data_1av3_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 1av3 _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.488 1.454 0 N-CA-C 106.307 -1.738 . . . . 0.0 106.307 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.92 133.66 39.17 Favored 'General case' 0 N--CA 1.5 2.034 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.464 -179.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 29.2 pt . . . . . 0 N--CA 1.494 1.729 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.95 -179.847 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 12.4 p30 . . . . . 0 N--CA 1.502 2.166 0 N-CA-C 115.738 1.755 . . . . 0.0 115.738 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -85.93 128.81 34.92 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.73 103.46 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.911 0 O-C-N 124.397 1.061 . . . . 0.0 112.552 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.683 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 26.4 p -132.52 144.89 50.74 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-N 114.055 -1.43 . . . . 0.0 110.033 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -89.24 136.57 32.95 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-N 114.489 -1.232 . . . . 0.0 108.433 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -56.15 -30.74 62.58 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-N 114.461 -1.245 . . . . 0.0 110.256 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -68.21 -35.91 78.72 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-N 114.48 -1.236 . . . . 0.0 110.341 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -129.8 62.48 1.55 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 124.405 1.066 . . . . 0.0 109.961 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -68.42 93.82 0.51 Allowed 'General case' 0 N--CA 1.498 1.942 0 CA-C-N 114.524 -1.216 . . . . 0.0 108.097 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -89.1 12.16 16.49 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-N 113.401 -1.727 . . . . 0.0 111.698 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.683 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 12.3 m -67.55 159.58 29.48 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.638 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 t -63.76 -36.07 82.68 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 106.647 -1.612 . . . . 0.0 106.647 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.6 p -89.43 -9.73 49.1 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-N 113.51 -1.677 . . . . 0.0 109.802 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 64.1 mtm-85 57.15 24.52 9.84 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 124.26 0.975 . . . . 0.0 110.078 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt -122.2 123.77 42.28 Favored 'General case' 0 N--CA 1.487 1.401 0 CA-C-N 114.487 -1.233 . . . . 0.0 109.18 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.492 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 98.9 m -119.64 118.65 31.51 Favored 'General case' 0 C--N 1.309 -1.164 0 N-CA-C 106.47 -1.678 . . . . 0.0 106.47 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.402 HD22 ' HB2' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -69.53 177.87 2.74 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 123.945 0.778 . . . . 0.0 112.96 -179.794 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.38 -17.51 20.87 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-N 113.994 -1.457 . . . . 0.0 113.262 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -89.47 16.04 8.29 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 123.716 0.635 . . . . 0.0 110.618 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 51.07 36.58 15.76 Favored 'General case' 0 N--CA 1.498 1.928 0 CA-C-N 115.069 -0.969 . . . . 0.0 111.364 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.402 ' HB2' HD22 ' A' ' 21' ' ' ASN . 36.6 mtmt -127.96 162.88 25.75 Favored 'General case' 0 N--CA 1.489 1.515 0 CA-C-N 113.268 -1.787 . . . . 0.0 106.311 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.508 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 66.7 m -73.69 171.97 12.3 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 119.126 -1.029 . . . . 0.0 111.323 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.3 t . . . . . 0 N--CA 1.493 1.709 0 CA-C-N 113.846 -1.525 . . . . 0.0 109.791 -179.947 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.436 ' HB3' ' HA ' ' A' ' 15' ' ' CYS . 0.9 OUTLIER -75.71 133.48 40.76 Favored 'General case' 0 N--CA 1.497 1.903 0 C-N-CA 120.192 -0.603 . . . . 0.0 109.625 -179.794 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.5 pt . . . . . 0 N--CA 1.494 1.772 0 CA-C-N 114.807 -1.088 . . . . 0.0 111.814 -179.773 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.7 p30 . . . . . 0 N--CA 1.501 2.109 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 11.4 tp60 -81.44 141.61 33.74 Favored 'General case' 0 N--CA 1.49 1.575 0 C-N-CA 120.524 -0.47 . . . . 