23.43 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 -174.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 7.7 mt -74.73 150.49 39.43 Favored 'General case' 0 CA--C 1.514 -0.427 0 C-N-CA 122.916 0.487 . . . . 0.0 111.053 178.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -55.44 -33.74 59.03 Favored Glycine 0 C--N 1.333 0.411 0 C-N-CA 124.402 1.001 . . . . 0.0 113.451 -178.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.85 -32.96 64.1 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 117.548 0.674 . . . . 0.0 110.413 176.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -99.72 22.47 10.94 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.579 1.551 . . . . 0.0 112.098 -170.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -132.08 136.29 56.89 Favored 'Isoleucine or valine' 0 C--N 1.347 0.467 0 N-CA-C 107.135 -1.432 . . . . 0.0 107.135 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 62.9 mt -116.25 115.21 25.55 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 127.368 2.267 . . . . 0.0 104.957 -176.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1534 ' ' LEU . . . . . 0.546 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -110.7 -3.35 15.86 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 116.165 1.913 . . . . 0.0 116.165 -169.286 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 22.9 p -132.91 52.73 2.06 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 106.395 -1.706 . . . . 0.0 106.395 -177.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 51.3 t0 -115.44 62.65 1.78 Allowed Pre-proline 0 CA--C 1.541 0.62 0 N-CA-C 117.439 2.385 . . . . 0.0 117.439 -168.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -72.49 119.54 6.18 Favored 'Trans proline' 0 CA--C 1.545 1.071 1 N-CA-C 101.129 -4.22 . . . . 0.0 101.129 166.08 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 9.7 mm -59.85 122.79 68.18 Favored Pre-proline 0 CA--C 1.538 0.506 0 CA-C-N 119.5 1.045 . . . . 0.0 109.496 -168.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -65.73 142.74 71.44 Favored 'Trans proline' 0 N--CA 1.452 -0.942 0 C-N-CA 121.453 1.436 . . . . 0.0 110.139 176.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1540 ' ' LEU . . . . . 0.406 ' H ' HD12 ' A' 1540 ' ' LEU . 4.4 mp -56.75 146.92 24.39 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 174.227 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 4.5 t70 77.18 -3.88 2.41 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 127.455 2.302 . . . . 0.0 113.57 -177.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 21.6 m -69.72 136.35 50.9 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 171.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -75.01 136.5 41.24 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 170.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 2.3 m -145.3 160.06 13.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 124.765 1.226 . . . . 0.0 109.183 -177.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 4.4 m -90.68 141.97 28.24 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 106.23 -1.767 . . . . 0.0 106.23 169.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -118.37 141.77 48.2 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 126.161 1.784 . . . . 0.0 107.866 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1547 ' ' LEU . . . . . 0.412 HD11 ' CD2' ' B' ' 369' ' ' LEU . 0.4 OUTLIER -138.75 122.08 17.1 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 123.98 0.912 . . . . 0.0 110.94 -169.644 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 15.5 m -73.41 162.12 29.66 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 107.061 -1.459 . . . . 0.0 107.061 168.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -74.23 13.14 0.61 Allowed 'General case' 0 CA--C 1.55 0.952 0 O-C-N 120.872 -1.142 . . . . 0.0 112.7 -175.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 21.0 t0 -147.18 60.45 1.17 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.98 1.712 . . . . 0.0 108.913 -177.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1551 ' ' GLU . . . . . . . . . . . . 0.268 6.8 pt-20 58.96 -7.61 0.05 OUTLIER 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 119.304 3.075 . . . . 0.0 119.304 171.104 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -59.82 128.98 39.58 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 121.595 1.998 . . . . 0.0 108.534 171.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -137.09 129.96 30.55 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 124.453 1.101 . . . . 0.0 109.474 -169.161 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 3.3 p -152.06 177.9 10.01 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.609 1.563 . . . . 0.0 109.367 174.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -131.06 156.88 44.43 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 119.723 1.147 . . . . 0.0 111.28 174.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.31 -160.06 17.76 Favored Glycine 0 CA--C 1.528 0.901 0 C-N-CA 126.362 1.934 . . . . 0.0 109.038 -170.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.0 t -133.26 142.66 41.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 CA-C-N 118.943 1.371 . . . . 0.0 109.731 -174.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 71.4 t -65.43 129.42 29.64 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.161 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 172.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -132.93 13.76 4.32 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.813 1.245 . . . . 0.0 111.576 171.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -177.47 173.3 46.04 Favored Glycine 0 C--N 1.342 0.896 0 CA-C-N 119.474 1.034 . . . . 0.0 112.603 174.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 13.7 m80 -135.25 153.82 51.78 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 126.33 1.852 . . . . 0.0 109.897 -178.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 44.7 ttt180 -149.27 161.05 42.79 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 107.078 -1.453 . . . . 0.0 107.078 172.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -131.24 125.53 33.13 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 106.102 -1.814 . . . . 0.0 106.102 169.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -150.44 138.99 20.58 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 -173.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 37.0 m 49.73 30.76 3.91 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.422 1.089 . . . . 0.0 113.864 178.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 67.11 35.41 88.78 Favored Glycine 0 CA--C 1.531 1.07 0 CA-C-O 119.349 -0.695 . . . . 0.0 112.405 -178.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -140.68 151.24 44.4 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 106.441 -1.689 . . . . 0.0 106.441 176.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 40.3 tp -93.11 139.07 30.95 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 -174.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -130.7 156.43 44.94 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 124.618 1.167 . . . . 0.0 108.833 -174.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -136.67 134.41 37.22 Favored 'General case' 0 N--CA 1.446 -0.661 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 -177.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 36.9 t -82.44 107.35 15.03 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 102.281 -3.229 . . . . 0.0 102.281 168.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 24.7 mm -89.86 124.78 42.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 104.977 -2.231 . . . . 0.0 104.977 171.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -84.27 114.25 21.71 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 103.731 -2.692 . . . . 0.0 103.731 168.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -144.2 137.15 27.17 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 105.643 -1.984 . . . . 0.0 105.643 -169.431 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 51.15 32.13 7.53 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.799 0.84 . . . . 0.0 112.179 -170.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 68.03 24.26 74.51 Favored Glycine 0 CA--C 1.532 1.146 0 CA-C-O 119.278 -0.734 . . . . 0.0 113.336 178.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -139.05 144.65 38.9 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 118.41 1.105 . . . . 0.0 109.414 178.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 75.3 mtm-85 -83.86 125.63 32.16 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -178.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -139.54 131.28 27.43 Favored 'General case' 0 CA--C 1.523 -0.064 0 N-CA-C 107.021 -1.474 . . . . 0.0 107.021 -169.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 88.9 m95 -80.12 126.68 31.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 118.243 0.474 . . . . 0.0 110.128 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -127.61 146.49 50.52 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 106.6 -1.63 . . . . 0.0 106.6 169.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -86.96 165.45 15.85 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.24 1.016 . . . . 0.0 110.084 -176.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -48.63 -51.47 27.99 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 119.506 1.048 . . . . 0.0 113.24 -177.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 2.1 ppp? -67.47 -21.91 65.5 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 119.9 1.227 . . . . 0.0 113.036 -179.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -81.44 -11.49 59.22 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 118.631 -0.7 . . . . 0.0 111.556 176.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 92.2 t -113.12 91.27 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 N-CA-C 105.651 -1.981 . . . . 0.0 105.651 -174.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 9.3 pt -105.14 164.46 3.98 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 N-CA-C 107.551 -1.278 . . . . 0.0 107.551 -176.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 8.0 mt -108.08 122.77 47.56 Favored 'General case' 0 CA--C 1.509 -0.617 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 -176.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1589 ' ' SER . . . . . 0.419 ' HA ' ' CG ' ' A' 1500 ' ' TYR . 1.5 m -56.79 141.07 45.71 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 106.254 -1.758 . . . . 0.0 106.254 169.499 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.3 pp -52.22 -37.84 56.27 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 114.172 1.175 . . . . 0.0 114.172 -168.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -67.84 -41.16 83.4 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 119.115 0.87 . . . . 0.0 109.781 178.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -67.55 -40.18 84.98 Favored 'General case' 0 C--O 1.223 -0.337 0 O-C-N 121.676 -0.64 . . . . 0.0 109.38 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -64.41 -31.43 80.84 Favored Glycine 0 CA--C 1.528 0.876 0 O-C-N 121.309 -0.869 . . . . 0.0 112.092 174.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -64.84 -37.44 87.64 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 120.886 -1.361 . . . . 0.0 110.943 178.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -56.41 -23.88 41.24 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 118.455 0.571 . . . . 0.0 111.466 177.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 6.6 mp -99.45 -24.18 14.87 Favored 'General case' 0 C--N 1.342 0.275 0 C-N-CA 125.341 1.456 . . . . 0.0 111.327 -179.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 66.2 ttp85 -55.05 -38.51 68.1 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 119.973 1.26 . . . . 0.0 111.477 -177.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -59.46 -20.42 55.04 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-O 118.178 -0.915 . . . . 0.0 113.407 178.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -114.74 -48.5 2.85 Favored 'General case' 0 C--N 1.346 0.428 0 CA-C-N 120.096 1.316 . . . . 0.0 111.954 178.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.0 m-30 -91.68 -9.12 45.02 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 123.96 0.904 . . . . 0.0 112.268 -170.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -54.01 130.99 44.48 Favored Glycine 0 CA--C 1.527 0.816 0 C-N-CA 125.267 1.413 . . . . 0.0 110.795 177.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1602 ' ' LEU . . . . . 0.546 HD22 HD23 ' A' 1534 ' ' LEU . 0.6 OUTLIER -65.96 -44.8 83.94 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 118.455 1.128 . . . . 0.0 109.378 172.753 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.254 0 N-CA-C 109.421 -1.472 . . . . 0.0 109.421 -174.842 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 363' ' ' ARG . . . . . . . . . . . . . 59.0 ttm-85 . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -109.48 -31.66 7.43 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 113.213 0.82 . . . . 0.0 113.213 175.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 365' ' ' HIS . . . . . . . . . . . . . 68.5 t60 -152.72 169.45 22.72 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 119.491 1.041 . . . . 0.0 108.727 177.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 366' ' ' SER . . . . . . . . . . . . . 7.9 m -74.01 44.76 0.19 Allowed 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 127.647 2.379 . . . . 0.0 113.076 -177.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 14.0 m 70.62 -28.92 0.18 Allowed 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 128.917 2.887 . . . . 0.0 114.885 174.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 368' ' ' HIS . . . . . 0.403 ' CD2' HD13 ' A' 1547 ' ' LEU 0.301 0.2 OUTLIER 37.99 -103.29 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 128.099 2.56 . . . . 0.0 113.761 -169.963 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' B' B ' 369' ' ' LEU . . . . . 0.412 ' CD2' HD11 ' A' 1547 ' ' LEU . 55.8 tp -162.48 149.66 13.57 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-N 120.118 1.326 . . . . 0.0 110.572 -168.416 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 370' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.622 0 C-N-CA 125.775 1.63 . . . . 0.0 112.906 175.478 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 371' ' ' SER . . . . . . . . . . . . 0.262 14.3 p 56.85 165.69 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 129.413 3.085 . . . . 0.0 114.738 173.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 372' ' ' LYS . . . . . . . . . . . . . 56.4 tptt -55.39 -32.04 62.31 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 120.011 -1.681 . . . . 0.0 112.815 -169.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 373' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -75.87 -15.72 60.17 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 117.898 -1.049 . . . . 0.0 113.439 -178.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 374' ' ' GLY . . . . . . . . . . . . . . . -139.82 -14.96 0.56 Allowed Glycine 0 CA--C 1.532 1.13 0 CA-C-N 120.062 1.301 . . . . 0.0 115.127 -170.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 49.2 tp60 -64.55 -27.71 69.14 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 118.975 1.387 . . . . 0.0 111.517 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 17.1 m -144.53 162.71 35.89 Favored 'General case' 0 C--O 1.24 0.599 0 C-N-CA 125.736 1.614 . . . . 0.0 108.718 178.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.255 1.386 0 C-N-CA 123.719 0.808 . . . . 0.0 109.926 169.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.612 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -132.37 10.88 4.49 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.649 0.78 . . . . 0.0 111.921 -170.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 26.3 ttt -65.87 150.05 49.21 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 121.458 -0.776 . . . . 0.0 109.171 174.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 49.7 t30 -147.52 159.76 43.37 Favored 'General case' 0 C--O 1.232 0.136 0 C-N-CA 124.992 1.317 . . . . 0.0 108.442 176.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 16.3 m -62.84 87.23 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.707 1.603 . . . . 0.0 110.9 178.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 92.0 m-85 67.11 -61.24 0.35 Allowed 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 128.301 2.64 . . . . 0.0 113.674 174.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 13.8 t -61.25 120.27 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 C-N-CA 124.084 0.954 . . . . 0.0 108.777 -175.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 110.78 -28.35 10.07 Favored Glycine 0 CA--C 1.53 1.005 0 C-N-CA 124.964 1.268 . . . . 0.0 112.619 -177.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 49.5 mt -69.52 139.16 53.79 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 118.728 1.264 . . . . 0.0 112.215 -174.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 50.7 mtp180 -81.82 128.43 34.01 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 105.668 -1.975 . . . . 0.0 105.668 168.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 14.7 m -145.79 -176.98 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 124.924 1.29 . . . . 0.0 107.63 -172.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.5 t -118.97 143.47 30.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 N-CA-C 105.357 -2.09 . . . . 0.0 105.357 169.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -147.11 153.08 39.51 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 124.233 1.013 . . . . 0.0 110.021 -169.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 79.3 tttt -82.71 130.69 35.17 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 -179.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 20.6 t-105 -75.09 141.72 43.75 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 169.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 2.0 p -62.2 -25.37 67.75 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 117.246 2.313 . . . . 0.0 117.246 -168.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 6.6 m -75.85 46.9 0.4 Allowed 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 121.208 1.822 . . . . 0.0 112.365 178.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 63.2 t30 45.6 42.52 8.28 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.164 1.786 . . . . 0.0 111.658 -170.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -90.21 -177.23 44.75 Favored Glycine 0 C--N 1.339 0.739 0 CA-C-O 122.761 1.201 . . . . 0.0 113.307 -169.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 12.1 m-30 -68.05 168.57 11.71 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 126.907 2.083 . . . . 0.0 110.62 169.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 5.4 m-30 -90.83 108.23 19.7 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 105.947 -1.872 . . . . 0.0 105.947 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -98.1 151.86 19.93 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.0 1.32 . . . . 0.0 108.096 -178.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 4.7 m -72.68 149.23 44.0 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 123.22 0.608 . . . . 0.0 110.363 177.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -173.26 -176.03 41.48 Favored Glycine 0 C--N 1.335 0.51 0 O-C-N 121.654 -0.654 . . . . 0.0 112.318 -177.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 38.7 mtmt -126.0 128.84 48.09 Favored 'General case' 0 CA--C 1.514 -0.428 0 C-N-CA 126.569 1.948 . . . . 0.0 106.868 -174.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 21.9 mt -72.52 134.23 30.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 106.733 -1.58 . . . . 0.0 106.733 177.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 43.6 p -110.12 -30.37 7.79 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 123.327 0.651 . . . . 0.0 109.789 -172.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 13.4 ttt-85 -168.12 149.0 5.02 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 115.727 -0.67 . . . . 0.0 112.215 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 6.5 t70 -78.45 110.35 13.45 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 103.761 -2.681 . . . . 0.0 103.761 167.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.5 t -71.58 -49.93 43.12 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 -179.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 147.73 164.04 11.03 Favored Glycine 0 C--N 1.338 0.665 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 178.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 60.3 4.52 0.69 Allowed 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 115.304 1.594 . . . . 0.0 115.304 177.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 107.86 -7.17 35.67 Favored Glycine 0 CA--C 1.523 0.556 0 C-N-CA 124.656 1.122 . . . . 0.0 111.087 -173.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -75.07 138.54 42.2 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 120.074 1.937 . . . . 0.0 107.993 169.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -127.9 137.5 52.33 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 105.091 -2.189 . . . . 0.0 105.091 169.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 29.4 ttpt -83.68 138.14 33.45 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 177.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.3 mm? -124.87 118.43 26.31 Favored 'General case' 0 CA--C 1.51 -0.572 0 C-N-CA 125.091 1.356 . . . . 0.0 108.891 -169.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 33.1 tp -84.08 92.96 8.01 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 103.686 -2.709 . . . . 0.0 103.686 168.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -54.49 148.12 12.74 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 171.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -67.74 -19.81 65.17 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 122.724 0.41 . . . . 0.0 111.953 -169.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 55.8 p30 -80.01 -0.1 33.96 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.586 1.554 . . . . 0.0 112.978 171.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 106.04 -4.23 38.59 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 125.46 1.505 . . . . 0.0 114.087 169.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -81.69 157.63 24.54 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 118.38 1.09 . . . . 0.0 110.155 -174.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -141.43 118.46 11.24 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 123.363 0.665 . . . . 0.0 109.287 -174.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 74.2 m -144.31 164.44 30.76 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 125.339 1.456 . . . . 0.0 108.472 174.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -81.33 145.13 31.02 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 170.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 97.0 t -142.06 139.23 30.49 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.178 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 177.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.7 mt -79.33 152.78 30.27 Favored 'General case' 0 CA--C 1.512 -0.498 0 C-N-CA 123.139 0.576 . . . . 0.0 111.937 179.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -53.7 -39.69 61.85 Favored Glycine 0 CA--C 1.523 0.534 0 C-N-CA 124.456 1.027 . . . . 0.0 113.788 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1530 ' ' LYS . . . . . . . . . . . . 0.255 0.0 OUTLIER -65.59 -9.98 31.51 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 118.685 1.242 . . . . 0.0 113.128 178.087 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -112.13 21.32 15.98 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.657 1.583 . . . . 0.0 111.525 -177.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -133.66 138.91 49.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 73.5 mt -120.48 116.16 24.89 Favored 'General case' 0 CA--C 1.521 -0.172 0 N-CA-C 104.609 -2.367 . . . . 0.0 104.609 -177.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1534 ' ' LEU . . . . . 0.552 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -109.3 -3.1 17.41 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 116.655 2.094 . . . . 0.0 116.655 -169.013 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 24.2 p -134.6 53.81 1.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 105.929 -1.878 . . . . 0.0 105.929 -177.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 51.9 t0 -117.26 64.54 3.84 Favored Pre-proline 0 CA--C 1.541 0.597 0 N-CA-C 117.273 2.323 . . . . 0.0 117.273 -168.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -72.11 120.36 6.76 Favored 'Trans proline' 0 CA--C 1.545 1.066 1 N-CA-C 100.981 -4.276 . . . . 0.0 100.981 165.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 10.3 mm -60.13 124.08 75.72 Favored Pre-proline 0 CA--C 1.538 0.511 0 CA-C-N 119.3 0.954 . . . . 0.0 109.865 -168.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -61.66 143.6 96.74 Favored 'Trans proline' 0 N--CA 1.454 -0.828 0 C-N-CA 122.066 1.844 . . . . 0.0 110.712 175.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1540 ' ' LEU . . . . . 0.486 ' H ' HD12 ' A' 1540 ' ' LEU . 4.1 mp -59.52 149.63 29.29 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 169.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 21.8 t70 74.27 -4.6 2.26 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 127.04 2.136 . . . . 0.0 113.536 -175.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 19.2 m -70.72 133.58 46.72 Favored 'General case' 0 C--O 1.238 0.475 0 O-C-N 120.826 -1.171 . . . . 0.0 108.402 171.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -74.48 136.31 42.26 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 170.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 2.4 m -145.94 160.56 11.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 C-N-CA 124.309 1.043 . . . . 0.0 109.506 -175.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 7.6 m -90.25 143.12 27.06 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 105.954 -1.869 . . . . 0.0 105.954 169.054 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -121.64 143.29 49.41 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 125.907 1.683 . . . . 0.0 107.438 -179.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1547 ' ' LEU . . . . . 0.4 HD11 ' CD2' ' B' ' 369' ' ' LEU . 0.5 OUTLIER -138.59 120.44 15.38 Favored 'General case' 0 CA--C 1.518 -0.288 0 C-N-CA 124.04 0.936 . . . . 0.0 109.03 -169.931 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 14.8 m -71.45 158.56 36.06 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 106.655 -1.609 . . . . 0.0 106.655 168.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -73.63 12.86 0.56 Allowed 'General case' 0 CA--C 1.55 0.946 0 O-C-N 121.264 -0.898 . . . . 0.0 112.879 -171.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 25.1 t0 -143.18 57.53 1.39 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.649 1.58 . . . . 0.0 109.293 177.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1551 ' ' GLU . . . . . . . . . . . . 0.286 9.4 pt-20 59.5 2.97 0.37 Allowed 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 119.34 3.089 . . . . 0.0 119.34 169.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -66.31 131.73 46.77 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 120.47 1.487 . . . . 0.0 107.403 169.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -134.22 130.63 37.47 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.358 1.063 . . . . 0.0 109.974 -169.567 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 2.4 p -152.05 178.82 9.05 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.654 1.582 . . . . 0.0 109.504 173.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -131.42 159.2 38.72 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 119.599 1.091 . . . . 0.0 111.0 173.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.87 -159.8 17.8 Favored Glycine 0 CA--C 1.528 0.893 0 C-N-CA 126.348 1.928 . . . . 0.0 109.278 -172.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.4 t -130.98 142.23 44.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-N 118.743 1.271 . . . . 0.0 109.454 -175.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 80.9 t -64.59 126.29 23.15 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 171.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 82.3 mttt -131.84 20.34 4.59 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 119.494 1.043 . . . . 0.0 111.732 170.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 176.98 179.34 47.33 Favored Glycine 0 CA--C 1.524 0.622 0 O-C-N 121.762 -0.586 . . . . 0.0 111.989 169.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 10.3 m80 -141.95 157.26 45.16 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 125.893 1.677 . . . . 0.0 110.887 -172.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 6.4 ttt-85 -151.01 157.59 43.06 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 125.916 1.686 . . . . 0.0 107.319 169.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -133.54 120.51 20.87 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 105.849 -1.908 . . . . 0.0 105.849 173.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -151.86 140.75 21.03 Favored 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 -174.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 31.4 m 50.62 30.93 5.21 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.592 1.157 . . . . 0.0 113.429 178.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 68.18 31.64 75.04 Favored Glycine 0 CA--C 1.528 0.905 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.299 -178.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -136.84 155.79 49.33 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 118.785 1.293 . . . . 0.0 107.626 176.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 36.9 tp -103.83 132.46 50.06 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 125.444 1.498 . . . . 0.0 107.9 -172.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -124.44 155.4 38.94 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 125.084 1.354 . . . . 0.0 108.651 -174.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -138.25 128.41 25.81 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 106.382 -1.71 . . . . 0.0 106.382 -176.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -86.19 96.19 9.84 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 104.748 -2.316 . . . . 0.0 104.748 169.616 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 36.7 mm -79.04 130.53 36.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 105.98 -1.859 . . . . 0.0 105.98 177.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -83.9 118.11 23.77 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 103.695 -2.706 . . . . 0.0 103.695 168.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -143.93 134.56 24.93 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 105.055 -2.202 . . . . 0.0 105.055 -169.747 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 51.16 35.06 12.32 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.757 0.823 . . . . 0.0 111.637 -169.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 73.64 15.41 79.33 Favored Glycine 0 CA--C 1.532 1.115 0 CA-C-O 119.008 -0.885 . . . . 0.0 114.184 173.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -143.86 157.75 44.15 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 118.871 1.336 . . . . 0.0 109.5 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -79.99 140.97 36.38 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 121.555 -0.716 . . . . 0.0 109.263 -176.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -143.1 130.51 21.06 Favored 'General case' 0 CA--C 1.521 -0.136 0 N-CA-C 106.058 -1.83 . . . . 0.0 106.058 -178.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 89.6 m95 -80.83 131.63 35.41 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 118.741 0.701 . . . . 0.0 110.131 176.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -133.13 162.7 31.05 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 169.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -107.96 166.54 10.64 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.354 1.062 . . . . 0.0 109.791 -176.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 20.8 ttp180 -48.43 -47.0 38.32 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -178.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 1.7 ppp? -69.16 -23.97 64.01 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 120.648 1.567 . . . . 0.0 112.531 179.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -87.79 -6.29 58.22 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 124.59 1.156 . . . . 0.0 111.543 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 92.7 t -116.8 99.44 8.29 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.538 0 N-CA-C 105.84 -1.911 . . . . 0.0 105.84 -178.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 8.5 pt -116.75 164.1 13.36 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -172.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 8.7 mt -112.95 125.41 54.36 Favored 'General case' 0 CA--C 1.509 -0.626 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 -171.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.67 136.26 58.01 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 105.821 -1.918 . . . . 0.0 105.821 169.146 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 3.0 pp -54.65 -36.17 64.29 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -169.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -63.18 -37.53 87.57 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.633 0.773 . . . . 0.0 109.517 -178.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 44.1 mm-40 -75.5 -45.19 39.79 Favored 'General case' 0 C--O 1.225 -0.207 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 178.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -58.53 -31.2 66.44 Favored Glycine 0 C--N 1.34 0.76 0 C-N-CA 123.66 0.647 . . . . 0.0 112.062 178.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -58.32 -40.43 82.06 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 118.558 1.179 . . . . 0.0 111.744 174.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -61.27 -22.26 64.67 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 118.927 0.785 . . . . 0.0 111.733 177.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 7.3 mp -94.53 -26.12 16.56 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 124.067 0.947 . . . . 0.0 110.733 175.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -57.65 -39.72 77.65 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.881 1.272 . . . . 0.0 110.486 -176.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -58.99 -19.4 43.04 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-O 117.737 -1.125 . . . . 0.0 113.614 178.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -115.42 -49.99 2.74 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 120.575 1.534 . . . . 0.0 112.177 176.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 8.9 m-30 -91.43 -9.6 44.04 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 124.756 1.223 . . . . 0.0 112.258 -170.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -55.38 130.91 48.49 Favored Glycine 0 CA--C 1.523 0.586 0 C-N-CA 125.206 1.384 . . . . 0.0 109.891 177.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1602 ' ' LEU . . . . . 0.552 HD22 HD23 ' A' 1534 ' ' LEU . 0.4 OUTLIER -64.65 -45.48 86.62 Favored 'General case' 0 N--CA 1.462 0.154 0 N-CA-C 107.377 -1.342 . . . . 0.0 107.377 170.681 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.423 0 N-CA-C 107.686 -2.166 . . . . 0.0 107.686 175.38 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 363' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 . . . . . 0 N--CA 1.492 1.643 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -136.29 -55.63 0.75 Allowed 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 123.619 0.767 . . . . 0.0 110.493 175.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 365' ' ' HIS . . . . . . . . . . . . . 28.2 t60 -158.3 169.18 25.06 Favored 'General case' 0 C--O 1.238 0.497 0 C-N-CA 124.678 1.191 . . . . 0.0 108.923 177.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 366' ' ' SER . . . . . . . . . . . . . 13.7 m -66.75 -176.65 0.51 Allowed 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 124.611 1.164 . . . . 0.0 110.646 169.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 11.1 m -55.38 -26.57 42.16 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.836 0.854 . . . . 0.0 113.225 172.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 368' ' ' HIS . . . . . . . . . . . . . 4.2 t60 58.01 -70.61 0.02 OUTLIER 'General case' 0 C--N 1.34 0.161 0 C-N-CA 128.347 2.659 . . . . 0.0 112.111 -169.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 369' ' ' LEU . . . . . 0.4 ' CD2' HD11 ' A' 1547 ' ' LEU . 57.9 tp -172.27 137.14 0.86 Allowed 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 -176.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 370' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.423 0 N-CA-C 102.88 -3.007 . . . . 0.0 102.88 169.708 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 371' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.25 -24.19 67.76 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.821 1.648 . . . . 0.0 114.011 -169.043 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 372' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -140.1 18.95 2.44 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.033 0.933 . . . . 0.0 112.967 175.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 373' ' ' LYS . . . . . . . . . . . . . 15.1 ttpp -149.17 35.95 0.75 Allowed 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 119.188 0.904 . . . . 0.0 112.489 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 374' ' ' GLY . . . . . . . . . . . . . . . -179.95 -100.27 0.14 Allowed Glycine 0 C--N 1.335 0.51 0 N-CA-C 109.839 -1.305 . . . . 0.0 109.839 177.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 19.8 mm100 -78.48 49.84 0.9 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.238 1.015 . . . . 0.0 109.136 170.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 10.3 m -61.31 156.35 19.03 Favored 'General case' 0 C--O 1.241 0.614 0 C-N-CA 125.514 1.526 . . . . 0.0 111.878 -174.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 2.4 p . . . . . 0 C--O 1.252 1.226 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.363 169.728 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.676 0 N-CA-C 112.033 -0.427 . . . . 0.0 112.033 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -62.8 143.99 56.98 Favored 'General case' 0 C--O 1.236 0.347 0 O-C-N 121.91 -0.759 . . . . 0.0 110.417 176.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 41.6 tpp -153.04 148.37 26.96 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 169.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -158.96 160.71 36.32 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 125.525 1.53 . . . . 0.0 107.807 177.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 36.5 m -47.16 -48.76 23.41 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.771 1.228 . . . . 0.0 113.321 172.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -150.58 -48.18 0.12 Allowed 'General case' 0 C--O 1.225 -0.202 0 C-N-CA 123.2 0.6 . . . . 0.0 111.16 -170.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 6.9 t -63.06 114.65 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 C-N-CA 125.748 1.619 . . . . 0.0 109.076 -172.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 112.91 -19.91 20.4 Favored Glycine 0 CA--C 1.528 0.846 0 C-N-CA 124.416 1.008 . . . . 0.0 112.427 179.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 9.5 mp -76.04 140.46 41.95 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 118.694 1.247 . . . . 0.0 109.939 -173.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 26.2 mtt-85 -79.09 129.86 34.89 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 106.553 -1.647 . . . . 0.0 106.553 168.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 16.5 m -147.76 -175.37 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 C-N-CA 124.948 1.299 . . . . 0.0 108.175 -174.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 4.1 t -118.91 144.15 28.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 105.335 -2.098 . . . . 0.0 105.335 169.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -145.73 152.45 39.61 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.475 1.11 . . . . 0.0 109.14 -169.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 78.1 tttt -83.01 131.94 35.16 Favored 'General case' 0 CA--C 1.515 -0.371 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 177.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 15.0 t-105 -76.32 139.04 40.87 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 108.444 -0.946 . . . . 0.0 108.444 169.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 1.5 m -60.35 -23.25 64.11 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 118.426 2.75 . . . . 0.0 118.426 -168.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 12.6 m -76.81 45.83 0.43 Allowed 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 121.455 1.934 . . . . 0.0 111.828 179.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 65.5 t30 49.3 36.86 10.25 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.365 1.866 . . . . 0.0 111.422 -169.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -81.06 179.51 53.57 Favored Glycine 0 C--N 1.339 0.744 0 CA-C-O 122.704 1.169 . . . . 0.0 114.175 -169.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 11.4 m-30 -69.75 167.96 16.01 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 125.978 1.711 . . . . 0.0 109.965 169.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -93.72 108.3 20.07 Favored 'General case' 0 N--CA 1.442 -0.832 0 N-CA-C 105.967 -1.864 . . . . 0.0 105.967 -177.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -99.62 155.04 17.81 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 -178.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 6.9 m -66.11 146.17 54.97 Favored 'General case' 0 C--O 1.236 0.345 0 O-C-N 121.529 -0.732 . . . . 0.0 110.425 173.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -167.22 -179.01 39.9 Favored Glycine 0 C--N 1.332 0.326 0 N-CA-C 111.612 -0.595 . . . . 0.0 111.612 -179.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -134.34 126.16 29.09 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 105.926 -1.879 . . . . 0.0 105.926 -170.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 15.8 mt -73.13 134.43 29.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 106.749 -1.574 . . . . 0.0 106.749 -176.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 51.3 p -110.03 -35.97 5.99 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 123.003 0.521 . . . . 0.0 110.669 -171.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -166.6 141.91 4.4 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.772 0.829 . . . . 0.0 111.432 174.436 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 5.9 t0 -69.36 102.56 1.78 Allowed 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 124.907 1.283 . . . . 0.0 107.666 168.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.5 t -64.96 -51.07 71.34 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 -176.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 146.19 164.86 11.16 Favored Glycine 0 C--N 1.339 0.741 0 N-CA-C 109.762 -1.335 . . . . 0.0 109.762 179.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 59.02 8.03 0.93 Allowed 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 178.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 103.66 -6.77 49.14 Favored Glycine 0 C--N 1.34 0.8 0 C-N-CA 124.228 0.918 . . . . 0.0 111.362 -173.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -75.34 137.62 41.22 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 120.567 2.183 . . . . 0.0 107.927 169.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -127.69 136.47 51.62 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 105.155 -2.165 . . . . 0.0 105.155 169.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -82.98 137.34 34.2 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 177.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 2.9 mm? -124.39 118.98 27.91 Favored 'General case' 0 CA--C 1.511 -0.556 0 C-N-CA 125.232 1.413 . . . . 0.0 109.046 -169.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 35.6 tp -84.07 98.05 9.65 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 105.543 -2.021 . . . . 0.0 105.543 169.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -61.92 152.88 30.79 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 122.851 0.461 . . . . 0.0 109.884 175.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -65.79 -23.03 66.62 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 122.142 -0.349 . . . . 0.0 110.994 170.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 26.4 t0 -62.39 -15.28 47.98 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.494 1.518 . . . . 0.0 111.8 170.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 102.29 -0.16 50.53 Favored Glycine 0 CA--C 1.533 1.163 0 C-N-CA 125.474 1.511 . . . . 0.0 113.245 171.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -93.67 162.12 14.07 Favored 'General case' 0 C--O 1.228 -0.06 0 C-N-CA 124.481 1.113 . . . . 0.0 109.728 -173.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -138.51 118.94 13.77 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 79.8 m -146.25 165.23 29.84 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 125.733 1.613 . . . . 0.0 108.186 172.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -76.54 143.33 40.43 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 172.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 96.1 t -140.15 136.93 37.86 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 N-CA-C 106.778 -1.564 . . . . 0.0 106.778 174.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.1 mt -74.85 148.43 40.22 Favored 'General case' 0 CA--C 1.509 -0.625 0 O-C-N 121.833 -0.542 . . . . 0.0 111.466 178.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -57.5 -35.12 71.11 Favored Glycine 0 CA--C 1.521 0.45 0 C-N-CA 124.088 0.851 . . . . 0.0 113.311 -176.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1530 ' ' LYS . . . . . 0.448 ' HD2' ' H ' ' A' 1530 ' ' LYS . 0.0 OUTLIER -60.82 -18.74 57.41 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 118.855 1.328 . . . . 0.0 112.638 173.881 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -106.46 22.81 15.21 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.543 1.537 . . . . 0.0 111.605 -176.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1532 ' ' ILE . . . . . 0.405 ' HB ' ' HG ' ' A' 1602 ' ' LEU . 1.1 mt -133.64 137.65 52.34 Favored 'Isoleucine or valine' 0 C--N 1.346 0.426 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 70.6 mt -119.55 114.75 22.73 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 127.478 2.311 . . . . 0.0 104.777 -175.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1534 ' ' LEU . . . . . 0.554 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -108.51 -3.5 18.05 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 116.713 2.116 . . . . 0.0 116.713 -168.939 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 24.3 p -133.79 54.46 1.95 Allowed 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 106.02 -1.845 . . . . 0.0 106.02 -177.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 53.9 t0 -116.89 62.44 2.82 Favored Pre-proline 0 CA--C 1.538 0.514 0 N-CA-C 117.197 2.295 . . . . 0.0 117.197 -168.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -72.66 121.84 7.72 Favored 'Trans proline' 0 CA--C 1.545 1.028 1 N-CA-C 100.798 -4.347 . . . . 0.0 100.798 165.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1538 ' ' ILE . . . . . 0.493 HG21 HG11 ' A' 1544 ' ' VAL . 4.9 mm -60.01 122.39 65.74 Favored Pre-proline 0 CA--C 1.539 0.546 0 CA-C-N 119.298 0.954 . . . . 0.0 108.682 -168.005 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -62.14 144.97 96.48 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 121.869 1.713 . . . . 0.0 110.709 178.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1540 ' ' LEU . . . . . 0.421 ' H ' HD12 ' A' 1540 ' ' LEU . 4.0 mp -58.62 148.85 27.49 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 169.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 21.4 t70 73.02 -4.57 2.14 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.49 1.916 . . . . 0.0 113.507 -176.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 23.5 m -68.29 136.3 53.26 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 169.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -84.49 135.16 34.35 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 172.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1544 ' ' VAL . . . . . 0.493 HG11 HG21 ' A' 1538 ' ' ILE . 2.4 m -147.61 163.09 6.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 124.469 1.108 . . . . 0.0 109.17 -171.055 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 6.3 m -88.66 142.82 27.37 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 105.81 -1.922 . . . . 0.0 105.81 169.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -116.56 142.51 46.79 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 125.726 1.61 . . . . 0.0 107.052 176.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.1 112.23 9.07 Favored 'General case' 0 CA--C 1.514 -0.406 0 C-N-CA 123.992 0.917 . . . . 0.0 109.197 -169.554 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 19.5 m -65.5 140.92 58.62 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 104.847 -2.279 . . . . 0.0 104.847 168.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -60.14 16.51 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 117.818 2.525 . . . . 0.0 117.818 -168.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 38.0 t70 -131.94 -41.57 1.02 Allowed 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 117.354 -1.307 . . . . 0.0 112.747 175.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -172.0 -32.71 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 120.363 1.438 . . . . 0.0 114.299 172.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -53.93 120.09 5.89 Favored 'General case' 0 C--N 1.341 0.217 0 C-N-CA 124.108 0.963 . . . . 0.0 111.017 -168.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 3.2 t80 -118.03 132.31 56.39 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 125.353 1.461 . . . . 0.0 110.681 -168.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 2.7 p -152.45 177.81 10.21 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.05 1.34 . . . . 0.0 109.419 171.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -133.67 156.77 47.32 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 121.013 -1.054 . . . . 0.0 111.22 171.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -169.31 -161.64 20.06 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 126.427 1.965 . . . . 0.0 108.975 -172.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.4 t -129.94 142.83 42.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 CA-C-N 118.864 1.332 . . . . 0.0 109.618 -174.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 76.4 t -65.53 123.81 19.21 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 173.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 79.1 mttt -131.84 31.7 4.18 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 119.328 0.967 . . . . 0.0 111.55 171.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 166.44 177.34 38.33 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.328 -0.709 . . . . 0.0 111.328 169.009 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 7.3 m80 -141.1 155.41 46.13 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 126.436 1.895 . . . . 0.0 110.492 -174.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -150.34 160.81 43.46 Favored 'General case' 0 N--CA 1.46 0.057 0 C-N-CA 125.243 1.417 . . . . 0.0 107.542 170.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -130.57 125.53 34.43 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 106.2 -1.778 . . . . 0.0 106.2 169.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -151.18 140.35 21.21 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 -173.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 31.0 m 50.64 29.52 4.2 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.377 1.071 . . . . 0.0 113.42 179.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 66.51 34.33 87.37 Favored Glycine 0 CA--C 1.532 1.094 0 CA-C-O 119.336 -0.702 . . . . 0.0 112.282 -177.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -140.25 150.86 44.62 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 106.981 -1.488 . . . . 0.0 106.981 178.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 45.7 tp -96.3 134.17 39.76 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 124.483 1.113 . . . . 0.0 108.863 -171.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -125.94 155.73 40.87 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 125.066 1.346 . . . . 0.0 109.488 -173.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1570 ' ' TYR . . . . . 0.427 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 64.8 m-85 -138.45 127.54 24.12 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 106.087 -1.82 . . . . 0.0 106.087 -174.44 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.5 p -87.17 94.29 9.61 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 105.671 -1.974 . . . . 0.0 105.671 169.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 42.7 mm -76.58 127.96 37.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 106.425 -1.694 . . . . 0.0 106.425 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -83.32 124.29 30.47 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 104.237 -2.505 . . . . 0.0 104.237 168.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -144.78 136.97 26.11 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 105.239 -2.134 . . . . 0.0 105.239 -176.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 53.34 28.39 7.32 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.673 0.789 . . . . 0.0 112.292 -174.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 77.74 15.57 81.12 Favored Glycine 0 CA--C 1.531 1.065 0 CA-C-O 119.21 -0.772 . . . . 0.0 113.73 175.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -140.84 153.88 45.96 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 118.415 1.108 . . . . 0.0 109.239 177.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 68.2 mtm180 -88.28 145.81 25.66 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 119.144 0.884 . . . . 0.0 110.526 -176.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.7 tmtt? -143.63 132.37 22.56 Favored 'General case' 0 N--CA 1.46 0.068 0 N-CA-C 105.926 -1.879 . . . . 0.0 105.926 -175.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 89.9 m95 -80.82 131.24 35.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 118.779 0.718 . . . . 0.0 110.23 178.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -133.27 164.21 27.59 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.377 1.471 . . . . 0.0 107.103 169.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -110.94 165.39 11.9 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.039 0.935 . . . . 0.0 110.252 -176.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 24.8 ttp180 -43.92 -54.97 4.9 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 117.441 -1.266 . . . . 0.0 114.057 -177.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 2.0 ppp? -67.99 -20.33 65.02 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 120.773 1.624 . . . . 0.0 112.995 -178.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -89.35 -5.19 57.7 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.27 1.428 . . . . 0.0 111.116 176.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 67.8 t -118.77 92.92 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 N-CA-C 105.786 -1.931 . . . . 0.0 105.786 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1587 ' ' ILE . . . . . 0.412 HD11 ' CD2' ' B' ' 369' ' ' LEU . 9.6 pt -114.23 162.61 12.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -170.108 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 3.9 mt -111.57 118.62 36.21 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -173.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.22 142.58 42.48 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 105.885 -1.895 . . . . 0.0 105.885 169.168 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 3.0 pp -55.01 -34.97 63.9 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.87 1.214 . . . . 0.0 112.975 -169.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -64.5 -36.87 85.58 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 123.166 0.586 . . . . 0.0 110.751 179.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -69.56 -49.83 50.55 Favored 'General case' 0 C--O 1.223 -0.332 0 C-N-CA 124.462 1.105 . . . . 0.0 108.111 175.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -60.8 -28.29 68.04 Favored Glycine 0 C--N 1.338 0.651 0 C-N-CA 124.157 0.884 . . . . 0.0 112.296 -176.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -57.32 -42.49 81.97 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 118.35 1.075 . . . . 0.0 111.139 174.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -59.3 -24.73 63.54 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 118.248 0.476 . . . . 0.0 111.731 179.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 7.9 mp -93.94 -26.85 16.67 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.101 0.96 . . . . 0.0 110.834 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -56.71 -39.09 73.26 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 119.601 1.091 . . . . 0.0 111.403 -176.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -59.57 -20.19 53.94 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-O 118.027 -0.987 . . . . 0.0 113.289 179.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -114.55 -48.49 2.86 Favored 'General case' 0 C--N 1.346 0.425 0 CA-C-N 119.95 1.25 . . . . 0.0 112.137 177.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 9.2 m-30 -91.74 -9.57 43.22 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 124.137 0.975 . . . . 0.0 112.285 -170.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -57.82 129.15 49.11 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 125.549 1.547 . . . . 0.0 110.606 -179.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1602 ' ' LEU . . . . . 0.554 HD22 HD23 ' A' 1534 ' ' LEU . 0.7 OUTLIER -68.05 -51.19 49.59 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 118.356 1.078 . . . . 0.0 109.088 175.769 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.203 0 CA-C-N 113.558 -1.656 . . . . 0.0 109.967 -169.065 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 363' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 . . . . . 0 N--CA 1.495 1.789 0 N-CA-C 111.323 0.12 . . . . 0.0 111.323 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -62.39 -26.29 68.4 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 -171.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 365' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -145.19 174.2 11.28 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 124.657 1.183 . . . . 0.0 109.478 -179.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 366' ' ' SER . . . . . . . . . . . . . 11.5 m -55.73 168.96 0.37 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.132 1.773 . . . . 0.0 111.836 169.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 16.2 m -67.84 28.19 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 127.579 2.351 . . . . 0.0 114.627 -177.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 368' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -53.32 153.65 3.78 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 122.624 1.202 . . . . 0.0 111.804 -173.29 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 369' ' ' LEU . . . . . 0.412 ' CD2' HD11 ' A' 1587 ' ' ILE . 15.2 tp -41.58 135.17 2.21 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 127.457 2.303 . . . . 0.0 112.454 177.207 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 370' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.413 0 N-CA-C 105.175 -2.158 . . . . 0.0 105.175 169.625 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 371' ' ' SER . . . . . . . . . . . . . 3.7 p -60.73 -35.57 76.69 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 125.229 1.412 . . . . 0.0 112.794 -169.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 372' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt 47.57 -146.18 0.26 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.37 1.068 . . . . 0.0 109.143 -172.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 373' ' ' LYS . . . . . . . . . . . . . 59.3 mtmt -56.96 -27.0 60.84 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 119.16 0.891 . . . . 0.0 113.1 -174.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 374' ' ' GLY . . . . . . . . . . . . . . . 167.46 168.47 29.66 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 173.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -131.65 23.56 4.69 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.997 1.319 . . . . 