0.0 110.199 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -51.95 116.47 2.18 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 124.598 1.186 . . . . 0.0 111.545 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.756 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 20.5 p -140.79 155.72 46.33 Favored 'General case' 0 N--CA 1.491 1.6 0 CA-C-N 114.648 -1.16 . . . . 0.0 109.964 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -105.61 150.23 25.59 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 124.741 1.275 . . . . 0.0 111.628 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -63.98 -31.85 73.18 Favored 'General case' 0 N--CA 1.486 1.353 0 CA-C-N 114.66 -1.155 . . . . 0.0 108.852 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -75.71 -46.77 29.3 Favored 'General case' 0 N--CA 1.493 1.681 0 CA-C-N 114.035 -1.438 . . . . 0.0 108.256 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.1 mt -113.87 70.92 0.73 Allowed 'General case' 0 N--CA 1.495 1.786 0 CA-C-N 114.641 -1.163 . . . . 0.0 108.506 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -86.34 80.73 8.61 Favored 'General case' 0 N--CA 1.496 1.826 0 CA-C-N 114.237 -1.347 . . . . 0.0 107.853 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -88.93 18.49 4.8 Favored 'General case' 0 N--CA 1.492 1.637 0 CA-C-N 113.54 -1.664 . . . . 0.0 111.886 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.756 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 70.8 m -66.97 152.63 45.39 Favored 'General case' 0 N--CA 1.488 1.475 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.704 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.5 t -63.26 -34.77 78.39 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 78.7 p -85.75 -20.05 29.86 Favored 'General case' 0 N--CA 1.485 1.292 0 CA-C-N 113.507 -1.679 . . . . 0.0 108.056 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.3 4.08 4.44 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 124.594 1.184 . . . . 0.0 110.662 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.6 mtpt -109.44 126.62 53.67 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 124.054 0.846 . . . . 0.0 109.762 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.605 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 98.4 m -120.37 119.7 33.86 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 124.043 0.839 . . . . 0.0 109.042 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.43 HD22 ' HB2' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -70.16 176.79 3.62 Favored 'General case' 0 N--CA 1.502 2.174 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 -63.32 -10.33 15.88 Favored 'General case' 0 N--CA 1.49 1.525 0 CA-C-N 115.373 -0.83 . . . . 0.0 112.564 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -89.14 8.58 29.33 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 124.082 0.864 . . . . 0.0 109.296 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 55.89 36.73 27.84 Favored 'General case' 0 N--CA 1.498 1.949 0 CA-C-O 122.068 0.937 . . . . 0.0 110.941 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.43 ' HB2' HD22 ' A' ' 21' ' ' ASN . 40.7 mtmt -129.54 159.79 35.25 Favored 'General case' 0 N--CA 1.488 1.44 0 CA-C-N 113.006 -1.906 . . . . 0.0 107.219 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 94.4 m -73.14 168.13 19.73 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 119.325 -0.95 . . . . 0.0 110.13 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 t . . . . . 0 N--CA 1.495 1.825 0 CA-C-O 116.425 -1.75 . . . . 0.0 110.482 -179.799 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.488 1.439 0 N-CA-C 105.394 -2.076 . . . . 0.0 105.394 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.15 161.59 29.83 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 113.82 1.045 . . . . 0.0 113.82 -179.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.2 pt . . . . . 0 N--CA 1.491 1.593 0 CA-C-N 114.512 -1.222 . . . . 0.0 111.37 179.992 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.501 2.094 0 N-CA-C 116.188 1.922 . . . . 0.0 116.188 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -71.43 135.26 47.13 Favored 'General case' 0 N--CA 1.494 1.77 0 C-N-CA 119.769 -0.772 . . . . 0.0 110.677 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? -51.79 107.28 0.19 Allowed 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.753 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 24.8 p -137.95 154.01 49.42 Favored 'General case' 0 N--CA 1.496 1.861 0 CA-C-N 114.305 -1.316 . . . . 0.0 109.552 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -89.44 148.91 23.2 Favored 'General case' 0 N--CA 1.496 1.83 0 CA-C-N 115.553 -0.748 . . . . 0.0 111.992 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 39.2 mm-40 -56.7 -16.72 6.87 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 113.924 -1.489 . . . . 0.0 111.978 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -105.24 -49.22 3.51 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 124.339 1.024 . . . . 0.0 108.284 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 53.4 mt -92.12 63.89 4.45 Favored 'General case' 0 N--CA 1.494 1.762 0 CA-C-O 122.266 1.031 . . . . 0.0 108.429 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -78.57 98.09 6.01 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-N 113.498 -1.683 . . . . 0.0 106.608 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.51 -12.18 43.63 Favored 'General case' 0 N--CA 1.493 1.716 0 CA-C-N 113.859 -1.519 . . . . 0.0 110.761 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.753 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 3.5 m -52.33 154.82 2.27 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 124.518 1.136 . . . . 0.0 113.715 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 t -71.24 -35.54 71.48 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 106.033 -1.84 . . . . 0.0 106.033 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.4 p -81.58 2.07 30.92 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-N 114.171 -1.377 . . . . 0.0 109.651 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 43.87 27.77 0.2 Allowed 'General case' 0 N--CA 1.502 2.148 0 O-C-N 124.82 1.325 . . . . 0.0 112.971 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 54.1 mttt -131.77 127.09 36.0 Favored 'General case' 0 N--CA 1.487 1.402 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.014 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.518 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 85.6 m -118.85 124.22 46.63 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 106.425 -1.694 . . . . 0.0 106.425 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 56.1 p30 -67.97 -172.42 0.29 Allowed 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.54 -14.7 62.18 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 114.745 -1.116 . . . . 0.0 113.705 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -89.2 13.77 12.51 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.3 m120 53.6 37.13 25.24 Favored 'General case' 0 N--CA 1.495 1.822 0 CA-C-O 122.1 0.952 . . . . 0.0 109.265 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -120.41 163.49 17.8 Favored 'General case' 0 N--CA 1.489 1.504 0 CA-C-N 112.667 -2.06 . . . . 0.0 106.269 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.613 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 16.2 m -79.84 175.35 10.71 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 119.676 -0.809 . . . . 0.0 111.533 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 40.2 t . . . . . 0 N--CA 1.495 1.795 0 CA-C-N 113.548 -1.66 . . . . 0.0 109.262 179.887 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.488 1.47 0 N-CA-C 106.073 -1.825 . . . . 0.0 106.073 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -77.38 148.8 35.34 Favored 'General case' 0 N--CA 1.501 2.088 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.633 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.494 1.731 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.58 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.503 2.187 0 N-CA-C 114.631 1.345 . . . . 0.0 114.631 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.4 125.66 27.17 Favored 'General case' 0 N--CA 1.497 1.891 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.213 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.61 103.44 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.026 0 O-C-N 124.22 0.95 . . . . 0.0 111.806 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.726 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 31.2 p -140.58 135.86 32.22 Favored 'General case' 0 N--CA 1.493 1.702 0 CA-C-N 114.112 -1.404 . . . . 0.0 109.366 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.408 ' H ' ' HB2' ' A' ' 12' ' ' LEU . 22.8 t80 -89.2 165.58 14.36 Favored 'General case' 0 N--CA 1.493 1.716 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.552 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -52.3 -43.06 64.27 Favored 'General case' 0 N--CA 1.488 1.47 0 CA-C-N 114.302 -1.317 . . . . 0.0 109.76 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 32.8 m-70 -83.05 -35.09 26.02 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-N 114.277 -1.329 . . . . 0.0 108.467 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.408 ' HB2' ' H ' ' A' ' 9' ' ' PHE . 59.5 mt -90.93 47.93 1.47 Allowed 'General case' 0 N--CA 1.496 1.863 0 O-C-N 124.218 0.949 . . . . 0.0 108.89 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.411 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 34.2 t70 -79.4 77.02 5.97 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-N 114.693 -1.139 . . . . 0.0 109.066 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -91.47 1.59 57.02 Favored 'General case' 0 N--CA 1.496 1.852 0 CA-C-N 113.111 -1.859 . . . . 