0.0 110.438 -178.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 4.6 m -62.27 -23.1 66.51 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.599 1.16 . . . . 0.0 113.082 -177.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 15.9 m . . . . . 0 C--O 1.251 1.142 0 C-N-CA 125.893 1.677 . . . . 0.0 106.704 -176.843 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.663 0 CA-C-O 121.282 0.379 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 12.5 t60 -145.07 94.08 2.48 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 124.632 1.173 . . . . 0.0 108.008 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 26.8 ptm -154.65 168.88 25.3 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.311 1.444 . . . . 0.0 108.806 178.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 58.6 t30 -147.11 163.51 36.08 Favored 'General case' 0 C--O 1.233 0.193 0 C-N-CA 125.111 1.364 . . . . 0.0 108.369 176.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 48.8 m -49.81 107.7 0.17 Allowed 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 125.38 1.472 . . . . 0.0 110.214 177.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 94.1 m-85 64.27 -63.03 0.16 Allowed 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 127.6 2.36 . . . . 0.0 113.722 179.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 4.0 t -57.22 111.94 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 C-N-CA 125.933 1.693 . . . . 0.0 109.032 -175.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 116.19 -21.11 12.25 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 125.302 1.43 . . . . 0.0 112.935 178.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 9.4 mp -74.85 138.64 42.64 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 118.879 1.34 . . . . 0.0 110.628 -173.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -78.53 127.61 32.39 Favored 'General case' 0 N--CA 1.461 0.121 0 N-CA-C 106.272 -1.751 . . . . 0.0 106.272 168.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 17.5 m -146.74 -175.43 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 125.591 1.556 . . . . 0.0 107.564 -174.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 15.0 t -119.56 151.12 21.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 104.463 -2.421 . . . . 0.0 104.463 169.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -146.69 151.94 38.03 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 -171.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 77.4 tttt -83.75 133.27 34.79 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 106.507 -1.664 . . . . 0.0 106.507 176.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 26.2 t-105 -80.49 88.8 5.62 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 104.386 -2.45 . . . . 0.0 104.386 168.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 14.5 m -57.2 -27.6 62.12 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.149 0.98 . . . . 0.0 112.531 -171.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 10.0 m -69.72 -7.24 37.63 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-O 117.891 -1.052 . . . . 0.0 113.416 -179.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 36.0 t30 -148.47 -37.38 0.18 Allowed 'General case' 0 C--N 1.35 0.587 0 N-CA-C 115.274 1.583 . . . . 0.0 115.274 169.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . 149.93 -38.03 0.93 Allowed Glycine 0 C--N 1.348 1.221 0 N-CA-C 118.082 1.993 . . . . 0.0 118.082 169.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 4.7 m-30 -81.48 166.5 20.28 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.791 1.795 . . . . 0.0 111.27 -169.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -110.71 112.9 25.1 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 106.786 -1.561 . . . . 0.0 106.786 -170.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -113.09 151.49 30.72 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 -173.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 2.7 m -67.48 151.53 47.22 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 124.178 0.991 . . . . 0.0 110.396 177.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -171.37 -177.33 41.06 Favored Glycine 0 C--N 1.333 0.386 0 O-C-N 121.47 -0.769 . . . . 0.0 112.552 178.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 36.2 mtmt -131.96 129.06 39.7 Favored 'General case' 0 CA--C 1.517 -0.312 0 C-N-CA 126.234 1.813 . . . . 0.0 106.253 -174.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 15.7 mt -73.02 130.68 35.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 -177.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 72.9 p -105.39 -36.25 7.24 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 123.153 0.581 . . . . 0.0 110.362 -170.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -168.02 142.26 3.46 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 124.209 1.004 . . . . 0.0 111.044 175.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 6.1 t70 -69.51 102.93 1.92 Allowed 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.144 1.377 . . . . 0.0 107.374 168.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.4 t -64.5 -51.0 73.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 -176.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 145.96 165.06 11.22 Favored Glycine 0 C--N 1.339 0.696 0 N-CA-C 109.697 -1.361 . . . . 0.0 109.697 178.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 60.07 6.42 0.96 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.146 1.378 . . . . 0.0 114.706 178.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 105.72 -7.35 42.02 Favored Glycine 0 C--N 1.337 0.629 0 C-N-CA 124.788 1.185 . . . . 0.0 110.982 -173.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -74.68 138.84 43.09 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-N 120.515 2.158 . . . . 0.0 108.155 169.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -127.78 136.87 52.08 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 105.051 -2.203 . . . . 0.0 105.051 169.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -83.96 138.71 33.0 Favored 'General case' 0 CA--C 1.51 -0.575 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 176.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.1 mm? -124.52 119.07 28.05 Favored 'General case' 0 CA--C 1.508 -0.651 0 C-N-CA 124.862 1.265 . . . . 0.0 108.401 -169.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 28.8 tp -83.54 93.45 7.84 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 103.68 -2.711 . . . . 0.0 103.68 168.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -54.65 147.39 14.61 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 172.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -61.98 -20.77 64.22 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.115 0.566 . . . . 0.0 110.8 -178.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.5 -20.07 64.24 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 128.025 2.53 . . . . 0.0 111.124 173.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 102.22 2.14 51.18 Favored Glycine 0 CA--C 1.538 1.517 0 C-N-CA 126.305 1.907 . . . . 0.0 113.525 -178.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -89.87 159.94 16.71 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 125.211 1.404 . . . . 0.0 109.227 -175.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -141.85 117.95 10.66 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 -174.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 62.0 m -143.88 161.03 39.73 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 125.202 1.401 . . . . 0.0 108.024 177.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -78.85 145.42 34.24 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 170.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 80.5 t -141.9 140.48 30.15 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.242 0 N-CA-C 106.722 -1.584 . . . . 0.0 106.722 174.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 5.6 mt -77.41 149.17 35.17 Favored 'General case' 0 CA--C 1.512 -0.514 0 O-C-N 121.972 -0.455 . . . . 0.0 111.617 177.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -54.73 -39.36 67.04 Favored Glycine 0 C--N 1.335 0.524 0 C-N-CA 124.743 1.164 . . . . 0.0 112.426 -175.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.01 -31.47 63.11 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-N 117.974 0.887 . . . . 0.0 111.743 177.131 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -98.54 23.81 8.16 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.676 1.59 . . . . 0.0 112.996 -173.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -127.38 132.59 69.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 N-CA-C 105.717 -1.957 . . . . 0.0 105.717 178.309 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 55.1 mt -113.15 106.34 14.53 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 127.688 2.395 . . . . 0.0 104.833 -172.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1534 ' ' LEU . . . . . 0.567 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -103.12 -2.74 26.89 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 116.223 1.934 . . . . 0.0 116.223 -169.176 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 20.8 p -133.41 54.54 1.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 105.899 -1.889 . . . . 0.0 105.899 -176.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 52.0 t0 -120.4 61.22 8.22 Favored Pre-proline 0 CA--C 1.538 0.506 0 N-CA-C 116.626 2.084 . . . . 0.0 116.626 -167.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -71.92 122.75 8.75 Favored 'Trans proline' 0 CA--C 1.545 1.026 1 N-CA-C 100.367 -4.513 . . . . 0.0 100.367 165.429 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1538 ' ' ILE . . . . . 0.432 HG21 HG11 ' A' 1544 ' ' VAL . 5.2 mm -60.06 120.76 53.55 Favored Pre-proline 0 CA--C 1.541 0.608 0 CA-C-N 119.779 1.172 . . . . 0.0 109.358 -167.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -61.9 144.66 96.83 Favored 'Trans proline' 0 N--CA 1.453 -0.903 0 C-N-CA 122.052 1.835 . . . . 0.0 110.486 178.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1540 ' ' LEU . . . . . 0.493 ' H ' HD12 ' A' 1540 ' ' LEU . 4.2 mp -60.18 147.69 38.93 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 169.522 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 23.9 t70 75.69 -5.83 2.1 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 127.554 2.342 . . . . 0.0 113.694 -174.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 22.4 m -68.86 133.04 47.71 Favored 'General case' 0 C--O 1.238 0.494 0 O-C-N 120.971 -1.081 . . . . 0.0 108.333 171.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -75.69 136.21 40.38 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 169.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1544 ' ' VAL . . . . . 0.432 HG11 HG21 ' A' 1538 ' ' ILE . 2.4 m -146.2 159.62 11.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 C-N-CA 124.489 1.115 . . . . 0.0 109.328 -175.194 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 3.5 m -89.42 128.18 35.91 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 105.117 -2.179 . . . . 0.0 105.117 169.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -94.13 140.74 29.37 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 171.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.43 99.17 3.77 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.67 0.788 . . . . 0.0 110.049 -170.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 6.1 m -62.39 121.22 12.67 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 103.886 -2.635 . . . . 0.0 103.886 169.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -44.6 -26.45 0.37 Allowed 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 127.115 2.166 . . . . 0.0 116.658 -167.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 26.9 t70 -70.21 -44.82 67.85 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 119.466 1.03 . . . . 0.0 111.973 177.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 175.38 -26.54 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.692 1.597 . . . . 0.0 113.975 176.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -53.79 120.5 6.35 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 118.97 0.805 . . . . 0.0 111.153 -169.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 1.8 t80 -115.52 133.3 56.16 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 125.005 1.322 . . . . 0.0 110.375 -168.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 6.1 p -152.41 177.1 10.96 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 125.67 1.588 . . . . 0.0 109.141 171.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -134.42 156.13 49.09 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 119.415 1.007 . . . . 0.0 110.536 169.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -171.46 -160.63 20.44 Favored Glycine 0 CA--C 1.525 0.669 0 C-N-CA 126.277 1.894 . . . . 0.0 108.552 -171.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 4.5 t -131.9 141.74 44.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-N 118.561 1.18 . . . . 0.0 109.623 -173.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 73.9 t -65.04 125.25 21.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 171.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 81.7 mttt -131.16 20.67 4.87 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 119.451 1.023 . . . . 0.0 111.544 169.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 178.98 179.17 48.64 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.568 -0.613 . . . . 0.0 111.568 170.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 8.5 m80 -141.64 153.95 45.06 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 126.731 2.013 . . . . 0.0 110.778 -172.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -148.18 159.4 43.99 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 170.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 14.4 mmtp -127.06 127.6 44.96 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 106.031 -1.84 . . . . 0.0 106.031 169.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -149.92 138.34 20.62 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 -175.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 24.4 m 50.64 30.74 5.11 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.397 1.079 . . . . 0.0 113.001 -177.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 64.95 34.76 90.74 Favored Glycine 0 CA--C 1.532 1.1 0 C-N-CA 123.692 0.663 . . . . 0.0 112.192 -177.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -139.94 153.61 46.98 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 125.005 1.322 . . . . 0.0 107.892 -176.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 30.0 tp -96.92 133.4 41.61 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 124.248 1.019 . . . . 0.0 112.285 -169.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -128.21 158.56 37.76 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 125.937 1.695 . . . . 0.0 109.916 -176.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -141.04 131.8 25.77 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 -174.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.1 p -89.67 100.82 13.54 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 105.022 -2.214 . . . . 0.0 105.022 169.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 39.1 mm -80.43 126.99 39.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 106.604 -1.628 . . . . 0.0 106.604 177.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -87.19 126.12 34.6 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 104.795 -2.298 . . . . 0.0 104.795 168.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -145.51 134.79 22.94 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 105.241 -2.133 . . . . 0.0 105.241 -173.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 51.55 33.14 9.99 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.305 0.957 . . . . 0.0 112.6 -176.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 71.66 19.5 77.98 Favored Glycine 0 CA--C 1.532 1.116 0 CA-C-O 119.114 -0.826 . . . . 0.0 113.765 176.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -141.61 164.55 29.92 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.921 1.289 . . . . 0.0 108.325 177.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -112.41 142.77 44.55 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 119.577 1.08 . . . . 0.0 111.007 -169.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -143.21 132.28 23.03 Favored 'General case' 0 N--CA 1.461 0.075 0 N-CA-C 106.85 -1.537 . . . . 0.0 106.85 -171.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 88.1 m95 -81.06 130.16 34.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 118.63 0.65 . . . . 0.0 109.95 177.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -133.32 166.73 21.82 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.058 1.343 . . . . 0.0 107.497 169.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -115.43 167.6 10.73 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.999 1.32 . . . . 0.0 110.3 -178.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 23.5 ttp-105 -42.96 -56.39 3.32 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 119.966 1.257 . . . . 0.0 113.516 -172.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 1.9 ppp? -73.44 -12.26 60.74 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 120.71 1.595 . . . . 0.0 113.899 -175.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -92.36 -3.01 55.98 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.928 1.691 . . . . 0.0 110.936 169.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 58.2 t -120.98 89.82 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.586 0 N-CA-C 106.166 -1.79 . . . . 0.0 106.166 175.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 8.6 pt -108.15 166.04 4.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 -173.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 6.0 mt -111.41 120.07 40.94 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 -173.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 1.2 m -58.76 149.0 27.58 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 107.307 -1.368 . . . . 0.0 107.307 169.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.0 pp -53.13 -41.83 65.43 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 -168.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -66.13 -33.11 75.03 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.117 0.484 . . . . 0.0 109.811 -177.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -77.51 -47.78 18.69 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 -178.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -52.32 -37.04 47.12 Favored Glycine 0 C--N 1.34 0.771 0 CA-C-N 118.541 0.609 . . . . 0.0 112.054 173.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -58.48 -45.46 88.63 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 117.863 0.832 . . . . 0.0 111.743 176.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -64.05 -18.19 64.1 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 123.001 0.52 . . . . 0.0 112.09 -178.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.3 mp -94.29 -29.58 14.98 Favored 'General case' 0 C--N 1.341 0.205 0 C-N-CA 124.17 0.988 . . . . 0.0 110.386 173.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -56.22 -39.0 71.82 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 124.873 1.269 . . . . 0.0 111.955 -175.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -59.55 -20.34 54.95 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 118.183 -0.913 . . . . 0.0 113.46 178.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -114.42 -47.73 2.91 Favored 'General case' 0 C--N 1.345 0.396 0 CA-C-N 120.091 1.314 . . . . 0.0 111.822 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.6 m-30 -91.68 -10.03 41.71 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 124.587 1.155 . . . . 0.0 112.507 -170.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -51.7 129.95 34.61 Favored Glycine 0 CA--C 1.529 0.962 0 C-N-CA 125.597 1.57 . . . . 0.0 110.442 175.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1602 ' ' LEU . . . . . 0.567 HD22 HD23 ' A' 1534 ' ' LEU . 1.2 mt -64.76 -42.53 95.06 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 118.098 0.949 . . . . 0.0 109.473 173.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.227 0 N-CA-C 109.093 -1.603 . . . . 0.0 109.093 -173.977 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 363' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 . . . . . 0 N--CA 1.493 1.679 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -118.98 -31.6 4.7 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.79 0.836 . . . . 0.0 111.546 172.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 365' ' ' HIS . . . . . . . . . . . . . 39.8 t60 -156.41 166.38 33.58 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 126.258 1.823 . . . . 0.0 107.249 177.038 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 366' ' ' SER . . . . . . . . . . . . . 64.8 m -74.45 -174.47 2.05 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 118.342 0.519 . . . . 0.0 111.212 170.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 6.9 m -58.47 -28.08 65.01 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.608 1.163 . . . . 0.0 113.083 179.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 368' ' ' HIS . . . . . . . . . . . . . 10.4 t60 47.38 -105.01 0.12 Allowed 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 126.043 1.737 . . . . 0.0 110.25 -173.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 369' ' ' LEU . . . . . 0.652 ' HG ' ' H ' ' B' ' 371' ' ' SER . 14.8 tp -157.81 145.95 18.9 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 124.508 1.123 . . . . 0.0 108.235 -171.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 370' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.531 0 C-N-CA 126.386 1.874 . . . . 0.0 110.434 172.515 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 371' ' ' SER . . . . . 0.652 ' H ' ' HG ' ' B' ' 369' ' ' LEU 0.351 3.1 p 45.19 23.31 0.1 Allowed 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 129.79 3.236 . . . . 0.0 114.618 -169.686 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 372' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -142.26 -63.59 0.43 Allowed 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 104.531 -2.396 . . . . 0.0 104.531 169.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 373' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -74.31 143.05 45.12 Favored 'General case' 0 C--N 1.34 0.191 0 N-CA-C 105.946 -1.872 . . . . 0.0 105.946 168.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 374' ' ' GLY . . . . . . . . . . . . . . . 116.07 -62.85 0.36 Allowed Glycine 0 CA--C 1.519 0.306 0 N-CA-C 109.202 -1.559 . . . . 0.0 109.202 176.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 15.5 pm0 -72.59 -23.0 60.89 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 118.077 0.938 . . . . 0.0 111.611 171.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 25.2 m -142.61 176.3 9.14 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.44 1.896 . . . . 0.0 108.343 177.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 16.1 m . . . . . 0 C--O 1.253 1.265 0 N-CA-C 106.835 -1.543 . . . . 0.0 106.835 175.489 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.732 0 CA-C-O 121.23 0.35 . . . . 0.0 112.413 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -150.2 154.24 37.64 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 125.135 1.374 . . . . 0.0 108.793 179.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 76.8 mtm -144.75 -48.18 0.25 Allowed 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 124.209 1.004 . . . . 0.0 110.254 176.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -156.07 154.78 31.51 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 125.331 1.453 . . . . 0.0 107.498 178.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 45.2 m -49.88 -47.87 51.67 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.792 1.237 . . . . 0.0 113.297 176.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -151.84 -50.4 0.11 Allowed 'General case' 0 C--O 1.223 -0.292 0 C-N-CA 123.078 0.551 . . . . 0.0 110.823 -170.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 6.0 t -61.8 116.74 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 C-N-CA 125.558 1.543 . . . . 0.0 108.738 -172.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 110.29 -19.85 26.46 Favored Glycine 0 CA--C 1.53 0.983 0 C-N-CA 124.863 1.22 . . . . 0.0 112.749 179.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 10.0 mp -74.89 138.8 42.68 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 118.863 1.331 . . . . 0.0 110.594 -173.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 71.0 mtm180 -76.79 125.4 29.21 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 106.124 -1.806 . . . . 0.0 106.124 168.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 18.4 m -145.7 -170.29 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 C-N-CA 125.773 1.629 . . . . 0.0 107.85 -174.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 5.3 t -126.54 149.01 31.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 105.524 -2.028 . . . . 0.0 105.524 170.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -146.27 150.73 36.34 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 124.474 1.11 . . . . 0.0 108.56 -169.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 74.4 tttt -83.08 128.21 34.27 Favored 'General case' 0 CA--C 1.508 -0.641 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 178.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 42.1 t-105 -68.53 125.81 27.66 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 169.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 1.4 m -56.76 -24.26 48.8 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 116.79 2.144 . . . . 0.0 116.79 -168.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 7.6 m -80.41 51.34 1.42 Allowed 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 120.312 1.415 . . . . 0.0 111.174 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 66.7 t30 43.97 45.46 6.55 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 127.142 2.177 . . . . 0.0 112.758 -171.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -91.17 -174.27 43.67 Favored Glycine 0 C--N 1.338 0.657 0 CA-C-O 122.177 0.876 . . . . 0.0 113.1 -174.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 14.3 m-30 -72.04 169.3 16.27 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 125.375 1.47 . . . . 0.0 110.582 169.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -85.18 109.99 18.69 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 107.078 -1.453 . . . . 0.0 107.078 172.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -101.52 149.13 24.4 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 124.539 1.136 . . . . 0.0 108.385 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 7.1 m -71.88 147.55 46.99 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 122.979 0.512 . . . . 0.0 110.257 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -171.26 -176.83 40.64 Favored Glycine 0 CA--C 1.522 0.521 0 CA-C-O 121.663 0.591 . . . . 0.0 112.17 -174.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 39.4 mtmt -131.54 128.11 38.6 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 106.265 -1.754 . . . . 0.0 106.265 -171.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 14.2 mt -72.02 134.78 29.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 -179.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 49.4 p -109.24 -36.05 6.13 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 122.865 0.466 . . . . 0.0 110.8 -172.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -167.78 142.86 3.77 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.953 0.901 . . . . 0.0 111.103 175.206 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 5.9 t0 -70.4 102.35 2.16 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 124.859 1.263 . . . . 0.0 107.672 168.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.5 t -64.0 -50.73 75.93 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 N-CA-C 108.995 -0.742 . . . . 0.0 108.995 -175.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 146.45 163.96 10.7 Favored Glycine 0 C--N 1.337 0.616 0 N-CA-C 109.78 -1.328 . . . . 0.0 109.78 179.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 60.08 5.79 0.84 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.265 1.426 . . . . 0.0 114.677 178.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 105.76 -6.75 41.29 Favored Glycine 0 C--N 1.34 0.754 0 C-N-CA 124.91 1.243 . . . . 0.0 111.254 -173.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -74.85 139.07 42.94 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 120.482 2.141 . . . . 0.0 107.945 169.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -127.91 137.14 52.19 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 105.149 -2.167 . . . . 0.0 105.149 169.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -83.7 137.87 33.57 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 176.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 2.9 mm? -124.98 118.18 25.67 Favored 'General case' 0 CA--C 1.511 -0.54 0 C-N-CA 124.916 1.286 . . . . 0.0 108.669 -169.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 46.5 tp -83.74 94.56 8.18 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 104.402 -2.444 . . . . 0.0 104.402 169.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -58.89 154.15 15.77 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 173.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -68.85 -21.89 64.25 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.862 -0.524 . . . . 0.0 112.037 -173.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 34.9 p-10 -76.34 0.88 17.87 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.747 1.219 . . . . 0.0 112.438 170.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 94.94 -0.91 64.85 Favored Glycine 0 CA--C 1.53 1.026 0 C-N-CA 125.803 1.668 . . . . 0.0 113.818 169.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -75.47 156.64 35.03 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.04 0.92 . . . . 0.0 109.128 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -141.06 118.08 11.2 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 -178.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 97.7 m -142.56 164.28 30.54 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 125.228 1.411 . . . . 0.0 107.906 173.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -80.6 143.08 33.44 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 170.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 79.2 t -140.33 139.67 35.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 106.666 -1.605 . . . . 0.0 106.666 176.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 5.8 mt -76.22 150.74 37.02 Favored 'General case' 0 C--O 1.22 -0.451 0 C-N-CA 123.376 0.67 . . . . 0.0 112.012 179.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -55.72 -38.11 71.39 Favored Glycine 0 C--N 1.334 0.46 0 C-N-CA 124.559 1.076 . . . . 0.0 112.954 -177.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -26.08 64.33 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 118.275 1.037 . . . . 0.0 112.454 176.016 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -97.86 18.36 16.02 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.267 1.427 . . . . 0.0 112.542 -174.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -128.95 136.03 60.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 N-CA-C 106.469 -1.678 . . . . 0.0 106.469 -178.007 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 67.7 mt -117.12 114.32 23.54 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 104.284 -2.488 . . . . 0.0 104.284 -173.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1534 ' ' LEU . . . . . 0.556 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -111.88 -2.87 15.05 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 116.27 1.952 . . . . 0.0 116.27 -169.524 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 24.4 p -130.29 56.21 1.77 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 104.423 -2.436 . . . . 0.0 104.423 179.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -98.96 15.75 0.05 OUTLIER Pre-proline 0 CA--C 1.542 0.639 0 N-CA-C 121.034 3.716 . . . . 0.0 121.034 -167.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -55.12 117.45 4.04 Favored 'Trans proline' 0 C--N 1.354 0.858 0 CA-C-N 125.177 2.885 . . . . 0.0 106.311 169.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 4.7 mm -60.94 125.19 82.91 Favored Pre-proline 0 CA--C 1.54 0.561 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 -168.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -62.76 142.11 87.77 Favored 'Trans proline' 0 N--CA 1.456 -0.726 0 C-N-CA 121.918 1.745 . . . . 0.0 110.121 173.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1540 ' ' LEU . . . . . 0.476 ' H ' HD12 ' A' 1540 ' ' LEU . 3.9 mp -57.7 148.44 24.65 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 169.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 23.1 t70 75.57 -6.07 2.05 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.98 2.112 . . . . 0.0 113.436 -176.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 23.0 m -68.96 138.48 54.61 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 169.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -82.86 140.1 33.09 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 107.143 -1.428 . . . . 0.0 107.143 172.195 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 1.7 m -147.24 160.38 8.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 C-N-CA 124.289 1.036 . . . . 0.0 108.739 -174.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 3.6 m -89.23 130.86 35.57 Favored 'General case' 0 N--CA 1.441 -0.891 0 N-CA-C 105.251 -2.129 . . . . 0.0 105.251 169.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -96.21 140.42 30.92 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 107.436 -1.32 . . . . 0.0 107.436 170.045 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.39 99.75 4.05 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 -171.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 11.9 m -60.15 121.7 12.57 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 103.968 -2.604 . . . . 0.0 103.968 168.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -45.38 -32.37 2.05 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 125.669 1.587 . . . . 0.0 114.975 -168.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 38.8 t70 -67.9 -39.59 83.57 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 117.722 -1.132 . . . . 0.0 113.019 -179.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 173.58 -30.38 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.444 1.498 . . . . 0.0 114.757 173.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -54.82 128.86 34.94 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 123.89 0.876 . . . . 0.0 112.035 -168.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 2.7 t80 -124.25 127.35 47.55 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 124.897 1.279 . . . . 0.0 111.703 -168.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 4.0 p -151.75 177.49 10.34 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.154 1.382 . . . . 0.0 109.291 169.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -132.27 156.24 46.87 Favored 'General case' 0 CA--C 1.532 0.275 0 O-C-N 120.621 -1.299 . . . . 0.0 110.995 173.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.42 -163.09 23.87 Favored Glycine 0 CA--C 1.525 0.694 0 C-N-CA 126.508 2.004 . . . . 0.0 108.892 -170.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 4.0 t -130.54 142.52 43.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-N 119.127 1.464 . . . . 0.0 109.71 -171.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 85.9 t -66.54 126.17 25.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 173.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 87.3 mttt -133.21 21.07 4.04 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.878 0.871 . . . . 0.0 111.422 169.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -178.41 173.64 46.01 Favored Glycine 0 C--N 1.34 0.755 0 O-C-N 121.337 -0.852 . . . . 0.0 112.04 169.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 13.1 m80 -138.85 152.95 48.25 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 126.525 1.93 . . . . 0.0 110.166 -175.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 33.5 ttt85 -146.39 156.15 43.11 Favored 'General case' 0 C--O 1.231 0.09 0 N-CA-C 106.886 -1.524 . . . . 0.0 106.886 169.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 11.4 mmtp -127.18 134.27 50.18 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 106.176 -1.786 . . . . 0.0 106.176 170.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -148.39 124.42 10.7 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 107.505 -1.295 . . . . 0.0 107.505 -177.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 19.2 m 49.08 37.05 9.83 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.835 1.254 . . . . 0.0 114.182 173.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 76.77 23.38 69.82 Favored Glycine 0 CA--C 1.534 1.222 0 CA-C-O 119.524 -0.598 . . . . 0.0 112.867 178.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -129.6 153.89 47.62 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 125.522 1.529 . . . . 0.0 107.015 178.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 49.6 tp -114.14 136.97 52.36 Favored 'General case' 0 CA--C 1.518 -0.283 0 C-N-CA 124.073 0.949 . . . . 0.0 109.631 -168.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -130.35 157.17 43.28 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 125.743 1.617 . . . . 0.0 109.431 -172.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -141.38 132.76 26.7 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 -174.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 14.9 t -82.57 106.95 14.84 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 102.202 -3.259 . . . . 0.0 102.202 168.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 25.8 mm -88.9 123.59 41.25 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 N-CA-C 105.418 -2.067 . . . . 0.0 105.418 171.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -84.4 118.31 24.17 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 104.047 -2.575 . . . . 0.0 104.047 168.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -144.45 135.11 24.79 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 105.405 -2.072 . . . . 0.0 105.405 -169.512 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 50.83 34.18 9.82 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 119.269 0.94 . . . . 0.0 112.066 -170.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 69.69 20.27 75.63 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 119.048 -0.862 . . . . 0.0 113.932 176.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -142.19 157.27 45.05 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 118.598 1.199 . . . . 0.0 108.98 178.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -98.11 132.36 43.71 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.635 0.774 . . . . 0.0 109.227 -169.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -140.83 128.88 22.04 Favored 'General case' 0 N--CA 1.457 -0.078 0 N-CA-C 106.758 -1.571 . . . . 0.0 106.758 -169.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 92.8 m95 -81.19 124.56 29.38 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 177.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -126.24 162.56 25.17 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 169.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -107.82 167.09 10.22 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.648 1.179 . . . . 0.0 110.591 -176.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -49.38 -44.17 44.73 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 119.905 1.229 . . . . 0.0 113.638 -176.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -72.99 -18.33 61.37 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 121.518 1.963 . . . . 0.0 113.934 178.325 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -95.27 -4.3 45.9 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 126.75 2.02 . . . . 0.0 110.825 176.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 87.7 t -120.21 90.39 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 N-CA-C 104.269 -2.493 . . . . 0.0 104.269 179.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 11.7 pt -110.91 159.17 11.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 106.566 -1.642 . . . . 0.0 106.566 -171.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 3.3 mt -103.44 114.24 28.37 Favored 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 -174.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.11 145.69 12.86 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 169.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.4 pp -53.71 -37.75 63.59 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 114.182 1.178 . . . . 0.0 114.182 -168.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 31.2 tp10 -66.78 -37.65 85.0 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 121.647 -0.658 . . . . 0.0 110.146 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -71.51 -49.25 42.82 Favored 'General case' 0 C--O 1.224 -0.246 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 -178.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -63.03 -28.37 71.97 Favored Glycine 0 C--N 1.34 0.765 0 CA-C-O 119.178 -0.79 . . . . 0.0 111.99 -178.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -59.84 -43.19 94.73 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 118.832 1.316 . . . . 0.0 111.615 173.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 20.3 mtt-85 -63.56 -16.92 62.15 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.546 0.572 . . . . 0.0 112.546 177.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 9.0 mp -93.99 -29.69 15.1 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 124.288 1.035 . . . . 0.0 110.708 171.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 67.5 ttp85 -57.58 -38.86 75.55 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.578 1.151 . . . . 0.0 111.642 -175.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -58.32 -21.6 49.99 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 118.144 -0.931 . . . . 0.0 113.15 178.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -115.16 -45.98 2.92 Favored 'General case' 0 C--N 1.346 0.43 0 CA-C-N 119.905 1.23 . . . . 0.0 112.243 178.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 9.2 m-30 -92.55 -8.68 43.73 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 124.482 1.113 . . . . 0.0 112.777 -169.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -53.14 131.34 41.59 Favored Glycine 0 CA--C 1.527 0.827 0 C-N-CA 125.791 1.662 . . . . 0.0 110.881 175.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1602 ' ' LEU . . . . . 0.556 HD22 HD23 ' A' 1534 ' ' LEU . 0.8 OUTLIER -66.07 -41.92 90.08 Favored 'General case' 0 C--N 1.342 0.244 0 CA-C-N 118.497 1.148 . . . . 0.0 109.288 173.496 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.094 0 CA-C-O 117.325 -1.82 . . . . 0.0 111.35 -173.736 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 363' ' ' ARG . . . . . . . . . . . . . 35.3 ptt180 . . . . . 0 N--CA 1.493 1.675 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -130.05 136.92 49.91 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 106.035 -1.839 . . . . 0.0 106.035 169.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 365' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -73.42 172.02 12.03 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 123.423 0.689 . . . . 0.0 110.936 -176.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 366' ' ' SER . . . . . . . . . . . . . 8.3 m -59.85 178.69 0.16 Allowed 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.914 1.686 . . . . 0.0 111.897 169.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 14.7 m -69.83 57.47 0.14 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 127.069 2.147 . . . . 0.0 113.491 -176.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 368' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -54.66 152.15 7.3 Favored 'General case' 0 C--O 1.238 0.483 0 O-C-N 121.049 -1.032 . . . . 0.0 111.154 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 3.2 tp -53.3 141.74 23.24 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 113.913 -1.494 . . . . 0.0 108.489 169.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 370' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.37 0 C-N-CA 124.253 1.021 . . . . 0.0 111.186 178.732 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 371' ' ' SER . . . . . . . . . . . . 0.259 3.5 p 43.77 39.64 2.64 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 128.174 2.59 . . . . 0.0 113.296 177.598 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 372' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -64.85 162.2 16.74 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 124.043 0.937 . . . . 0.0 110.436 -179.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 373' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -57.03 -29.35 63.3 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 175.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 374' ' ' GLY . . . . . . . . . . . . . . . -75.3 -31.82 56.55 Favored Glycine 0 CA--C 1.533 1.211 0 CA-C-O 119.643 -0.532 . . . . 0.0 112.606 178.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -79.56 -31.93 42.01 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 117.925 0.863 . . . . 0.0 110.507 175.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 35.0 m -64.9 159.96 21.59 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.145 0.978 . . . . 0.0 111.339 175.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 6.6 m . . . . . 0 C--O 1.255 1.363 0 C-N-CA 124.173 0.989 . . . . 0.0 109.218 172.405 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.735 0 N-CA-C 112.144 -0.382 . . . . 0.0 112.144 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -68.72 169.15 11.79 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 122.001 -0.705 . . . . 0.0 111.08 176.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 38.6 mmt -61.62 167.18 3.65 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.47 1.108 . . . . 0.0 111.194 171.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 43.5 t30 -137.84 159.11 42.87 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 125.673 1.589 . . . . 0.0 109.045 -178.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 16.6 m -62.51 94.28 0.06 Allowed 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.715 1.206 . . . . 0.0 110.119 175.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 89.5 m-85 67.76 -65.29 0.25 Allowed 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 128.015 2.526 . . . . 0.0 113.596 171.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 5.2 t -57.51 113.29 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 C-N-CA 125.457 1.503 . . . . 0.0 108.656 -174.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 117.83 -23.36 9.47 Favored Glycine 0 CA--C 1.533 1.194 0 C-N-CA 125.671 1.605 . . . . 0.0 112.536 178.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 8.8 mp -75.24 139.61 42.68 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 118.904 1.352 . . . . 0.0 111.329 -172.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 49.8 mtp180 -79.52 127.03 31.64 Favored 'General case' 0 CA--C 1.529 0.148 0 N-CA-C 105.166 -2.161 . . . . 0.0 105.166 167.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 18.5 m -143.44 -178.29 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 C-N-CA 125.778 1.631 . . . . 0.0 107.181 -174.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 5.0 t -115.52 143.67 24.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 104.945 -2.243 . . . . 0.0 104.945 169.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -146.47 153.15 40.1 Favored 'General case' 0 CA--C 1.516 -0.328 0 C-N-CA 123.815 0.846 . . . . 0.0 108.935 -169.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 84.1 tttt -80.74 133.84 35.73 Favored 'General case' 0 CA--C 1.509 -0.601 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 178.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 13.6 t-105 -76.47 101.52 5.64 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 105.258 -2.127 . . . . 0.0 105.258 169.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.71 -33.35 66.4 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.7 1.6 . . . . 0.0 113.765 -169.698 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 6.6 m -76.26 -5.92 49.11 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 -173.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 10.5 t30 -148.59 -47.83 0.15 Allowed 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.926 1.239 . . . . 0.0 112.588 173.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . 133.3 178.28 15.47 Favored Glycine 0 CA--C 1.527 0.838 0 C-N-CA 124.1 0.857 . . . . 0.0 111.34 -171.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 3.5 m-30 72.0 151.32 0.11 Allowed 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 129.195 2.998 . . . . 0.0 110.633 -172.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -111.51 119.77 39.88 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 -169.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -116.39 154.09 30.88 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 125.029 1.331 . . . . 0.0 108.549 -172.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 5.3 m -65.17 144.19 57.37 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 123.055 0.542 . . . . 0.0 110.742 173.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -169.29 178.97 42.18 Favored Glycine 0 N--CA 1.451 -0.344 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 178.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -125.34 128.36 48.08 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 125.67 1.588 . . . . 0.0 106.729 -173.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 20.4 mt -73.03 128.94 36.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 106.762 -1.57 . . . . 0.0 106.762 -178.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 69.5 p -104.6 -36.11 7.6 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 123.027 0.531 . . . . 0.0 110.178 -170.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -167.33 141.67 3.76 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.987 0.915 . . . . 0.0 111.535 176.599 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 7.2 t0 -70.06 103.68 2.35 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 125.06 1.344 . . . . 0.0 107.601 168.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.6 t -65.63 -50.47 71.36 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 C-N-CA 123.631 0.772 . . . . 0.0 109.311 -176.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 149.2 162.94 10.66 Favored Glycine 0 C--N 1.337 0.639 0 N-CA-C 109.65 -1.38 . . . . 0.0 109.65 177.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.61 11.2 0.82 Allowed 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 115.11 1.522 . . . . 0.0 115.11 177.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 102.32 -4.94 51.83 Favored Glycine 0 CA--C 1.524 0.632 0 C-N-CA 124.891 1.234 . . . . 0.0 111.545 -176.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 11.5 mtpp -75.44 133.99 40.98 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 120.606 2.203 . . . . 0.0 106.49 169.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -124.98 138.76 54.22 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 105.659 -1.978 . . . . 0.0 105.659 169.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -84.37 138.35 32.91 Favored 'General case' 0 CA--C 1.512 -0.506 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 176.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.2 mm? -125.65 118.47 25.73 Favored 'General case' 0 CA--C 1.512 -0.494 0 C-N-CA 125.018 1.327 . . . . 0.0 108.945 -169.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 41.1 tp -84.1 93.62 8.16 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 105.108 -2.182 . . . . 0.0 105.108 169.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -57.52 151.3 17.07 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 123.065 0.546 . . . . 0.0 109.567 174.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -69.32 -19.77 63.87 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.555 -171.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 38.1 p30 -80.49 2.49 25.08 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.026 1.331 . . . . 0.0 112.493 170.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 102.02 -3.79 52.13 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 125.502 1.525 . . . . 0.0 114.59 169.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -82.07 158.6 23.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 118.641 1.22 . . . . 0.0 110.476 -174.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -141.04 117.71 10.96 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 -176.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 99.5 m -144.68 167.97 21.3 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 126.257 1.823 . . . . 0.0 107.952 174.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -97.86 144.17 27.72 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 123.779 0.832 . . . . 0.0 109.931 177.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 86.1 t -144.41 136.16 21.76 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.367 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -170.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.9 mt -72.99 151.59 41.72 Favored 'General case' 0 CA--C 1.511 -0.53 0 C-N-CA 122.941 0.497 . . . . 0.0 111.528 178.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -56.67 -33.58 63.1 Favored Glycine 0 CA--C 1.526 0.752 0 C-N-CA 124.013 0.816 . . . . 0.0 112.896 178.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.16 -12.97 14.53 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.746 0.819 . . . . 0.0 112.781 174.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -120.77 22.61 11.08 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 126.233 1.813 . . . . 0.0 110.595 -173.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -133.1 137.7 53.04 Favored 'Isoleucine or valine' 0 C--N 1.346 0.427 0 N-CA-C 106.86 -1.533 . . . . 0.0 106.86 179.125 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 72.6 mt -119.25 114.09 21.87 Favored 'General case' 0 CA--C 1.52 -0.207 0 N-CA-C 104.481 -2.414 . . . . 0.0 104.481 -176.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1534 ' ' LEU . . . . . 0.574 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -109.06 -3.73 17.17 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 116.586 2.069 . . . . 0.0 116.586 -168.754 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 17.2 p -132.21 49.06 2.35 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 106.793 -1.558 . . . . 0.0 106.793 -177.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 50.7 t0 -115.76 65.14 2.43 Favored Pre-proline 0 C--O 1.238 0.462 0 N-CA-C 116.351 1.982 . . . . 0.0 116.351 -168.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -73.37 123.41 8.68 Favored 'Trans proline' 0 CA--C 1.544 0.981 1 N-CA-C 100.073 -4.626 . . . . 0.0 100.073 165.314 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1538 ' ' ILE . . . . . 0.564 HG21 HG11 ' A' 1544 ' ' VAL . 5.2 mm -59.54 121.0 53.84 Favored Pre-proline 0 CA--C 1.541 0.597 0 CA-C-N 119.506 1.048 . . . . 0.0 109.307 -167.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -62.35 145.93 95.81 Favored 'Trans proline' 0 N--CA 1.451 -0.978 0 C-N-CA 121.776 1.651 . . . . 0.0 110.461 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1540 ' ' LEU . . . . . 0.461 ' H ' HD12 ' A' 1540 ' ' LEU . 4.2 mp -60.52 148.45 37.81 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 169.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 25.3 t70 73.28 -4.83 2.1 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 127.16 2.184 . . . . 0.0 113.712 -175.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 25.0 m -68.72 132.53 46.99 Favored 'General case' 0 C--O 1.238 0.483 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 172.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -75.87 136.91 40.14 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 106.985 -1.487 . . . . 0.0 106.985 169.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1544 ' ' VAL . . . . . 0.564 HG11 HG21 ' A' 1538 ' ' ILE . 2.6 m -148.55 162.54 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 C-N-CA 124.559 1.144 . . . . 0.0 109.695 -174.591 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 3.5 m -89.13 130.19 35.61 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 105.821 -1.918 . . . . 0.0 105.821 169.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -97.07 138.64 34.28 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 171.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1547 ' ' LEU . . . . . 0.471 ' CD2' HD22 ' B' ' 369' ' ' LEU . 0.1 OUTLIER -138.4 99.29 3.8 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 123.55 0.74 . . . . 0.0 110.567 -169.828 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 18.4 m -61.93 122.93 16.67 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 104.258 -2.497 . . . . 0.0 104.258 169.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -51.63 -23.24 4.09 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 116.19 1.922 . . . . 0.0 116.19 -168.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 35.5 t70 -65.77 -53.41 40.79 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 119.259 0.936 . . . . 0.0 110.901 174.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -178.8 -20.67 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 169.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -53.2 126.37 20.7 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 119.93 1.241 . . . . 0.0 111.551 -169.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 11.2 t80 -122.45 128.52 50.98 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 124.339 1.056 . . . . 0.0 111.393 -168.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 2.6 p -151.63 176.92 10.88 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.956 1.302 . . . . 0.0 109.208 169.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -131.18 153.6 49.26 Favored 'General case' 0 CA--C 1.529 0.172 0 O-C-N 121.194 -0.941 . . . . 0.0 110.484 170.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -168.49 -159.65 14.6 Favored Glycine 0 CA--C 1.525 0.678 0 C-N-CA 126.414 1.959 . . . . 0.0 108.38 -169.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.3 t -132.67 142.02 43.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 CA-C-N 118.831 1.315 . . . . 0.0 110.109 -173.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 63.8 t -65.54 128.37 28.26 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.145 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 171.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 81.4 mttt -130.68 16.51 5.32 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.256 0.935 . . . . 0.0 111.941 169.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 179.77 179.74 48.79 Favored Glycine 0 C--N 1.335 0.513 0 O-C-N 121.458 -0.776 . . . . 0.0 111.942 172.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 9.0 m80 -141.97 155.65 45.45 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 126.378 1.871 . . . . 0.0 110.948 -173.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 56.9 ttt180 -150.62 160.93 43.47 Favored 'General case' 0 CA--C 1.526 0.035 0 C-N-CA 125.673 1.589 . . . . 0.0 107.595 170.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 11.3 mmtp -128.61 125.88 39.08 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 105.9 -1.889 . . . . 0.0 105.9 169.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -151.46 139.26 19.84 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 -175.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 30.8 m 50.46 29.62 4.08 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.597 1.159 . . . . 0.0 113.712 177.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 67.89 33.75 80.51 Favored Glycine 0 CA--C 1.533 1.158 0 O-C-N 121.45 -0.781 . . . . 0.0 112.346 -178.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -138.01 153.04 49.42 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 106.607 -1.627 . . . . 0.0 106.607 176.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 37.8 tp -96.89 132.01 43.07 Favored 'General case' 0 N--CA 1.444 -0.771 0 C-N-CA 125.474 1.51 . . . . 0.0 108.365 -174.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -124.27 155.76 38.07 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 125.234 1.414 . . . . 0.0 108.903 -173.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1570 ' ' TYR . . . . . 0.447 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 62.3 m-85 -140.13 127.43 21.23 Favored 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 106.119 -1.808 . . . . 0.0 106.119 -173.675 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.1 p -85.2 96.77 9.59 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 104.688 -2.338 . . . . 0.0 104.688 169.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 40.9 mm -77.41 133.55 30.