0.0 113.184 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.726 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 4.4 m -62.03 158.87 15.52 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 t -73.76 -30.56 62.86 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-N 113.035 -1.893 . . . . 0.0 107.127 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.4 p -86.67 -12.96 46.87 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-N 113.485 -1.689 . . . . 0.0 108.894 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? 58.66 35.81 24.66 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 124.614 1.196 . . . . 0.0 109.116 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -137.27 123.82 20.93 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 114.303 -1.317 . . . . 0.0 110.143 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.57 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 79.9 m -122.65 115.04 21.43 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 106.157 -1.794 . . . . 0.0 106.157 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -68.55 176.1 3.1 Favored 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 -179.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -56.51 -17.93 9.93 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-N 113.489 -1.687 . . . . 0.0 113.558 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -89.46 16.08 8.22 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 123.826 0.704 . . . . 0.0 110.388 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.4 m120 51.07 38.51 20.89 Favored 'General case' 0 N--CA 1.495 1.824 0 CA-C-N 114.79 -1.096 . . . . 0.0 111.007 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.8 mttt -130.51 160.94 32.62 Favored 'General case' 0 N--CA 1.489 1.48 0 CA-C-N 113.303 -1.771 . . . . 0.0 106.553 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.589 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 55.1 m -71.13 172.19 9.63 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 119.291 -0.964 . . . . 0.0 111.62 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.7 t . . . . . 0 N--CA 1.493 1.707 0 CA-C-N 113.559 -1.655 . . . . 0.0 109.565 -179.834 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 105.658 -1.978 . . . . 0.0 105.658 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.4 tpp85 -73.97 145.51 44.59 Favored 'General case' 0 N--CA 1.5 2.051 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.643 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 pt . . . . . 0 N--CA 1.492 1.666 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.83 -179.882 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.502 2.157 0 N-CA-C 115.759 1.762 . . . . 0.0 115.759 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -74.79 127.2 32.59 Favored 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.697 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -47.21 103.1 0.04 OUTLIER 'General case' 0 N--CA 1.499 1.998 0 O-C-N 124.385 1.053 . . . . 0.0 113.276 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.737 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 27.8 p -140.17 154.15 46.86 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-N 114.784 -1.098 . . . . 0.0 110.402 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -89.87 148.57 23.09 Favored 'General case' 0 N--CA 1.497 1.92 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.529 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -56.06 -33.32 64.9 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-N 114.524 -1.216 . . . . 0.0 110.943 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 28.6 m-70 -84.66 -47.51 10.42 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 124.54 1.15 . . . . 0.0 108.513 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.1 mt -95.67 61.38 2.25 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-N 114.759 -1.11 . . . . 0.0 109.069 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.438 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 0.4 OUTLIER -78.45 99.32 6.38 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-N 114.176 -1.375 . . . . 0.0 107.586 179.866 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.61 -3.04 58.88 Favored 'General case' 0 N--CA 1.494 1.736 0 CA-C-N 113.329 -1.76 . . . . 0.0 110.928 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.737 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 3.7 m -60.54 157.28 14.55 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 113.65 0.981 . . . . 0.0 113.65 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.5 t -66.63 -35.31 79.88 Favored 'General case' 0 N--CA 1.487 1.402 0 CA-C-N 113.042 -1.89 . . . . 0.0 106.277 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.9 p -85.99 -10.6 54.83 Favored 'General case' 0 N--CA 1.486 1.335 0 CA-C-N 113.44 -1.709 . . . . 0.0 108.726 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.44 24.53 13.17 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 124.289 0.993 . . . . 0.0 110.48 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 41.0 mtmt -122.61 123.52 41.37 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.43 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.525 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 94.6 m -119.3 116.11 25.54 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 106.578 -1.638 . . . . 0.0 106.578 179.748 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -66.51 178.25 1.31 Allowed 'General case' 0 N--CA 1.5 2.072 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -58.89 -16.63 18.45 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-N 114.105 -1.407 . . . . 0.0 113.514 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -89.0 13.93 11.77 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 49.58 39.72 17.81 Favored 'General case' 0 N--CA 1.494 1.763 0 CA-C-N 114.678 -1.146 . . . . 0.0 110.555 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 64.8 mttt -129.19 162.18 28.41 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 105.415 -2.069 . . . . 0.0 105.415 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.614 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 44.2 m -72.34 172.55 10.16 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 119.148 -1.021 . . . . 0.0 112.586 -179.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.8 t . . . . . 0 N--CA 1.493 1.684 0 CA-C-N 113.311 -1.768 . . . . 0.0 109.584 -179.872 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 105.199 -2.149 . . . . 0.0 105.199 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -74.56 148.95 40.38 Favored 'General case' 0 N--CA 1.5 2.059 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.884 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.2 pt . . . . . 0 N--CA 1.491 1.581 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.806 -179.976 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.4 p30 . . . . . 0 N--CA 1.502 2.142 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.429 ' H ' ' HB2' ' A' ' 26' ' ' CYS . 1.6 tp60 -105.31 124.82 50.19 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.554 ' HZ2' ' HZ3' ' A' ' 25' ' ' LYS . 9.3 tppt? -49.64 99.1 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.846 0 O-C-N 124.124 0.89 . . . . 0.0 113.158 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.693 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 26.5 p -128.07 145.82 50.88 Favored 'General case' 0 N--CA 1.497 1.903 0 CA-C-N 114.565 -1.198 . . . . 0.0 109.719 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -89.56 151.08 22.13 Favored 'General case' 0 N--CA 1.494 1.744 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.734 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -60.61 -34.13 73.77 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-N 113.389 -1.732 . . . . 0.0 111.04 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -74.48 -16.43 60.85 Favored 'General case' 0 N--CA 1.495 1.803 0 CA-C-N 114.536 -1.211 . . . . 0.0 111.991 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -145.17 79.49 1.59 Allowed 'General case' 0 N--CA 1.498 1.969 0 CA-C-O 122.171 0.986 . . . . 0.0 110.392 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.84 95.37 6.02 Favored 'General case' 0 N--CA 1.494 1.725 0 CA-C-N 113.846 -1.524 . . . . 0.0 108.216 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.07 -5.47 57.82 Favored 'General case' 0 N--CA 1.495 1.798 0 CA-C-N 113.296 -1.775 . . . . 0.0 110.168 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.693 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 4.5 m -58.6 155.35 12.58 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 124.198 0.936 . . . . 0.0 113.267 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.5 t -67.09 -35.85 80.7 Favored 'General case' 0 N--CA 1.49 1.537 0 CA-C-N 113.416 -1.72 . . . . 0.0 106.587 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 86.4 p -80.77 -15.47 56.35 Favored 'General case' 0 N--CA 1.488 1.459 0 CA-C-N 114.204 -1.362 . . . . 0.0 108.774 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 63.35 22.04 13.09 Favored 'General case' 0 N--CA 1.499 1.976 0 CA-C-N 114.592 -1.185 . . . . 0.0 109.276 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.3 mttt -125.46 125.11 42.8 Favored 'General case' 0 N--CA 1.488 1.447 0 CA-C-N 114.468 -1.242 . . . . 0.0 110.439 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.54 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 77.4 m -118.35 117.18 28.38 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 105.507 -2.035 . . . . 0.0 105.507 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.3 p30 -68.6 -178.92 1.24 Allowed 'General case' 0 N--CA 1.498 1.965 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -16.48 52.07 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-N 114.257 -1.338 . . . . 0.0 113.757 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -88.97 13.61 12.46 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 19.6 m120 49.86 38.15 15.23 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 124.199 0.937 . . . . 