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 105.865 -1.902 . . . . 0.0 105.865 176.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -96.45 129.34 43.83 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 105.227 -2.138 . . . . 0.0 105.227 168.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 25.4 ttpt -144.7 141.17 29.1 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 105.642 -1.984 . . . . 0.0 105.642 178.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 52.45 25.31 3.46 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 119.466 1.03 . . . . 0.0 113.106 -177.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 71.2 22.79 78.53 Favored Glycine 0 CA--C 1.531 1.091 0 O-C-N 121.436 -0.79 . . . . 0.0 113.142 -179.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -129.33 147.39 51.16 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 173.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 82.3 mtm-85 -98.71 136.16 39.17 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 -178.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -140.14 130.43 25.21 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 106.342 -1.725 . . . . 0.0 106.342 -169.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 88.5 m95 -80.49 130.72 35.32 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 178.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -132.74 161.57 33.68 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.869 1.268 . . . . 0.0 107.756 169.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -105.57 165.85 10.86 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.918 1.287 . . . . 0.0 109.736 -177.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 46.0 ttt180 -49.89 -49.33 50.01 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-N 120.327 1.422 . . . . 0.0 112.896 -173.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 3.1 ppp? -70.29 -14.86 62.78 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 120.414 1.461 . . . . 0.0 114.135 -179.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -93.79 -2.86 53.05 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 126.227 1.811 . . . . 0.0 110.825 172.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 60.7 t -119.79 91.38 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.621 0 N-CA-C 105.796 -1.928 . . . . 0.0 105.796 177.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 8.2 pt -112.84 168.13 5.53 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 -172.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 5.1 mt -121.07 124.5 44.94 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 -171.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 5.0 m -61.38 148.12 42.61 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 106.507 -1.664 . . . . 0.0 106.507 169.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.7 pp -55.79 -37.61 68.81 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.467 -0.771 . . . . 0.0 112.702 -169.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -77.41 -23.52 50.62 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 121.633 -0.667 . . . . 0.0 110.745 -175.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -71.65 -49.29 41.25 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 107.159 -1.423 . . . . 0.0 107.159 170.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -63.22 -29.25 73.89 Favored Glycine 0 C--N 1.339 0.744 0 C-N-CA 123.789 0.709 . . . . 0.0 112.681 -177.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -58.03 -41.44 83.18 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 118.691 1.245 . . . . 0.0 111.39 175.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -58.61 -26.15 63.38 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 118.952 0.796 . . . . 0.0 112.022 177.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 7.5 mp -91.43 -28.32 17.72 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 124.405 1.082 . . . . 0.0 110.535 178.014 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -56.6 -41.35 76.86 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.954 1.302 . . . . 0.0 110.488 -175.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -59.47 -18.29 38.53 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.939 1.088 . . . . 0.0 113.939 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -115.16 -48.61 2.81 Favored 'General case' 0 C--N 1.345 0.412 0 CA-C-N 120.272 1.396 . . . . 0.0 112.177 176.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -92.39 -10.94 36.3 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 124.593 1.157 . . . . 0.0 112.176 -170.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -54.17 131.07 45.05 Favored Glycine 0 CA--C 1.522 0.491 0 C-N-CA 125.444 1.497 . . . . 0.0 110.105 177.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1602 ' ' LEU . . . . . 0.574 HD22 HD23 ' A' 1534 ' ' LEU . 0.4 OUTLIER -64.77 -45.49 86.13 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 171.139 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.476 0 N-CA-C 108.068 -2.013 . . . . 0.0 108.068 177.096 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 363' ' ' ARG . . . . . . . . . . . . . 25.7 tpt180 . . . . . 0 N--CA 1.496 1.85 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -69.0 -36.53 77.92 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 121.739 -0.6 . . . . 0.0 112.016 -171.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 365' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -157.79 174.55 15.12 Favored 'General case' 0 C--O 1.238 0.486 0 C-N-CA 125.324 1.449 . . . . 0.0 107.878 -178.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 366' ' ' SER . . . . . . . . . . . . . 14.0 m -60.58 174.86 0.52 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.767 1.227 . . . . 0.0 110.073 168.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 14.0 m -62.87 -19.89 64.59 Favored 'General case' 0 CA--C 1.541 0.596 0 O-C-N 121.085 -1.009 . . . . 0.0 113.49 -174.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 368' ' ' HIS . . . . . . . . . . . . . 26.0 t60 42.52 -108.47 0.11 Allowed 'General case' 0 C--N 1.343 0.307 0 C-N-CA 126.007 1.723 . . . . 0.0 109.88 -170.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 369' ' ' LEU . . . . . 0.516 ' HG ' ' H ' ' B' ' 371' ' ' SER . 20.3 tp -155.79 148.15 23.71 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 -170.338 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 370' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.376 0 C-N-CA 124.503 1.121 . . . . 0.0 111.047 170.116 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 371' ' ' SER . . . . . 0.516 ' H ' ' HG ' ' B' ' 369' ' ' LEU . 16.1 m 45.76 34.94 1.99 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 128.817 2.847 . . . . 0.0 113.792 177.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 372' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -75.43 161.28 29.36 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 123.797 0.839 . . . . 0.0 109.563 176.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 373' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -58.45 -32.16 68.45 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.538 0.735 . . . . 0.0 111.454 175.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 374' ' ' GLY . . . . . . . . . . . . . . . -59.02 -27.9 62.98 Favored Glycine 0 CA--C 1.535 1.281 0 CA-C-O 119.153 -0.804 . . . . 0.0 113.567 178.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -85.04 11.85 8.81 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 118.538 1.169 . . . . 0.0 111.874 176.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 13.9 m 56.41 31.22 18.37 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.266 1.426 . . . . 0.0 112.481 -173.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 8.8 m . . . . . 0 C--O 1.257 1.499 0 C-N-CA 124.488 1.115 . . . . 0.0 108.377 170.169 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.714 0 N-CA-C 112.004 -0.439 . . . . 0.0 112.004 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -150.98 -47.61 0.12 Allowed 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.505 0.722 . . . . 0.0 110.668 177.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 16.0 mmt -140.74 169.74 17.08 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 125.715 1.606 . . . . 0.0 109.017 177.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 49.8 t30 -143.45 160.78 39.95 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 125.57 1.548 . . . . 0.0 108.547 179.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 16.3 m -65.18 88.56 0.08 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.601 1.16 . . . . 0.0 110.591 176.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 93.4 m-85 68.68 -63.06 0.37 Allowed 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 128.101 2.561 . . . . 0.0 113.818 172.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 5.2 t -57.36 114.71 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 C-N-CA 125.272 1.429 . . . . 0.0 108.988 -175.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 113.86 -18.26 19.51 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 125.315 1.436 . . . . 0.0 112.845 178.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 10.1 mp -77.31 138.79 39.57 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 118.831 1.316 . . . . 0.0 110.792 -173.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 57.0 mtm180 -78.65 126.64 31.02 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 105.482 -2.044 . . . . 0.0 105.482 168.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 17.1 m -145.55 -176.74 0.64 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.397 0 C-N-CA 125.091 1.356 . . . . 0.0 107.465 -173.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 3.4 t -118.4 144.71 25.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 105.419 -2.067 . . . . 0.0 105.419 169.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -146.5 152.16 38.55 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.178 0.991 . . . . 0.0 109.142 -169.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 79.7 tttt -82.21 131.07 35.23 Favored 'General case' 0 CA--C 1.513 -0.453 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 178.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 26.5 t-105 -71.15 128.46 36.0 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 169.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 1.1 m -54.73 -27.19 38.95 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 116.838 2.162 . . . . 0.0 116.838 -168.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 5.6 m -80.43 51.61 1.47 Allowed 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 120.234 1.379 . . . . 0.0 111.294 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 66.5 t30 45.71 45.16 11.09 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.895 2.078 . . . . 0.0 113.212 -173.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -95.14 -175.29 37.72 Favored Glycine 0 C--N 1.338 0.691 0 CA-C-O 122.651 1.139 . . . . 0.0 113.31 -174.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1500 ' ' TYR . . . . . 0.441 ' CG ' ' HA ' ' A' 1589 ' ' SER . 13.4 m-30 -70.07 169.61 13.09 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 128.033 2.533 . . . . 0.0 110.597 169.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 2.8 m-30 -92.84 108.9 20.35 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.447 -1.686 . . . . 0.0 106.447 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -101.65 155.92 17.81 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.892 1.277 . . . . 0.0 107.729 -178.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 6.0 m -71.33 148.96 46.56 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 121.55 -0.719 . . . . 0.0 111.334 176.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -165.39 -179.45 39.19 Favored Glycine 0 C--N 1.333 0.397 0 N-CA-C 112.164 -0.375 . . . . 0.0 112.164 174.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.97 135.89 53.55 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 106.2 -1.778 . . . . 0.0 106.2 175.073 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 17.8 mt -72.87 132.08 33.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 175.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 72.6 p -107.46 -36.79 6.39 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 123.106 0.562 . . . . 0.0 110.637 -171.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -165.45 141.07 5.19 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 123.894 0.878 . . . . 0.0 111.265 175.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 7.0 t0 -69.36 103.91 2.12 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 125.014 1.326 . . . . 0.0 107.802 168.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.4 t -66.4 -50.28 68.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 -176.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 146.32 164.47 10.97 Favored Glycine 0 C--N 1.34 0.798 0 N-CA-C 109.714 -1.354 . . . . 0.0 109.714 178.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 59.1 7.15 0.79 Allowed 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 177.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 105.27 -6.86 42.95 Favored Glycine 0 C--N 1.338 0.646 0 C-N-CA 124.412 1.006 . . . . 0.0 111.205 -173.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 42.3 mtmt -75.69 136.69 40.37 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 120.468 2.134 . . . . 0.0 107.41 169.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -127.33 137.26 52.76 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 105.099 -2.186 . . . . 0.0 105.099 169.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -82.93 139.25 33.48 Favored 'General case' 0 CA--C 1.51 -0.565 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 176.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 2.9 mm? -125.12 119.85 29.76 Favored 'General case' 0 CA--C 1.51 -0.585 0 C-N-CA 124.961 1.304 . . . . 0.0 108.659 -169.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 32.1 tp -84.38 95.88 8.89 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 103.835 -2.654 . . . . 0.0 103.835 169.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -58.9 144.47 44.53 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 171.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -65.86 -19.16 65.78 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -170.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -79.33 -0.1 31.15 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.974 1.309 . . . . 0.0 113.649 173.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 108.99 -3.69 31.76 Favored Glycine 0 CA--C 1.531 1.064 0 C-N-CA 125.495 1.521 . . . . 0.0 114.2 169.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -85.65 157.74 20.26 Favored 'General case' 0 CA--C 1.528 0.106 0 CA-C-N 118.165 0.982 . . . . 0.0 110.112 -173.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -141.37 121.62 13.91 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 -178.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 57.4 m -147.86 167.81 23.82 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.501 1.521 . . . . 0.0 107.986 171.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -85.87 143.12 28.41 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 175.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 91.2 t -141.14 137.83 33.8 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 N-CA-C 107.613 -1.254 . . . . 0.0 107.613 -179.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 7.0 mt -77.55 152.65 33.93 Favored 'General case' 0 CA--C 1.512 -0.509 0 C-N-CA 123.31 0.644 . . . . 0.0 111.889 179.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -56.72 -37.13 75.18 Favored Glycine 0 CA--C 1.522 0.52 0 C-N-CA 123.918 0.771 . . . . 0.0 113.171 -178.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -8.0 18.12 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 175.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -116.22 22.29 13.0 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.658 1.583 . . . . 0.0 111.725 -179.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -133.82 139.43 48.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 179.357 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 72.7 mt -120.32 115.36 23.4 Favored 'General case' 0 CA--C 1.52 -0.196 0 N-CA-C 104.756 -2.313 . . . . 0.0 104.756 -177.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1534 ' ' LEU . . . . . 0.542 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -109.16 -3.14 17.53 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 116.633 2.086 . . . . 0.0 116.633 -168.891 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 23.9 p -135.63 50.07 2.13 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 106.195 -1.779 . . . . 0.0 106.195 -177.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 48.5 t0 -114.54 57.59 0.92 Allowed Pre-proline 0 CA--C 1.541 0.599 0 N-CA-C 115.81 1.781 . . . . 0.0 115.81 -168.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -68.1 121.57 8.58 Favored 'Trans proline' 0 CA--C 1.543 0.93 1 N-CA-C 100.626 -4.413 . . . . 0.0 100.626 166.347 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 5.0 mm -59.56 122.64 66.1 Favored Pre-proline 0 CA--C 1.54 0.558 0 CA-C-N 118.886 0.766 . . . . 0.0 109.091 -167.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -61.43 144.8 98.4 Favored 'Trans proline' 0 N--CA 1.452 -0.939 0 C-N-CA 121.801 1.667 . . . . 0.0 110.637 177.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1540 ' ' LEU . . . . . 0.478 ' H ' HD12 ' A' 1540 ' ' LEU . 3.9 mp -59.89 148.58 34.39 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 169.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 22.2 t70 74.91 -5.31 2.18 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.878 2.071 . . . . 0.0 113.638 -175.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 22.0 m -70.17 134.61 48.28 Favored 'General case' 0 C--O 1.238 0.455 0 O-C-N 120.87 -1.144 . . . . 0.0 108.199 170.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -76.15 138.3 40.63 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 170.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 1.2 m -147.61 160.06 8.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 124.768 1.227 . . . . 0.0 109.898 -175.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 3.1 m -89.34 131.02 35.62 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 105.505 -2.035 . . . . 0.0 105.505 169.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -97.22 140.4 31.76 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 171.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.31 98.76 3.68 Favored 'General case' 0 CA--C 1.519 -0.238 0 C-N-CA 123.697 0.799 . . . . 0.0 109.601 -170.198 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 11.1 m -61.47 121.94 13.95 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 105.094 -2.187 . . . . 0.0 105.094 169.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -45.77 -33.49 3.1 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 126.139 1.775 . . . . 0.0 114.954 -168.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 38.9 t70 -64.09 -47.46 79.98 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 118.268 -0.872 . . . . 0.0 111.316 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 177.68 -24.27 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.429 1.492 . . . . 0.0 114.879 170.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -53.71 127.57 26.19 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 119.337 0.972 . . . . 0.0 111.996 -168.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 9.3 t80 -120.94 127.95 52.3 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 124.922 1.289 . . . . 0.0 110.604 -168.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 1.6 p -152.27 177.38 10.62 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.543 1.537 . . . . 0.0 109.058 173.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -136.58 159.23 42.44 Favored 'General case' 0 N--CA 1.468 0.454 0 O-C-N 120.474 -1.391 . . . . 0.0 111.321 173.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -171.51 -159.02 16.74 Favored Glycine 0 CA--C 1.528 0.866 0 C-N-CA 126.075 1.797 . . . . 0.0 108.688 -172.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.2 t -131.59 143.27 40.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-N 118.577 1.189 . . . . 0.0 109.277 -175.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 84.6 t -65.44 126.12 23.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 N-CA-C 108.515 -0.921 . . . . 0.0 108.515 173.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 82.5 mttt -132.05 21.18 4.5 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 119.368 0.985 . . . . 0.0 112.098 170.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 179.2 176.97 47.35 Favored Glycine 0 C--N 1.336 0.576 0 O-C-N 121.519 -0.738 . . . . 0.0 111.432 169.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 9.8 m80 -141.81 154.32 45.12 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 126.669 1.988 . . . . 0.0 110.861 -172.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 54.6 ttt180 -149.97 159.42 44.4 Favored 'General case' 0 N--CA 1.461 0.098 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 170.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 11.1 mmtp -127.63 129.47 47.28 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 106.019 -1.845 . . . . 0.0 106.019 169.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -150.9 139.49 20.6 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 -177.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 27.2 m 50.2 31.83 5.49 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.461 1.105 . . . . 0.0 113.677 178.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 68.27 30.49 73.6 Favored Glycine 0 C--N 1.343 0.928 0 O-C-N 121.815 -0.553 . . . . 0.0 112.292 -178.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -138.84 153.61 48.37 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.953 1.301 . . . . 0.0 107.701 -177.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 33.0 tp -101.48 135.33 43.16 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.474 1.109 . . . . 0.0 109.781 -169.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -127.54 157.35 40.39 Favored 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 125.84 1.656 . . . . 0.0 109.139 -174.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -141.61 134.1 28.27 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 106.786 -1.561 . . . . 0.0 106.786 -174.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.44 97.71 11.02 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 104.565 -2.384 . . . . 0.0 104.565 169.569 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 36.5 mm -77.84 129.35 37.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 106.401 -1.703 . . . . 0.0 106.401 178.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -83.58 119.12 24.33 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 103.092 -2.929 . . . . 0.0 103.092 168.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 24.3 ttpt -141.68 135.69 30.13 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 105.011 -2.218 . . . . 0.0 105.011 -172.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 54.58 27.04 7.95 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 123.203 0.601 . . . . 0.0 111.841 -173.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 79.42 14.61 81.22 Favored Glycine 0 CA--C 1.533 1.161 0 CA-C-O 119.128 -0.818 . . . . 0.0 113.444 175.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -142.39 154.45 44.63 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 118.547 1.174 . . . . 0.0 109.594 179.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -81.0 141.27 34.58 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 121.341 -0.85 . . . . 0.0 109.207 -175.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -142.96 129.45 20.12 Favored 'General case' 0 C--O 1.226 -0.142 0 N-CA-C 106.046 -1.835 . . . . 0.0 106.046 -178.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 89.1 m95 -80.59 132.02 35.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 118.936 0.789 . . . . 0.0 109.95 178.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -134.57 166.6 22.53 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.332 1.453 . . . . 0.0 107.852 169.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -109.82 165.16 11.92 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.871 1.268 . . . . 0.0 109.875 -177.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 65.8 ttp85 -42.85 -55.53 3.65 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.642 1.177 . . . . 0.0 113.625 -178.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 2.1 ppp? -71.88 -15.11 62.11 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 120.217 1.371 . . . . 0.0 114.058 -178.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -92.08 -2.14 56.81 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 125.873 1.669 . . . . 0.0 110.9 171.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 89.7 t -120.95 90.15 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.757 0 N-CA-C 105.282 -2.118 . . . . 0.0 105.282 176.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 9.2 pt -107.92 163.61 5.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 -172.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 10.8 mt -115.39 118.82 34.3 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 106.789 -1.56 . . . . 0.0 106.789 -174.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1589 ' ' SER . . . . . 0.441 ' HA ' ' CG ' ' A' 1500 ' ' TYR . 3.4 m -55.96 148.52 17.14 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 169.184 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.3 pp -53.2 -38.32 62.75 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 -168.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 24.3 tp10 -70.29 -40.78 74.08 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 118.993 0.815 . . . . 0.0 109.823 179.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -58.73 -46.31 87.66 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 176.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -66.25 -35.2 90.03 Favored Glycine 0 CA--C 1.525 0.711 0 C-N-CA 123.55 0.595 . . . . 0.0 112.413 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -58.35 -35.53 72.07 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 118.67 1.235 . . . . 0.0 110.431 174.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 -58.76 -17.86 26.79 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 118.715 0.689 . . . . 0.0 112.603 178.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 1.7 mp -110.88 -18.07 13.18 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 124.501 1.12 . . . . 0.0 111.635 178.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -56.17 -38.87 71.5 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.086 0.954 . . . . 0.0 110.272 178.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -56.26 -23.31 35.44 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 117.749 -1.12 . . . . 0.0 113.681 178.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -115.69 -47.26 2.81 Favored 'General case' 0 C--N 1.349 0.548 0 CA-C-N 120.307 1.412 . . . . 0.0 112.484 177.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.0 m-30 -94.02 -7.76 41.8 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 124.348 1.059 . . . . 0.0 112.623 -169.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -54.04 129.97 43.21 Favored Glycine 0 N--CA 1.445 -0.751 0 N-CA-C 109.76 -1.336 . . . . 0.0 109.76 175.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1602 ' ' LEU . . . . . 0.542 HD22 HD23 ' A' 1534 ' ' LEU . 0.4 OUTLIER -63.97 -41.99 97.37 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 170.787 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.204 0 N-CA-C 108.655 -1.778 . . . . 0.0 108.655 178.565 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 363' ' ' ARG . . . . . . . . . . . . . 34.9 ttt-85 . . . . . 0 N--CA 1.495 1.792 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -66.27 151.21 47.53 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 169.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 365' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -72.08 -21.87 61.44 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 366' ' ' SER . . . . . . . . . . . . . 16.9 m 166.53 173.65 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.659 1 C-N-CA 132.132 4.173 . . . . 0.0 105.046 -171.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 15.0 m -61.52 -28.17 69.13 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 118.703 0.683 . . . . 0.0 112.471 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 368' ' ' HIS . . . . . . . . . . . . . 8.5 t60 42.22 -123.07 0.63 Allowed 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 125.611 1.564 . . . . 0.0 110.353 -173.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 4.4 tp -149.11 142.27 24.98 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 106.459 -1.682 . . . . 0.0 106.459 -174.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 370' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.355 0 N-CA-C 103.99 -2.596 . . . . 0.0 103.99 168.683 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 371' ' ' SER . . . . . . . . . . . . . 1.7 p -96.11 11.87 32.73 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.186 1.394 . . . . 0.0 112.016 -169.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 372' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -61.73 156.43 20.28 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 124.934 1.294 . . . . 0.0 112.245 -178.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 373' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -55.37 129.31 38.08 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 170.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 374' ' ' GLY . . . . . . . . . . . . . . . 113.06 -47.73 1.01 Allowed Glycine 0 CA--C 1.527 0.786 0 N-CA-C 109.378 -1.489 . . . . 0.0 109.378 -175.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 25.3 mm100 -76.23 -29.69 57.66 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 117.425 0.613 . . . . 0.0 109.71 169.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 31.9 m -134.12 165.8 24.24 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 126.167 1.787 . . . . 0.0 108.897 172.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 5.9 m . . . . . 0 C--O 1.252 1.21 0 C-N-CA 124.115 0.966 . . . . 0.0 109.13 174.41 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.763 0 CA-C-O 121.463 0.479 . . . . 0.0 112.303 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -150.0 149.99 31.16 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 124.944 1.298 . . . . 0.0 108.946 179.063 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 71.9 mtm -144.28 161.8 38.01 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.344 1.458 . . . . 0.0 108.449 175.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 42.9 t30 -147.19 160.46 42.43 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 125.041 1.336 . . . . 0.0 109.049 -174.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 20.0 m -62.1 92.51 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.316 1.446 . . . . 0.0 110.495 176.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 96.6 m-85 66.37 -61.88 0.29 Allowed 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 128.353 2.661 . . . . 0.0 113.99 174.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 21.4 t -58.21 112.28 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 C-N-CA 125.164 1.386 . . . . 0.0 109.307 -175.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 119.53 -24.32 8.11 Favored Glycine 0 CA--C 1.53 0.969 0 C-N-CA 125.1 1.333 . . . . 0.0 112.81 -179.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 10.2 mp -74.62 138.94 43.28 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 118.641 1.221 . . . . 0.0 110.751 -173.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -79.78 126.83 31.47 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 105.318 -2.104 . . . . 0.0 105.318 168.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 17.7 m -143.83 -171.46 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 C-N-CA 125.906 1.683 . . . . 0.0 107.905 -174.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1492 ' ' VAL . . . . . 0.408 HG12 ' HB3' ' A' 1501 ' ' PHE . 4.1 t -123.88 146.12 29.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 105.464 -2.05 . . . . 0.0 105.464 169.517 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -145.14 151.62 38.76 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 124.664 1.185 . . . . 0.0 108.7 -170.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 70.7 tttt -83.26 129.0 34.97 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -178.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1495 ' ' TRP . . . . . 0.534 ' CE3' HH12 ' B' ' 370' ' ' MLY . 19.6 t-105 -80.81 144.03 32.38 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 168.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 1.6 m -65.29 -177.2 0.37 Allowed 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.773 1.629 . . . . 0.0 113.392 -172.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 15.8 m 54.59 43.37 30.33 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.006 0.922 . . . . 0.0 111.008 -175.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 66.4 t30 49.99 48.66 21.6 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 126.601 1.96 . . . . 0.0 113.468 -177.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -83.13 179.01 52.93 Favored Glycine 0 CA--C 1.527 0.803 0 CA-C-O 122.103 0.835 . . . . 0.0 112.785 177.012 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 12.8 m-30 -76.6 169.66 17.86 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 125.943 1.697 . . . . 0.0 111.068 174.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1501 ' ' PHE . . . . . 0.408 ' HB3' HG12 ' A' 1492 ' ' VAL . 97.1 m-85 -85.69 111.16 19.84 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 174.327 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -101.2 149.04 24.4 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.93 1.292 . . . . 0.0 109.037 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 3.8 m -71.95 147.74 46.68 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.289 0.636 . . . . 0.0 109.998 178.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -174.2 -175.68 42.0 Favored Glycine 0 C--N 1.333 0.38 0 O-C-N 121.722 -0.612 . . . . 0.0 111.965 -175.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -128.7 129.93 46.46 Favored 'General case' 0 CA--C 1.511 -0.533 0 C-N-CA 126.082 1.753 . . . . 0.0 106.825 -172.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 11.9 mt -71.47 133.24 32.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 177.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 42.6 p -109.44 -30.28 8.02 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 123.433 0.693 . . . . 0.0 109.648 -173.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 18.3 ttt-85 -167.48 154.16 8.19 Favored 'General case' 0 CA--C 1.517 -0.311 0 C-N-CA 123.199 0.6 . . . . 0.0 112.016 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 9.9 t70 -84.11 109.71 17.91 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 102.094 -3.299 . . . . 0.0 102.094 166.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.8 t -69.12 -50.17 55.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 -178.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 155.63 160.45 9.97 Favored Glycine 0 C--N 1.339 0.748 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 175.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.46 11.24 0.8 Allowed 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 115.788 1.773 . . . . 0.0 115.788 173.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 110.12 -7.83 31.03 Favored Glycine 0 C--N 1.337 0.585 0 C-N-CA 124.68 1.133 . . . . 0.0 111.105 -177.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.57 140.73 44.61 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 119.974 1.887 . . . . 0.0 107.164 169.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -129.22 136.53 50.24 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 105.503 -2.036 . . . . 0.0 105.503 169.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 29.7 ttpt -83.77 137.17 33.86 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 175.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 2.8 mm? -124.35 118.53 26.94 Favored 'General case' 0 CA--C 1.512 -0.501 0 C-N-CA 124.812 1.245 . . . . 0.0 108.394 -169.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 36.4 tp -83.91 93.89 8.13 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 104.267 -2.494 . . . . 0.0 104.267 169.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -55.83 148.62 16.39 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 172.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -65.53 -17.98 64.97 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -169.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 32.2 p-10 -84.71 -0.08 52.33 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.597 1.559 . . . . 0.0 113.2 173.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 105.88 -2.48 38.6 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 125.12 1.343 . . . . 0.0 114.227 169.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -81.45 154.71 26.22 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.323 1.062 . . . . 0.0 109.64 -176.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -140.98 118.19 11.32 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 -175.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 60.0 m -144.41 161.45 38.98 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.09 1.356 . . . . 0.0 108.036 176.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -79.7 144.36 33.76 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 171.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 81.6 t -142.24 139.96 29.51 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.242 0 C-N-CA 124.684 1.194 . . . . 0.0 107.875 177.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 5.2 mt -77.66 149.78 34.65 Favored 'General case' 0 CA--C 1.513 -0.459 0 O-C-N 121.535 -0.728 . . . . 0.0 112.437 178.175 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -55.11 -37.09 62.68 Favored Glycine 0 C--N 1.332 0.321 0 C-N-CA 124.123 0.868 . . . . 0.0 113.826 -177.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.47 -22.29 64.94 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 118.874 1.337 . . . . 0.0 112.846 176.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -99.65 18.77 17.23 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.459 1.504 . . . . 0.0 111.964 -175.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 1.2 mt -128.51 136.74 59.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 N-CA-C 107.405 -1.332 . . . . 0.0 107.405 -178.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 65.4 mt -119.43 112.02 18.88 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 104.36 -2.459 . . . . 0.0 104.36 -173.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1534 ' ' LEU . . . . . 0.54 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -109.74 -3.3 16.84 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 116.799 2.148 . . . . 0.0 116.799 -169.086 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 24.7 p -128.84 56.21 1.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 104.828 -2.286 . . . . 0.0 104.828 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -98.22 16.71 0.05 OUTLIER Pre-proline 0 CA--C 1.544 0.721 0 N-CA-C 121.301 3.815 . . . . 0.0 121.301 -167.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -56.48 115.62 2.61 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 CA-C-N 125.256 2.913 . . . . 0.0 105.857 168.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 15.7 mm -60.85 123.31 74.38 Favored Pre-proline 0 CA--C 1.534 0.365 0 CA-C-O 118.491 -0.766 . . . . 0.0 109.679 -167.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -64.4 141.69 75.6 Favored 'Trans proline' 0 N--CA 1.454 -0.801 0 C-N-CA 121.764 1.643 . . . . 0.0 109.962 174.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1540 ' ' LEU . . . . . 0.424 ' H ' HD12 ' A' 1540 ' ' LEU . 4.8 mp -58.6 149.03 26.8 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 177.063 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 4.7 t70 77.0 -5.77 2.13 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 126.896 2.079 . . . . 0.0 113.435 -176.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 28.7 m -67.32 139.67 57.25 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 169.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -87.47 139.08 30.91 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 106.696 -1.594 . . . . 0.0 106.696 174.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 1.6 m -147.48 161.52 7.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 C-N-CA 124.499 1.12 . . . . 0.0 108.518 -170.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 8.5 m -89.59 140.48 29.51 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 105.987 -1.857 . . . . 0.0 105.987 169.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -113.37 141.17 47.37 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 106.738 -1.578 . . . . 0.0 106.738 174.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1547 ' ' LEU . . . . . 0.768 HD11 HD22 ' B' ' 369' ' ' LEU . 3.7 mt -138.7 108.04 6.13 Favored 'General case' 0 CA--C 1.513 -0.443 0 C-N-CA 124.283 1.033 . . . . 0.0 108.524 -174.48 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 2.4 m -65.97 156.48 33.49 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 106.281 -1.748 . . . . 0.0 106.281 168.299 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -67.09 14.13 0.05 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.896 1.678 . . . . 0.0 114.755 -169.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 22.8 t0 -143.12 54.06 1.36 Allowed 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.583 1.553 . . . . 0.0 109.724 178.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1551 ' ' GLU . . . . . . . . . . . . 0.276 7.5 pt-20 54.94 22.4 4.3 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 117.126 2.269 . . . . 0.0 117.126 174.01 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -76.64 77.63 3.3 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 169.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 8.6 t80 -66.03 131.07 45.34 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 125.387 1.475 . . . . 0.0 110.146 170.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 4.6 p -152.39 177.37 10.67 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.005 1.722 . . . . 0.0 108.551 169.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -139.8 155.7 47.13 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 120.434 1.47 . . . . 0.0 111.152 172.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.43 -162.24 22.41 Favored Glycine 0 CA--C 1.53 0.998 0 C-N-CA 126.22 1.867 . . . . 0.0 108.784 -172.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.3 t -129.69 143.54 40.79 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.364 0 CA-C-N 118.599 1.2 . . . . 0.0 109.207 -173.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 99.1 t -66.33 126.02 24.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 172.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -127.57 13.46 7.0 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 118.902 0.774 . . . . 0.0 111.122 170.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 178.91 -179.91 48.77 Favored Glycine 0 C--N 1.337 0.603 0 CA-C-N 118.762 0.71 . . . . 0.0 112.353 173.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 13.2 m80 -141.44 154.37 45.54 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 126.652 1.981 . . . . 0.0 110.621 -172.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 -150.41 162.09 41.23 Favored 'General case' 0 N--CA 1.461 0.081 0 C-N-CA 125.538 1.535 . . . . 0.0 107.521 169.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -130.2 125.1 34.11 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 106.465 -1.679 . . . . 0.0 106.465 169.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -150.99 140.51 21.56 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 -174.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 38.2 m 50.48 29.79 4.22 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 176.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 66.98 34.5 87.22 Favored Glycine 0 CA--C 1.532 1.155 0 CA-C-O 119.538 -0.59 . . . . 0.0 112.245 -178.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -139.59 149.15 43.48 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 105.84 -1.911 . . . . 0.0 105.84 176.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 52.1 tp -92.98 134.96 34.6 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 125.023 1.329 . . . . 0.0 107.523 -176.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -124.9 156.55 37.75 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 124.909 1.284 . . . . 0.0 108.784 -174.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -138.09 129.6 27.9 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 106.419 -1.697 . . . . 0.0 106.419 -176.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.2 p -85.49 96.66 9.68 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 104.82 -2.289 . . . . 0.0 104.82 169.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 40.8 mm -79.21 127.59 38.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 N-CA-C 106.315 -1.735 . . . . 0.0 106.315 178.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -84.26 120.91 26.79 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 103.64 -2.726 . . . . 0.0 103.64 168.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 24.1 ttpt -143.51 133.28 23.85 Favored 'General case' 0 CA--C 1.509 -0.601 0 N-CA-C 104.396 -2.446 . . . . 0.0 104.396 -170.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 56.73 24.29 8.86 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 118.511 0.596 . . . . 0.0 112.101 -175.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 77.95 17.94 77.68 Favored Glycine 0 C--N 1.345 1.074 0 O-C-N 121.397 -0.814 . . . . 0.0 113.003 176.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -141.62 161.24 38.42 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 125.113 1.365 . . . . 0.0 108.222 177.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -105.02 138.92 40.47 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 119.717 1.144 . . . . 0.0 110.069 -169.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -142.55 132.98 24.98 Favored 'General case' 0 CA--C 1.523 -0.093 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 -169.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 90.0 m95 -81.04 130.49 35.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 118.593 0.633 . . . . 0.0 109.811 177.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -132.19 159.6 38.52 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 169.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -100.78 164.61 11.77 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.575 1.15 . . . . 0.0 110.312 -176.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -50.22 -45.13 53.59 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.703 1.138 . . . . 0.0 113.095 -177.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -71.08 -23.45 62.12 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 121.215 1.825 . . . . 0.0 112.938 178.26 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -81.65 -15.39 54.73 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 118.569 -0.729 . . . . 0.0 111.027 175.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 84.6 t -111.68 91.95 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 N-CA-C 105.891 -1.892 . . . . 0.0 105.891 -174.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 9.8 pt -107.64 164.89 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 -175.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 3.9 mt -107.69 116.01 31.17 Favored 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 106.399 -1.704 . . . . 0.0 106.399 -178.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.62 148.89 8.87 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 107.246 -1.39 . . . . 0.0 107.246 169.462 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.6 pp -55.43 -35.8 65.81 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 119.424 1.011 . . . . 0.0 113.111 -168.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 30.8 tp10 -66.23 -39.67 89.74 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 121.654 -0.654 . . . . 0.0 110.515 178.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -66.37 -52.05 50.89 Favored 'General case' 0 C--O 1.226 -0.157 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 178.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -61.99 -28.63 70.74 Favored Glycine 0 C--N 1.339 0.735 0 CA-C-O 119.145 -0.808 . . . . 0.0 111.728 -175.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -60.45 -45.36 93.98 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 118.796 1.298 . . . . 0.0 111.486 174.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 22.4 mtt-85 -62.57 -17.83 60.85 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 122.916 0.486 . . . . 0.0 112.159 177.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 10.1 mp -93.68 -29.7 15.29 Favored 'General case' 0 C--O 1.224 -0.283 0 C-N-CA 123.787 0.835 . . . . 0.0 110.975 172.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 64.9 ttp85 -57.72 -38.19 74.86 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 119.935 1.243 . . . . 0.0 111.733 -174.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -57.64 -22.87 48.2 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 118.245 -0.884 . . . . 0.0 112.908 178.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -114.89 -45.68 2.96 Favored 'General case' 0 C--N 1.346 0.444 0 CA-C-N 119.538 1.063 . . . . 0.0 112.634 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 7.3 m-30 -92.71 -8.92 42.54 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 124.239 1.016 . . . . 0.0 112.328 -169.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -56.31 130.27 49.36 Favored Glycine 0 CA--C 1.526 0.745 0 C-N-CA 125.233 1.397 . . . . 0.0 110.805 179.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1602 ' ' LEU . . . . . 0.54 HD22 HD23 ' A' 1534 ' ' LEU . 0.7 OUTLIER -65.79 -48.55 71.39 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 118.367 1.083 . . . . 0.0 108.851 174.083 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.312 0 CA-C-O 117.603 -1.665 . . . . 0.0 111.074 -169.547 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 363' ' ' ARG . . . . . . . . . . . . . 25.0 tpt180 . . . . . 0 N--CA 1.499 1.991 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -60.57 -28.08 68.2 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.774 1.23 . . . . 0.0 113.194 -176.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 365' ' ' HIS . . . . . . . . . . . . . 27.0 t60 -141.29 160.54 39.9 Favored 'General case' 0 C--N 1.341 0.22 0 C-N-CA 124.879 1.271 . . . . 0.0 107.998 172.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 366' ' ' SER . . . . . 0.408 ' C ' ' H ' ' B' ' 368' ' ' HIS . 3.5 m -73.4 38.21 0.09 Allowed 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 127.773 2.429 . . . . 0.0 114.187 -170.199 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 8.8 m 68.2 -24.55 0.13 Allowed 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 127.285 2.234 . . . . 0.0 114.218 -173.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 368' ' ' HIS . . . . . 0.45 ' CD2' HD13 ' A' 1547 ' ' LEU . 8.4 t60 53.75 -72.5 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 129.577 3.151 . . . . 0.0 112.673 -169.451 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 369' ' ' LEU . . . . . 0.768 HD22 HD11 ' A' 1547 ' ' LEU . 29.4 tp -165.61 -61.58 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 119.866 1.212 . . . . 0.0 112.415 -170.007 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 370' ' ' MLY . . . . . 0.534 HH12 ' CE3' ' A' 1495 ' ' TRP . . . . . . . . 0 N--CA 1.482 1.17 0 C-N-CA 125.256 1.422 . . . . 0.0 112.122 -171.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 371' ' ' SER . . . . . 0.52 ' H ' ' HG ' ' B' ' 369' ' ' LEU 0.302 0.3 OUTLIER 45.72 29.29 0.66 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 130.819 3.648 . . . . 0.0 113.792 -177.363 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild full ' B' B ' 372' ' ' LYS . . . . . . . . . . . . . 11.6 tppt? -150.17 -38.54 0.14 Allowed 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 114.133 1.16 . . . . 0.0 114.133 -179.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 373' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -65.52 124.8 23.27 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 120.619 1.554 . . . . 0.0 107.048 174.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 374' ' ' GLY . . . . . . . . . . . . . . . 68.92 15.61 69.45 Favored Glycine 0 CA--C 1.536 1.376 0 CA-C-O 119.263 -0.743 . . . . 0.0 113.062 -174.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -145.73 46.63 1.27 Allowed 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.501 1.92 . . . . 0.0 107.196 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 5.8 m -54.05 -36.63 63.29 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.096 1.358 . . . . 0.0 112.777 -169.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 18.1 m . . . . . 0 C--O 1.253 1.246 0 N-CA-C 106.455 -1.683 . . . . 0.0 106.455 -179.394 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.88 0 CA-C-O 121.242 0.356 . . . . 0.0 112.269 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -150.5 172.42 15.49 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 125.362 1.465 . . . . 0.0 108.897 178.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 14.4 mmt -139.21 167.13 22.75 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.607 1.563 . . . . 0.0 110.109 -177.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 58.8 t30 -150.12 166.27 30.31 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 126.794 2.038 . . . . 0.0 107.052 -179.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 39.7 m -52.3 -53.11 48.38 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 123.574 0.749 . . . . 0.0 112.384 -172.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -152.13 -54.08 0.13 Allowed 'General case' 0 C--O 1.224 -0.258 0 C-N-CA 123.358 0.663 . . . . 0.0 110.143 -176.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 17.7 t -59.81 115.93 1.43 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 C-N-CA 124.264 1.026 . . . . 0.0 108.654 -174.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 116.84 -24.61 9.41 Favored Glycine 0 CA--C 1.531 1.044 0 C-N-CA 124.832 1.206 . . . . 0.0 112.119 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 9.7 mp -73.35 138.56 45.43 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 118.829 1.315 . . . . 0.0 110.998 -174.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 75.2 mtt85 -80.52 126.32 31.08 Favored 'General case' 0 N--CA 1.462 0.157 0 N-CA-C 105.307 -2.109 . . . . 0.0 105.307 168.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 18.6 m -144.63 -172.19 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 C-N-CA 125.535 1.534 . . . . 0.0 107.739 -172.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.8 t -121.55 147.75 25.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 105.965 -1.865 . . . . 0.0 105.965 170.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -145.59 150.1 35.75 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 124.512 1.125 . . . . 0.0 108.557 -172.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 74.7 tttt -81.99 134.15 35.35 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 107.605 -1.258 . . . . 0.0 107.605 177.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1495 ' ' TRP . . . . . 0.415 ' CE3' HH12 ' B' ' 370' ' ' MLY . 18.8 t-105 -87.31 145.8 26.2 Favored 'General case' 0 N--CA 1.441 -0.907 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 169.148 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 2.3 m -65.62 -174.53 0.21 Allowed 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.013 1.725 . . . . 0.0 113.316 -172.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 41.5 m 53.64 42.87 31.77 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 120.682 -1.261 . . . . 0.0 111.374 -172.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 66.5 t30 49.0 47.5 21.72 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.329 1.852 . . . . 0.0 113.271 -175.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -83.81 179.32 52.21 Favored Glycine 0 CA--C 1.525 0.657 0 CA-C-O 122.445 1.025 . . . . 0.0 113.777 -177.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1500 ' ' TYR . . . . . 0.419 ' CG ' ' HA ' ' A' 1589 ' ' SER . 7.7 m-30 -75.14 169.3 18.29 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 127.065 2.146 . . . . 0.0 110.435 175.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -96.95 108.65 21.41 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 106.198 -1.779 . . . . 0.0 106.198 -178.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -105.43 151.43 24.25 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 125.034 1.334 . . . . 0.0 108.963 -174.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 4.2 m -67.42 145.54 54.92 Favored 'General case' 0 CA--C 1.534 0.365 0 O-C-N 121.788 -0.57 . . . . 0.0 110.501 176.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -167.02 179.04 40.99 Favored Glycine 0 C--O 1.226 -0.358 0 N-CA-C 111.824 -0.511 . . . . 0.0 111.824 177.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -123.08 129.8 51.94 Favored 'General case' 0 CA--C 1.512 -0.508 0 N-CA-C 106.234 -1.765 . . . . 0.0 106.234 -176.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 13.8 mt -71.08 133.03 32.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 179.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 35.7 p -109.21 -28.7 8.88 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 123.512 0.725 . . . . 0.0 109.656 -174.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 20.9 ttt-85 -167.79 154.8 8.18 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.124 178.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 4.0 t70 -85.6 106.04 16.62 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 102.076 -3.305 . . . . 0.0 102.076 167.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.6 t -67.19 -49.11 75.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 -178.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 144.63 169.12 13.05 Favored Glycine 0 C--N 1.335 0.528 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 175.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 57.4 8.94 0.66 Allowed 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 178.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 106.25 -8.38 41.37 Favored Glycine 0 CA--C 1.524 0.598 0 C-N-CA 125.59 1.566 . . . . 0.0 111.231 -176.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 30.3 mtpt -75.23 138.42 41.9 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 119.593 1.696 . . . . 0.0 108.23 172.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -127.39 137.6 52.79 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 105.626 -1.99 . . . . 0.0 105.626 169.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -85.09 137.79 32.82 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 176.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.2 mm? -125.33 119.05 27.29 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 125.007 1.323 . . . . 0.0 108.75 -169.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 40.1 tp -84.04 93.21 8.04 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 104.916 -2.253 . . . . 0.0 104.916 168.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -56.23 148.59 18.01 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 173.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -66.21 -18.86 65.61 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -169.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 26.7 p-10 -84.0 3.65 33.39 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.55 1.14 . . . . 0.0 113.112 172.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 103.09 -1.62 47.53 Favored Glycine 0 CA--C 1.531 1.051 0 C-N-CA 125.158 1.361 . . . . 0.0 114.54 169.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -80.73 157.36 25.87 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 118.283 1.041 . . . . 0.0 109.669 -177.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -140.92 120.56 13.32 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -177.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 89.4 m -147.18 167.22 24.73 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.935 1.694 . . . . 0.0 107.877 172.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -91.07 144.06 26.04 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 124.242 1.017 . . . . 0.0 109.464 175.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 90.1 t -143.37 139.71 26.47 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.23 0 N-CA-C 107.332 -1.358 . . . . 0.0 107.332 -176.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 7.2 mt -78.38 152.26 32.36 Favored 'General case' 0 CA--C 1.513 -0.475 0 O-C-N 121.823 -0.548 . . . . 0.0 112.3 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -52.17 -40.38 51.92 Favored Glycine 0 CA--C 1.523 0.549 0 C-N-CA 124.986 1.279 . . . . 0.0 113.613 -179.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1530 ' ' LYS . . . . . . . . . . . . 0.254 0.0 OUTLIER -64.59 -14.11 56.29 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 118.851 1.325 . . . . 0.0 113.129 178.715 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -110.17 20.28 18.04 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.948 1.699 . . . . 0.0 111.561 -176.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -131.03 132.12 63.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 N-CA-C 106.128 -1.804 . . . . 0.0 106.128 178.694 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 8.1 mp -117.49 118.03 31.06 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 103.979 -2.6 . . . . 0.0 103.979 -174.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1534 ' ' LEU . . . . . 0.53 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -112.59 -2.38 14.6 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 117.194 2.294 . . . . 0.0 117.194 -168.693 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 25.2 p -130.1 52.69 1.99 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 105.086 -2.19 . . . . 0.0 105.086 -179.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -99.42 16.56 0.05 OUTLIER Pre-proline 0 CA--C 1.544 0.724 0 N-CA-C 121.709 3.966 . . . . 0.0 121.709 -167.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -54.91 118.97 5.74 Favored 'Trans proline' 0 CA--C 1.542 0.88 0 CA-C-N 125.264 2.916 . . . . 0.0 106.067 169.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 7.4 mm -60.55 123.99 76.59 Favored Pre-proline 0 CA--C 1.536 0.44 0 CA-C-O 118.395 -0.812 . . . . 0.0 109.771 -167.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -63.84 139.98 71.19 Favored 'Trans proline' 0 N--CA 1.452 -0.959 0 C-N-CA 121.976 1.784 . . . . 0.0 110.355 172.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 4.0 mp -55.41 148.62 14.82 Favored 'General case' 0 CA--C 1.532 0.281 0 O-C-N 121.786 -0.571 . . . . 0.0 109.771 172.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 6.4 t70 75.22 -4.73 2.31 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 127.229 2.212 . . . . 0.0 113.259 -177.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 28.5 m -69.0 138.35 54.45 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 108.428 -0.952 . . . . 0.0 108.428 170.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -79.01 137.08 37.41 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 171.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 1.9 m -145.15 164.58 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 C-N-CA 124.434 1.094 . . . . 0.0 109.39 -176.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 15.5 m -90.18 139.87 30.22 Favored 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 105.654 -1.98 . . . . 0.0 105.654 169.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -116.23 138.7 51.07 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 107.132 -1.433 . . . . 0.0 107.132 175.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1547 ' ' LEU . . . . . 0.43 HD11 HD22 ' B' ' 369' ' ' LEU . 0.2 OUTLIER -139.05 110.96 7.22 Favored 'General case' 0 CA--C 1.514 -0.438 0 C-N-CA 123.293 0.637 . . . . 0.0 111.701 -169.75 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 7.8 m -66.3 125.36 25.36 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 102.625 -3.102 . . . . 0.0 102.625 167.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -52.19 -22.67 4.55 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 115.992 1.849 . . . . 0.0 115.992 -168.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 37.0 t70 -66.65 -47.19 73.31 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 118.981 0.81 . . . . 0.0 111.423 177.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 175.54 -22.42 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.771 1.628 . . . . 0.0 114.158 173.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -56.8 123.38 14.82 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 119.521 1.055 . . . . 0.0 109.697 -169.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 2.1 t80 -125.09 128.55 48.63 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 125.123 1.369 . . . . 0.0 110.883 -168.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 2.4 p -151.87 178.1 9.75 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.453 1.501 . . . . 0.0 109.232 171.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -131.81 158.24 41.8 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 120.795 -1.19 . . . . 0.0 110.905 174.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.68 -159.8 17.56 Favored Glycine 0 CA--C 1.528 0.905 0 C-N-CA 126.19 1.852 . . . . 0.0 108.898 -170.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.4 t -132.46 143.09 40.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 CA-C-N 118.648 1.224 . . . . 0.0 110.193 -174.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 57.4 t -66.3 128.78 29.92 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 172.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -132.57 13.42 4.49 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.499 1.12 . . . . 0.0 111.489 171.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -177.07 173.2 46.1 Favored Glycine 0 C--N 1.338 0.686 0 CA-C-N 119.012 0.824 . . . . 0.0 112.487 173.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 9.2 m80 -136.35 154.33 50.87 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 125.902 1.681 . . . . 0.0 109.954 -177.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 49.2 ttt180 -149.72 159.34 44.42 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 171.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -129.77 126.25 37.73 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 106.256 -1.757 . . . . 0.0 106.256 170.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -150.8 139.46 20.67 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 -174.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 41.1 m 49.25 30.75 3.27 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 114.35 1.241 . . . . 0.0 114.35 177.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 66.53 35.62 90.27 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 121.597 -0.69 . . . . 0.0 112.089 -178.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -138.81 147.34 42.41 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 106.332 -1.729 . . . . 0.0 106.332 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 48.8 tp -95.19 130.4 41.94 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 124.455 1.102 . . . . 0.0 108.453 -175.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -121.3 156.25 32.94 Favored 'General case' 0 CA--C 1.513 -0.467 0 C-N-CA 124.63 1.172 . . . . 0.0 109.332 -175.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -137.34 132.21 33.27 Favored 'General case' 0 N--CA 1.442 -0.833 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 -175.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 46.8 t -83.89 104.1 13.7 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 102.209 -3.256 . . . . 0.0 102.209 168.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 28.2 mm -85.29 122.44 38.29 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 N-CA-C 105.352 -2.092 . . . . 0.0 105.352 171.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -83.19 120.44 25.8 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 102.579 -3.119 . . . . 0.0 102.579 168.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 22.7 ttpp -141.89 135.13 29.18 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 105.106 -2.183 . . . . 0.0 105.106 -173.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 55.72 27.62 10.97 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.527 0.731 . . . . 0.0 111.351 -176.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 81.05 14.52 79.14 Favored Glycine 0 CA--C 1.53 1.005 0 CA-C-O 118.943 -0.92 . . . . 0.0 113.355 175.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -142.56 154.59 44.59 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 118.661 1.23 . . . . 0.0 110.695 -179.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 88.4 mtm-85 -80.89 138.23 36.16 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.136 0.975 . . . . 0.0 109.37 -175.235 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -144.48 127.96 16.97 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 107.026 -1.472 . . . . 0.0 107.026 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 92.2 m95 -81.06 126.95 32.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 118.518 0.599 . . . . 0.0 110.338 177.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -128.7 166.67 18.5 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 107.122 -1.436 . . . . 0.0 107.122 169.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 55.8 pttt -115.98 166.39 12.04 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.79 1.236 . . . . 0.0 110.075 -176.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -48.31 -52.03 23.34 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 117.423 -1.275 . . . . 0.0 114.249 -169.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -69.79 -19.47 63.5 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 121.503 1.956 . . . . 0.0 113.394 179.338 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -87.26 -4.92 59.1 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 125.085 1.354 . . . . 0.0 111.167 172.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 91.2 t -119.63 90.63 1.62 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.643 0 N-CA-C 105.667 -1.975 . . . . 0.0 105.667 177.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 11.8 pt -108.21 174.78 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 -175.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 4.4 mt -122.03 134.69 54.79 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 106.826 -1.546 . . . . 0.0 106.826 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1589 ' ' SER . . . . . 0.419 ' HA ' ' CG ' ' A' 1500 ' ' TYR . 12.6 p -63.6 167.33 5.81 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 106.3 -1.741 . . . . 0.0 106.3 168.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.1 pp -57.87 -37.59 74.2 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 121.11 -0.994 . . . . 0.0 111.826 173.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -72.28 -42.0 66.05 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 121.283 -0.885 . . . . 0.0 108.741 -174.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -67.09 -49.95 63.28 Favored 'General case' 0 C--O 1.227 -0.123 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 179.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -63.24 -29.89 75.85 Favored Glycine 0 C--N 1.338 0.677 0 CA-C-O 118.737 -1.035 . . . . 0.0 111.552 -176.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -53.68 -38.79 64.54 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 119.327 1.563 . . . . 0.0 112.512 174.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -61.25 -17.37 53.04 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 118.64 0.655 . . . . 0.0 112.546 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1596 ' ' LEU . . . . . 0.527 ' N ' HD23 ' A' 1596 ' ' LEU . 0.0 OUTLIER -115.11 -15.96 11.65 Favored 'General case' 0 C--N 1.342 0.244 0 C-N-CA 124.556 1.142 . . . . 0.0 110.919 176.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 8.4 tmm_? -62.25 -38.48 89.42 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 120.4 1.455 . . . . 0.0 110.082 179.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -59.06 -22.03 60.09 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.788 0.835 . . . . 0.0 112.989 179.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -113.97 -44.01 3.2 Favored 'General case' 0 C--N 1.346 0.427 0 CA-C-N 119.162 0.892 . . . . 0.0 111.668 -176.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 8.9 m-30 -94.28 -16.14 23.85 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.07 0.948 . . . . 0.0 111.969 -170.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -42.2 129.42 4.6 Favored Glycine 0 CA--C 1.53 0.973 0 C-N-CA 126.406 1.955 . . . . 0.0 111.907 170.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1602 ' ' LEU . . . . . 0.53 HD22 HD23 ' A' 1534 ' ' LEU . 0.9 OUTLIER -65.75 -44.46 85.84 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 118.185 0.992 . . . . 0.0 109.238 174.201 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.193 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 -175.354 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 363' ' ' ARG . . . . . . . . . . . . . 9.3 tmm_? . . . . . 0 N--CA 1.493 1.702 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -68.78 150.52 47.76 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.242 0.617 . . . . 0.0 110.247 174.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 365' ' ' HIS . . . . . 0.438 ' CG ' ' H ' ' B' ' 366' ' ' SER . 78.2 t60 54.98 -179.23 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.462 1.905 . . . . 0.0 114.007 174.481 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 366' ' ' SER . . . . . 0.438 ' H ' ' CG ' ' B' ' 365' ' ' HIS . 16.5 m -70.54 175.93 4.47 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.236 1.414 . . . . 0.0 109.5 169.286 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 8.2 m -60.96 -26.4 67.52 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 -175.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 368' ' ' HIS . . . . . . . . . . . . . 11.8 t60 42.23 -109.2 0.11 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.788 1.635 . . . . 0.0 110.38 -173.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 369' ' ' LEU . . . . . 0.43 HD22 HD11 ' A' 1547 ' ' LEU . 5.8 tp -158.15 140.88 14.68 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 104.759 -2.311 . . . . 0.0 104.759 -175.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 370' ' ' MLY . . . . . 0.415 HH12 ' CE3' ' A' 1495 ' ' TRP . . . . . . . . 0 N--CA 1.468 0.448 0 C-N-CA 124.926 1.291 . . . . 0.0 112.442 172.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 371' ' ' SER . . . . . . . . . . . . . 2.6 p 55.66 -1.86 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 129.4 3.08 . . . . 0.0 116.844 169.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 372' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -82.33 115.3 21.32 Favored 'General case' 0 CA--C 1.53 0.201 0 O-C-N 121.054 -1.029 . . . . 0.0 109.024 -173.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 373' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt 48.67 31.34 2.96 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.711 1.605 . . . . 0.0 113.244 172.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 374' ' ' GLY . . . . . . . . . . . . . . . 150.33 -169.62 30.29 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 108.422 -1.871 . . . . 0.0 108.422 -170.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -59.97 -36.43 77.12 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 117.326 0.563 . . . . 0.0 110.779 175.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 40.7 m -153.65 165.57 35.54 Favored 'General case' 0 C--O 1.242 0.663 0 C-N-CA 125.858 1.663 . . . . 0.0 108.335 175.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 3.2 m . . . . . 0 C--O 1.254 1.302 0 C-N-CA 125.149 1.38 . . . . 0.0 110.122 172.079 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.699 0 CA-C-O 121.29 0.383 . . . . 0.0 112.552 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 13.4 t60 -150.63 171.1 17.65 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 125.593 1.557 . . . . 0.0 108.483 178.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 75.1 mtm -59.31 150.9 24.7 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.693 0.797 . . . . 0.0 110.279 171.002 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 58.4 t30 -66.67 154.86 39.54 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 171.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 18.0 m -65.13 96.19 0.2 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.094 0.957 . . . . 0.0 109.913 173.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 88.1 m-85 67.66 -63.96 0.29 Allowed 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 127.973 2.509 . . . . 0.0 114.342 169.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 6.4 t -58.67 115.12 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 C-N-CA 125.673 1.589 . . . . 0.0 108.662 -173.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 114.12 -22.81 13.5 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 125.145 1.355 . . . . 0.0 112.388 179.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 8.9 mp -75.2 138.76 42.18 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 118.955 1.378 . . . . 0.0 111.105 -173.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 54.3 mtp180 -78.23 128.26 33.47 Favored 'General case' 0 C--O 1.23 0.056 0 N-CA-C 105.523 -2.028 . . . . 0.0 105.523 168.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 19.0 m -145.81 -172.18 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 C-N-CA 125.751 1.62 . . . . 0.0 107.838 -175.02 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 5.1 t -122.73 147.63 26.85 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.114 0 N-CA-C 105.689 -1.967 . . . . 0.0 105.689 169.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -145.22 152.03 39.34 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 124.362 1.065 . . . . 0.0 108.318 -169.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 82.1 tttt -82.59 134.56 35.18 Favored 'General case' 0 CA--C 1.507 -0.674 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 178.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1495 ' ' TRP . . . . . 0.44 ' CE3' HH12 ' B' ' 370' ' ' MLY . 27.8 t-105 -83.26 90.49 7.13 Favored 'General case' 0 N--CA 1.44 -0.974 0 N-CA-C 105.12 -2.178 . . . . 0.0 105.12 169.061 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 11.8 m -56.89 -25.93 57.93 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.929 1.292 . . . . 0.0 112.578 -172.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 8.2 m -67.8 -7.51 28.27 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.15 0.98 . . . . 0.0 113.219 178.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 39.8 t30 -149.67 -52.5 0.15 Allowed 'General case' 0 C--N 1.349 0.555 0 CA-C-N 120.303 1.41 . . . . 0.0 114.123 168.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . 164.87 -44.79 0.29 Allowed Glycine 0 C--N 1.344 1.013 0 N-CA-C 118.088 1.995 . . . . 0.0 118.088 -179.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 4.5 m-30 -78.38 163.4 25.69 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.634 1.717 . . . . 0.0 111.887 -169.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 2.2 m-30 -110.93 112.99 25.21 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 -169.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -108.59 151.8 25.63 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 125.698 1.599 . . . . 0.0 108.65 -172.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 3.9 m -74.07 150.42 40.6 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 123.077 0.551 . . . . 0.0 110.299 178.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -173.58 -175.22 41.14 Favored Glycine 0 C--N 1.332 0.344 0 O-C-N 121.551 -0.718 . . . . 0.0 111.94 -175.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -128.35 129.53 46.39 Favored 'General case' 0 CA--C 1.516 -0.351 0 C-N-CA 125.98 1.712 . . . . 0.0 106.817 -173.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 16.6 mt -72.47 130.87 35.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 106.905 -1.517 . . . . 0.0 106.905 179.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 65.6 p -105.81 -36.83 6.9 Favored 'General case' 0 CA--C 1.519 -0.24 0 C-N-CA 123.109 0.563 . . . . 0.0 110.513 -171.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.81 142.21 3.59 Favored 'General case' 0 C--N 1.344 0.343 0 C-N-CA 123.934 0.894 . . . . 0.0 111.21 177.202 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 7.4 t0 -69.49 102.92 1.91 Allowed 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 125.143 1.377 . . . . 0.0 107.748 168.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.5 t -64.9 -50.23 76.08 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 -175.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 146.66 165.41 11.61 Favored Glycine 0 C--N 1.337 0.612 0 N-CA-C 109.763 -1.335 . . . . 0.0 109.763 177.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 59.71 4.74 0.59 Allowed 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 115.262 1.579 . . . . 0.0 115.262 178.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 107.93 -7.27 35.59 Favored Glycine 0 CA--C 1.525 0.7 0 C-N-CA 124.749 1.166 . . . . 0.0 111.075 -173.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -74.61 138.03 42.7 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 120.462 2.131 . . . . 0.0 108.159 169.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -127.26 136.96 52.72 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 104.902 -2.258 . . . . 0.0 104.902 169.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -83.81 137.72 33.58 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 176.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.0 mm? -124.63 119.13 28.13 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 125.1 1.36 . . . . 0.0 108.144 -169.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 32.8 tp -83.75 94.31 8.13 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 103.929 -2.619 . . . . 0.0 103.929 169.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -55.85 148.47 16.82 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 172.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -65.6 -14.49 61.26 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.2 0.6 . . . . 0.0 112.351 -169.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 18.5 p-10 -90.34 0.78 57.1 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.686 1.594 . . . . 0.0 113.495 174.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 110.06 -6.0 30.63 Favored Glycine 0 CA--C 1.532 1.139 0 C-N-CA 124.926 1.25 . . . . 0.0 114.755 168.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -79.47 154.58 28.79 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 118.226 1.013 . . . . 0.0 109.415 -175.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -139.35 118.07 12.32 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 -175.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 10.7 m -145.93 158.14 43.87 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.819 1.248 . . . . 0.0 107.896 -178.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -80.75 143.0 33.25 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 171.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 88.9 t -141.88 139.65 30.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 N-CA-C 107.0 -1.482 . . . . 0.0 107.0 177.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.0 mt -77.68 150.82 34.47 Favored 'General case' 0 C--O 1.22 -0.491 0 O-C-N 121.819 -0.551 . . . . 0.0 111.022 179.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -54.89 -35.06 57.99 Favored Glycine 0 CA--C 1.523 0.589 0 C-N-CA 124.744 1.164 . . . . 0.0 112.743 -178.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.81 -33.14 64.16 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 117.711 0.756 . . . . 0.0 110.415 176.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -100.49 23.15 10.68 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 125.93 1.692 . . . . 0.0 111.992 -170.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -131.22 136.82 56.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 N-CA-C 106.652 -1.61 . . . . 0.0 106.652 179.33 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 62.5 mt -118.36 113.71 21.82 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 127.592 2.357 . . . . 0.0 104.813 -174.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1534 ' ' LEU . . . . . 0.549 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -110.36 -2.4 16.68 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 116.535 2.05 . . . . 0.0 116.535 -169.126 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 23.5 p -130.45 57.54 1.71 Allowed 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 104.076 -2.565 . . . . 0.0 104.076 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -98.63 19.23 0.04 OUTLIER Pre-proline 0 CA--C 1.543 0.709 0 N-CA-C 120.858 3.651 . . . . 0.0 120.858 -168.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -57.63 113.13 1.37 Allowed 'Trans proline' 0 CA--C 1.541 0.844 0 CA-C-N 125.005 2.823 . . . . 0.0 105.492 168.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 15.8 mm -60.94 124.32 79.33 Favored Pre-proline 0 CA--C 1.537 0.467 0 CA-C-O 118.376 -0.821 . . . . 0.0 109.559 -167.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -62.07 141.23 88.05 Favored 'Trans proline' 0 N--CA 1.451 -1.009 0 C-N-CA 121.724 1.616 . . . . 0.0 110.056 174.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1540 ' ' LEU . . . . . 0.488 ' H ' HD12 ' A' 1540 ' ' LEU . 4.1 mp -56.7 144.26 33.18 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 169.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 21.3 t70 82.24 -7.74 1.31 Allowed 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 127.442 2.297 . . . . 0.0 113.512 -176.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 18.3 m -68.77 136.47 52.84 Favored 'General case' 0 C--O 1.239 0.513 0 O-C-N 120.972 -1.08 . . . . 0.0 108.497 170.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -79.27 137.07 37.23 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 171.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 1.8 m -145.56 160.27 12.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 124.359 1.063 . . . . 0.0 109.172 -176.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 35.2 m -89.73 139.26 30.74 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 105.617 -1.994 . . . . 0.0 105.617 169.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -113.36 144.97 41.86 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 125.187 1.395 . . . . 0.0 107.782 176.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -139.06 114.09 9.41 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 123.897 0.879 . . . . 0.0 109.775 -169.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 18.9 m -62.14 150.17 39.37 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 105.768 -1.938 . . . . 0.0 105.768 167.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -61.82 -17.6 56.89 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 115.137 1.532 . . . . 0.0 115.137 -168.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 20.2 t0 -86.04 -62.51 1.5 Allowed 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 119.552 1.069 . . . . 0.0 111.157 178.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -167.83 -13.48 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 173.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -59.3 122.67 14.47 Favored 'General case' 0 C--N 1.341 0.229 0 CA-C-N 119.953 1.252 . . . . 0.0 110.108 -170.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -115.94 133.0 56.48 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 125.412 1.485 . . . . 0.0 110.57 -168.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 1.1 p -152.36 178.14 9.84 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.669 1.588 . . . . 0.0 108.876 173.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -136.17 158.93 43.24 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 119.967 1.258 . . . . 0.0 111.31 174.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -171.48 -160.69 20.62 Favored Glycine 0 CA--C 1.528 0.849 0 N-CA-C 108.776 -1.73 . . . . 0.0 108.776 -172.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.8 t -131.32 143.54 40.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-N 118.279 1.04 . . . . 0.0 109.024 -174.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 80.3 t -66.49 125.14 23.14 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 173.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 86.4 mttt -134.27 22.45 3.76 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 118.999 0.818 . . . . 0.0 112.039 171.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -179.44 171.36 43.14 Favored Glycine 0 C--N 1.34 0.805 0 O-C-N 121.322 -0.861 . . . . 0.0 111.528 169.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 8.3 m80 -137.17 154.72 50.16 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.793 1.637 . . . . 0.0 110.555 -177.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 47.8 ttt180 -150.7 160.69 43.67 Favored 'General case' 0 N--CA 1.461 0.094 0 C-N-CA 125.198 1.399 . . . . 0.0 107.264 170.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -131.6 126.69 35.4 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 106.173 -1.788 . . . . 0.0 106.173 169.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -150.99 138.93 19.94 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -174.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 40.6 m 49.86 30.77 4.09 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 176.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 68.11 34.1 80.34 Favored Glycine 0 CA--C 1.53 0.97 0 CA-C-O 119.326 -0.708 . . . . 0.0 112.426 -178.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -138.74 147.13 42.29 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 105.763 -1.94 . . . . 0.0 105.763 175.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 55.8 tp -93.89 134.28 36.43 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 125.326 1.45 . . . . 0.0 107.603 -175.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -124.33 155.02 39.45 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 125.141 1.376 . . . . 0.0 108.966 -172.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -137.45 131.92 32.62 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 106.85 -1.537 . . . . 0.0 106.85 -174.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.9 t -85.96 98.82 11.03 Favored 'General case' 0 CA--C 1.514 -0.432 0 N-CA-C 102.773 -3.047 . . . . 0.0 102.773 169.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 31.2 mm -80.09 125.8 39.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 105.255 -2.128 . . . . 0.0 105.255 173.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -82.87 115.92 21.96 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 102.552 -3.129 . . . . 0.0 102.552 168.343 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 19.7 ttpt -141.37 135.83 30.85 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 104.668 -2.345 . . . . 0.0 104.668 -170.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 54.69 25.94 7.0 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 122.96 0.504 . . . . 0.0 111.705 -172.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 78.56 15.19 81.22 Favored Glycine 0 CA--C 1.53 1.016 0 CA-C-O 118.834 -0.981 . . . . 0.0 113.53 177.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -142.62 156.01 45.02 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 118.742 1.271 . . . . 0.0 110.509 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 69.6 mtp180 -79.1 135.57 36.89 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 124.023 0.929 . . . . 0.0 109.393 -174.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -142.49 129.6 20.86 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 106.384 -1.71 . . . . 0.0 106.384 -179.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 90.6 m95 -80.99 126.4 31.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 118.551 0.614 . . . . 0.0 109.88 178.014 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -128.89 161.8 29.01 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 106.792 -1.558 . . . . 0.0 106.792 169.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -107.69 165.87 11.11 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.658 1.183 . . . . 0.0 110.113 -175.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -51.37 -44.2 62.04 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 120.152 1.342 . . . . 0.0 113.296 -175.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -68.63 -26.62 65.43 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 121.209 1.822 . . . . 0.0 112.471 177.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -87.56 -3.83 58.98 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.767 1.227 . . . . 0.0 111.346 179.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 88.2 t -118.36 93.01 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 N-CA-C 105.11 -2.182 . . . . 0.0 105.11 -179.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 7.8 pt -108.73 167.7 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 N-CA-C 107.343 -1.354 . . . . 0.0 107.343 -174.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 5.6 mt -113.35 124.72 53.12 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 -176.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.62 144.3 56.36 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 105.418 -2.068 . . . . 0.0 105.418 168.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.3 pp -52.59 -36.78 56.79 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 -168.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -65.42 -37.75 87.88 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -177.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -79.37 -43.3 23.74 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 -177.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -55.09 -33.73 57.79 Favored Glycine 0 CA--C 1.526 0.754 0 C-N-CA 123.377 0.513 . . . . 0.0 111.979 174.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -62.88 -44.3 96.47 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 118.339 1.069 . . . . 0.0 111.432 176.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 40.7 mtt180 -61.63 -16.67 50.5 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 112.557 0.576 . . . . 0.0 112.557 176.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.9 mp -95.83 -30.16 13.83 Favored 'General case' 0 C--N 1.342 0.279 0 C-N-CA 123.5 0.72 . . . . 0.0 110.588 171.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 68.0 ttp85 -56.63 -38.51 72.2 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.148 1.379 . . . . 0.0 111.785 -176.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -58.0 -22.62 50.43 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 118.545 -0.741 . . . . 0.0 112.962 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -115.28 -45.58 2.93 Favored 'General case' 0 C--N 1.348 0.521 0 CA-C-N 119.611 1.096 . . . . 0.0 112.382 178.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 8.0 m-30 -92.13 -8.04 46.82 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 123.977 0.911 . . . . 0.0 112.625 -169.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -56.8 131.92 51.9 Favored Glycine 0 CA--C 1.525 0.682 0 C-N-CA 125.335 1.445 . . . . 0.0 110.875 179.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1602 ' ' LEU . . . . . 0.549 HD22 HD23 ' A' 1534 ' ' LEU . 0.6 OUTLIER -65.96 -45.54 81.36 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 118.55 1.175 . . . . 0.0 109.037 174.065 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.12 0 N-CA-C 109.651 -1.379 . . . . 0.0 109.651 -174.747 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 363' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 . . . . . 0 N--CA 1.494 1.728 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -138.28 75.6 1.53 Allowed 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.334 1.454 . . . . 0.0 107.083 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 365' ' ' HIS . . . . . . . . . . . . . 41.0 t60 63.97 171.33 0.17 Allowed 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 126.511 1.925 . . . . 0.0 111.819 -169.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 366' ' ' SER . . . . . . . . . . . . . 40.5 m -71.69 176.71 4.62 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.152 0.981 . . . . 0.0 109.663 169.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 5.7 m -57.19 -23.93 51.01 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.111 0.964 . . . . 0.0 113.333 176.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 368' ' ' HIS . . . . . . . . . . . . . 4.5 t60 58.62 -68.34 0.03 OUTLIER 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 128.117 2.567 . . . . 0.0 112.606 -169.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 369' ' ' LEU . . . . . 0.528 ' HG ' ' H ' ' B' ' 371' ' ' SER . 44.8 tp -163.86 -71.69 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 119.995 1.27 . . . . 0.0 111.254 -176.66 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 370' ' ' MLY . . . . . 0.44 HH12 ' CE3' ' A' 1495 ' ' TRP . . . . . . . . 0 N--CA 1.478 0.973 0 C-N-CA 127.105 2.162 . . . . 0.0 114.8 -175.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 371' ' ' SER . . . . . 0.528 ' H ' ' HG ' ' B' ' 369' ' ' LEU 0.296 18.0 p 48.6 12.23 0.04 OUTLIER 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 129.738 3.215 . . . . 0.0 116.154 177.568 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 372' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -149.13 166.79 27.72 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.155 1.382 . . . . 0.0 110.383 174.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 373' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm 48.94 34.77 5.79 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.733 1.613 . . . . 0.0 112.806 175.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 374' ' ' GLY . . . . . . . . . . . . . . . 174.05 165.46 30.7 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 109.432 -1.467 . . . . 0.0 109.432 176.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 49.33 31.01 3.5 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.101 1.36 . . . . 0.0 112.695 -177.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 1.2 p -67.31 -24.76 65.78 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.741 1.216 . . . . 0.0 112.391 179.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 24.1 m . . . . . 0 C--O 1.252 1.217 0 C-N-CA 126.343 1.857 . . . . 0.0 106.32 179.484 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.515 0 N-CA-C 111.678 -0.569 . . . . 0.0 111.678 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -149.34 174.81 12.03 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.156 1.382 . . . . 0.0 108.312 177.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? 49.23 51.19 16.73 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.626 1.17 . . . . 0.0 110.31 -173.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 35.1 t30 -140.89 137.07 32.92 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 124.3 1.04 . . . . 0.0 108.737 -172.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 14.3 m 40.42 67.68 0.48 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.813 1.645 . . . . 0.0 111.717 -176.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 89.5 m-85 77.12 -54.49 0.55 Allowed 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 127.459 2.303 . . . . 0.0 112.739 176.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 3.1 t -64.69 125.45 21.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -170.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 101.59 -23.76 33.91 Favored Glycine 0 CA--C 1.529 0.954 0 C-N-CA 125.499 1.523 . . . . 0.0 113.177 -178.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 49.1 mt -69.73 135.43 49.77 Favored 'General case' 0 C--N 1.342 0.275 0 CA-C-N 119.217 1.509 . . . . 0.0 111.58 -173.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 58.2 mtm180 -77.62 127.16 32.01 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 105.897 -1.89 . . . . 0.0 105.897 168.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 20.3 m -146.86 -174.48 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 C-N-CA 125.506 1.522 . . . . 0.0 107.13 -173.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 1.9 t -120.51 148.07 23.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 106.114 -1.81 . . . . 0.0 106.114 171.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -148.33 150.25 33.27 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 123.892 0.877 . . . . 0.0 109.259 -170.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 78.1 tttt -82.94 132.65 35.14 Favored 'General case' 0 CA--C 1.513 -0.465 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 178.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1495 ' ' TRP . . . . . 0.445 ' CE3' HH12 ' B' ' 370' ' ' MLY . 23.6 t-105 -77.9 136.17 37.99 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 169.554 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 1.5 m -60.54 -21.66 62.76 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 117.999 2.592 . . . . 0.0 117.999 -168.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 13.3 m -77.11 46.73 0.5 Allowed 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 121.03 1.741 . . . . 0.0 111.61 178.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 66.1 t30 45.56 44.55 10.11 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.464 1.905 . . . . 0.0 111.175 -169.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -90.85 -177.78 43.74 Favored Glycine 0 C--N 1.341 0.813 0 CA-C-O 122.524 1.069 . . . . 0.0 114.421 -169.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 11.1 m-30 -69.73 168.44 14.97 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 126.323 1.849 . . . . 0.0 110.248 170.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -93.34 107.52 19.33 Favored 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 105.264 -2.125 . . . . 0.0 105.264 -178.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -99.0 152.55 19.69 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.279 1.032 . . . . 0.0 108.274 -176.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 5.2 m -75.14 148.54 39.55 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.432 0.693 . . . . 0.0 110.21 178.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -171.26 179.99 42.73 Favored Glycine 0 CA--C 1.523 0.558 0 O-C-N 121.766 -0.584 . . . . 0.0 111.717 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.54 134.86 54.71 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 106.373 -1.714 . . . . 0.0 106.373 177.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 7.7 mt -70.49 134.25 30.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 171.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 70.0 p -109.12 -35.06 6.41 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 123.087 0.555 . . . . 0.0 110.455 -171.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.63 143.69 3.38 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.314 1.046 . . . . 0.0 111.558 175.54 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 7.2 t0 -69.82 102.9 2.04 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.249 1.42 . . . . 0.0 108.647 169.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 1.3 t -65.22 -49.97 76.17 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -176.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 145.62 164.8 10.98 Favored Glycine 0 C--N 1.338 0.653 0 N-CA-C 109.911 -1.276 . . . . 0.0 109.911 178.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 60.04 4.93 0.68 Allowed 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 115.151 1.537 . . . . 0.0 115.151 177.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 108.41 -7.8 34.73 Favored Glycine 0 C--N 1.337 0.626 0 C-N-CA 124.903 1.24 . . . . 0.0 110.938 -173.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -75.4 138.03 41.43 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 120.09 1.945 . . . . 0.0 108.506 169.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -128.11 137.4 52.1 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 105.197 -2.149 . . . . 0.0 105.197 169.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 29.7 ttpt -83.84 139.56 32.58 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 177.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 2.8 mm? -124.99 118.31 25.95 Favored 'General case' 0 CA--C 1.51 -0.595 0 C-N-CA 125.104 1.361 . . . . 0.0 108.614 -169.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 40.7 tp -83.39 93.94 7.87 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 104.3 -2.481 . . . . 0.0 104.3 168.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -56.36 146.35 24.39 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 170.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -64.41 -20.86 66.42 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -170.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -81.69 3.46 25.41 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.381 1.472 . . . . 0.0 113.204 174.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 103.88 -4.01 45.59 Favored Glycine 0 CA--C 1.528 0.869 0 C-N-CA 125.243 1.402 . . . . 0.0 114.8 169.189 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -80.91 153.88 27.33 Favored 'General case' 0 C--O 1.231 0.089 0 CA-C-N 118.189 0.994 . . . . 0.0 109.267 -175.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -141.43 117.63 10.69 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 -176.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 85.5 m -144.76 162.72 36.05 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 125.231 1.413 . . . . 0.0 107.936 174.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -75.72 145.32 40.96 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 170.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 93.8 t -140.79 139.81 34.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 106.885 -1.524 . . . . 0.0 106.885 173.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.8 mt -77.38 150.67 35.07 Favored 'General case' 0 CA--C 1.51 -0.571 0 C-N-CA 122.941 0.497 . . . . 0.0 111.227 178.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -53.45 -35.57 51.36 Favored Glycine 0 CA--C 1.523 0.56 0 C-N-CA 124.952 1.263 . . . . 0.0 113.27 -179.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.97 -29.4 63.21 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 117.528 0.664 . . . . 0.0 110.891 177.361 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -106.14 21.83 16.7 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 126.03 1.732 . . . . 0.0 111.845 -170.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -131.63 132.61 62.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 N-CA-C 105.86 -1.904 . . . . 0.0 105.86 178.27 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 9.9 mp -117.82 119.87 36.21 Favored 'General case' 0 CA--C 1.516 -0.332 0 N-CA-C 104.521 -2.4 . . . . 0.0 104.521 -174.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1534 ' ' LEU . . . . . 0.513 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -113.3 -2.81 13.93 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 116.971 2.211 . . . . 0.0 116.971 -168.155 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 24.3 p -132.01 50.39 2.24 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 106.163 -1.792 . . . . 0.0 106.163 -177.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 54.5 t0 -116.87 60.49 2.36 Favored Pre-proline 0 CA--C 1.539 0.554 0 N-CA-C 116.28 1.956 . . . . 0.0 116.28 -168.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -71.73 122.4 8.5 Favored 'Trans proline' 0 CA--C 1.544 1.013 1 N-CA-C 100.743 -4.368 . . . . 0.0 100.743 165.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1538 ' ' ILE . . . . . 0.412 HG21 HG11 ' A' 1544 ' ' VAL . 7.0 mm -59.9 124.05 74.89 Favored Pre-proline 0 CA--C 1.542 0.643 0 CA-C-N 119.13 0.877 . . . . 0.0 108.974 -168.467 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -62.92 142.71 89.36 Favored 'Trans proline' 0 N--CA 1.453 -0.909 0 C-N-CA 121.992 1.794 . . . . 0.0 110.265 176.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1540 ' ' LEU . . . . . 0.445 ' H ' HD12 ' A' 1540 ' ' LEU . 3.9 mp -57.47 147.46 26.45 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 169.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 21.2 t70 75.86 -5.78 2.11 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 127.169 2.188 . . . . 0.0 113.681 -176.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 24.0 m -70.11 134.06 47.79 Favored 'General case' 0 C--O 1.239 0.524 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 170.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -76.73 137.67 39.48 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 170.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1544 ' ' VAL . . . . . 0.412 HG11 HG21 ' A' 1538 ' ' ILE . 2.6 m -146.54 162.56 9.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 124.699 1.2 . . . . 0.0 109.297 -176.192 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 7.7 m -89.07 143.04 27.13 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 105.725 -1.954 . . . . 0.0 105.725 169.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -120.03 136.72 54.46 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 125.661 1.585 . . . . 0.0 107.254 177.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1547 ' ' LEU . . . . . 0.468 HD11 HD22 ' B' ' 369' ' ' LEU . 0.2 OUTLIER -138.69 113.69 9.3 Favored 'General case' 0 CA--C 1.515 -0.4 0 C-N-CA 123.646 0.779 . . . . 0.0 110.354 -170.042 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 11.8 m -64.13 138.33 58.4 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 105.226 -2.139 . . . . 0.0 105.226 168.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -62.15 13.62 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 117.468 2.396 . . . . 0.0 117.468 -169.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 32.9 t70 -109.22 -57.28 2.18 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 119.426 1.012 . . . . 0.0 110.527 171.345 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -170.1 -19.1 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 174.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -58.77 121.41 11.01 Favored 'General case' 0 C--N 1.344 0.351 0 CA-C-N 119.147 0.885 . . . . 0.0 109.317 -171.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 1.7 t80 -121.46 133.81 55.06 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 125.08 1.352 . . . . 0.0 110.389 -168.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 2.5 p -152.25 178.44 9.5 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.73 1.612 . . . . 0.0 109.37 171.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -135.05 157.35 47.15 Favored 'General case' 0 CA--C 1.534 0.335 0 O-C-N 120.798 -1.189 . . . . 0.0 111.051 172.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.29 -161.57 21.07 Favored Glycine 0 CA--C 1.527 0.825 0 C-N-CA 126.334 1.921 . . . . 0.0 109.194 -171.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.5 t -130.33 143.72 40.13 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-N 118.824 1.312 . . . . 0.0 109.539 -173.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 85.0 t -66.89 128.69 30.52 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 173.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -133.36 14.67 4.14 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.59 1.156 . . . . 0.0 111.764 171.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -176.67 173.61 46.41 Favored Glycine 0 C--N 1.339 0.719 0 CA-C-N 119.242 0.928 . . . . 0.0 111.921 171.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 8.4 m80 -138.04 153.45 49.36 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 126.304 1.842 . . . . 0.0 110.3 -175.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 29.7 ttt85 -148.28 159.29 44.13 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 170.031 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 12.0 mmtp -127.58 133.17 49.75 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 105.991 -1.855 . . . . 0.0 105.991 169.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -148.14 131.3 16.39 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 -178.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 33.4 m 47.13 39.15 7.68 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.126 1.371 . . . . 0.0 113.38 176.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 74.08 27.4 66.45 Favored Glycine 0 CA--C 1.53 0.995 0 CA-C-O 119.261 -0.744 . . . . 0.0 112.677 176.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -140.55 156.78 46.2 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 119.021 1.411 . . . . 0.0 108.315 176.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 32.1 tp -101.4 143.19 31.73 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 125.11 1.364 . . . . 0.0 110.102 -169.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -133.44 158.16 43.78 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 126.007 1.723 . . . . 0.0 108.58 -174.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -140.91 135.15 30.99 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 -174.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 48.5 t -86.61 103.65 15.3 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 102.342 -3.207 . . . . 0.0 102.342 168.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 29.3 mm -83.86 123.47 38.89 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.564 0 N-CA-C 105.5 -2.037 . . . . 0.0 105.5 172.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -83.0 121.67 27.3 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 103.112 -2.922 . . . . 0.0 103.112 168.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -143.14 135.07 26.86 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 104.956 -2.238 . . . . 0.0 104.956 -171.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 54.49 26.41 7.15 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.326 0.65 . . . . 0.0 111.965 -173.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 77.43 17.54 79.08 Favored Glycine 0 CA--C 1.53 0.977 0 CA-C-O 118.795 -1.003 . . . . 0.0 113.268 177.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -141.45 155.43 45.86 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 118.615 1.208 . . . . 0.0 110.414 178.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -80.47 139.35 36.46 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.898 0.879 . . . . 0.0 109.642 -174.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -144.75 127.07 15.81 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 106.45 -1.685 . . . . 0.0 106.45 178.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 93.0 m95 -80.87 131.48 35.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 118.848 0.749 . . . . 0.0 110.181 177.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -132.48 162.65 30.66 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.076 1.35 . . . . 0.0 108.305 169.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -102.74 164.66 11.5 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.349 1.46 . . . . 0.0 110.101 -175.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 21.9 ttp180 -51.71 -43.26 62.74 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 120.297 1.408 . . . . 0.0 114.179 -177.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.03 -21.28 62.29 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 121.463 1.938 . . . . 0.0 112.884 177.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -86.95 -8.31 57.34 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 124.566 1.147 . . . . 0.0 111.197 178.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 71.8 t -118.93 92.21 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 N-CA-C 105.297 -2.112 . . . . 0.0 105.297 -176.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 14.7 pt -110.81 160.03 10.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 -172.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 6.1 mt -103.63 118.23 36.23 Favored 'General case' 0 CA--C 1.511 -0.54 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 -176.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.06 137.44 51.19 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 105.513 -2.032 . . . . 0.0 105.513 169.336 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.6 pp -50.47 -38.55 44.43 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -168.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -69.94 -35.39 74.47 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.125 0.875 . . . . 0.0 110.033 -177.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -69.69 -47.42 63.26 Favored 'General case' 0 C--O 1.227 -0.08 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 176.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -62.31 -31.56 79.68 Favored Glycine 0 C--N 1.338 0.679 0 CA-C-O 119.647 -0.53 . . . . 0.0 112.104 -179.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -58.62 -41.61 86.31 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 118.976 1.388 . . . . 0.0 111.704 177.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 29.3 mtp85 -61.36 -16.23 44.13 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.032 0.533 . . . . 0.0 112.337 178.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 7.4 mp -103.75 -26.74 12.62 Favored 'General case' 0 C--N 1.341 0.221 0 C-N-CA 124.82 1.248 . . . . 0.0 110.241 175.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 9.0 tmm_? -59.51 -37.9 79.51 Favored 'General case' 0 C--O 1.224 -0.264 0 C-N-CA 124.356 1.062 . . . . 0.0 110.395 -176.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -57.59 -20.63 33.81 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.843 0.857 . . . . 0.0 113.233 178.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -114.18 -47.25 2.95 Favored 'General case' 0 C--N 1.345 0.39 0 CA-C-N 119.658 1.117 . . . . 0.0 111.61 179.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 11.7 m-30 -90.08 -17.67 27.31 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 124.183 0.993 . . . . 0.0 112.467 -169.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -43.9 130.5 6.62 Favored Glycine 0 CA--C 1.529 0.916 0 C-N-CA 126.224 1.868 . . . . 0.0 111.784 170.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1602 ' ' LEU . . . . . 0.513 HD22 HD23 ' A' 1534 ' ' LEU . 0.8 OUTLIER -65.37 -43.32 91.12 Favored 'General case' 0 C--N 1.342 0.248 0 CA-C-N 118.126 0.963 . . . . 0.0 109.252 174.722 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.251 0 N-CA-C 109.305 -1.518 . . . . 0.0 109.305 -174.128 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 363' ' ' ARG . . . . . . . . . . . . . 22.9 tpp85 . . . . . 0 N--CA 1.495 1.777 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -73.3 -32.26 64.52 Favored 'General case' 0 C--N 1.346 0.429 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -170.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 365' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -153.43 169.7 22.51 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 123.881 0.872 . . . . 0.0 110.004 -172.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 366' ' ' SER . . . . . . . . . . . . . 24.9 m -57.96 168.45 0.96 Allowed 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.893 1.277 . . . . 0.0 111.035 169.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 5.7 m -59.02 -22.3 60.45 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -179.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 368' ' ' HIS . . . . . . . . . . . . . 19.4 t60 47.51 -98.09 0.04 OUTLIER 'General case' 0 C--N 1.343 0.3 0 C-N-CA 126.749 2.02 . . . . 0.0 110.689 -171.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 369' ' ' LEU . . . . . 0.493 ' HG ' ' H ' ' B' ' 371' ' ' SER . 9.0 tp -158.96 140.97 13.7 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 105.111 -2.181 . . . . 0.0 105.111 -179.154 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 370' ' ' MLY . . . . . 0.445 HH12 ' CE3' ' A' 1495 ' ' TRP . . . . . . . . 0 CA--C 1.536 0.431 0 C-N-CA 125.693 1.597 . . . . 0.0 109.136 170.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 371' ' ' SER . . . . . 0.493 ' H ' ' HG ' ' B' ' 369' ' ' LEU . 0.8 OUTLIER 40.68 53.27 3.13 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 129.004 2.922 . . . . 0.0 116.224 169.013 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 372' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -136.5 139.2 42.12 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.412 0.685 . . . . 0.0 109.342 169.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 373' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -59.75 143.02 52.03 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 170.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 374' ' ' GLY . . . . . . . . . . . . . . . 113.1 -38.48 3.2 Favored Glycine 0 CA--C 1.527 0.842 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 -172.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -63.39 -40.98 98.68 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 169.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 50.3 m -143.2 156.09 44.68 Favored 'General case' 0 C--O 1.24 0.587 0 C-N-CA 127.751 2.421 . . . . 0.0 105.55 169.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 20.9 m . . . . . 0 C--O 1.253 1.271 0 N-CA-C 106.725 -1.583 . . . . 0.0 106.725 -174.128 . . . . . . . . 0 0 . 1 stop_ save_