0.0 109.195 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.554 ' HZ3' ' HZ2' ' A' ' 7' ' ' LYS . 10.0 mmtp -121.73 159.61 26.26 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-N 112.652 -2.067 . . . . 0.0 105.613 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.599 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 23.6 m -78.42 171.79 14.58 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 118.932 -1.107 . . . . 0.0 110.667 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 29.1 t . . . . . 0 N--CA 1.495 1.818 0 CA-C-N 113.365 -1.743 . . . . 0.0 109.363 179.963 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.488 1.456 0 N-CA-C 106.105 -1.813 . . . . 0.0 106.105 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 16.1 mtt180 -65.79 156.08 34.27 Favored 'General case' 0 N--CA 1.501 2.111 0 CA-C-N 115.58 -0.737 . . . . 0.0 112.708 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.8 pt . . . . . 0 N--CA 1.491 1.588 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.433 -179.936 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.504 2.26 0 N-CA-C 114.96 1.467 . . . . 0.0 114.96 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.18 125.24 22.8 Favored 'General case' 0 N--CA 1.499 2.002 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.38 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.7 mmtt -54.92 106.37 0.22 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 124.283 0.989 . . . . 0.0 111.219 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.703 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 16.8 p -140.06 157.54 45.49 Favored 'General case' 0 N--CA 1.494 1.737 0 CA-C-N 114.074 -1.421 . . . . 0.0 110.325 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -89.49 151.29 22.06 Favored 'General case' 0 N--CA 1.494 1.761 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.191 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -57.53 -15.77 8.05 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-N 113.941 -1.482 . . . . 0.0 111.756 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 16.0 m170 -105.3 -45.4 4.49 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 124.497 1.123 . . . . 0.0 108.501 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.0 mt -91.29 62.33 4.68 Favored 'General case' 0 N--CA 1.496 1.875 0 CA-C-N 114.878 -1.056 . . . . 0.0 108.662 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.425 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 3.9 m-20 -80.34 85.63 5.8 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-N 113.944 -1.48 . . . . 0.0 107.497 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.62 5.13 47.07 Favored 'General case' 0 N--CA 1.497 1.924 0 CA-C-N 112.832 -1.985 . . . . 0.0 111.689 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.703 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 6.1 m -64.6 159.77 21.12 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.212 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.5 t -64.23 -34.99 79.36 Favored 'General case' 0 N--CA 1.494 1.775 0 N-CA-C 106.444 -1.687 . . . . 0.0 106.444 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.8 p -84.54 -15.91 44.14 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 113.717 -1.583 . . . . 0.0 108.687 179.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 59.92 31.27 20.63 Favored 'General case' 0 N--CA 1.5 2.031 0 CA-C-N 114.417 -1.265 . . . . 0.0 109.741 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.7 mtpp -127.12 122.04 33.12 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-N 114.65 -1.159 . . . . 0.0 110.033 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.474 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 74.4 m -120.02 116.12 25.1 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 52.6 p30 -66.48 -176.96 0.5 Allowed 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.1 ptp85 -59.69 -20.75 58.36 Favored 'General case' 0 N--CA 1.487 1.384 0 CA-C-N 113.479 -1.691 . . . . 0.0 113.425 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -89.22 15.29 9.17 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 123.958 0.786 . . . . 0.0 109.596 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 50.09 38.05 15.87 Favored 'General case' 0 N--CA 1.498 1.961 0 CA-C-O 122.223 1.011 . . . . 0.0 110.452 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.1 mtmm -127.11 155.42 43.34 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 112.788 -2.005 . . . . 0.0 105.915 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.574 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 69.0 m -68.56 171.05 8.07 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 -179.687 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 46.6 t . . . . . 0 N--CA 1.496 1.843 0 CA-C-N 113.181 -1.827 . . . . 0.0 109.379 179.917 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.488 1.426 0 N-CA-C 105.367 -2.086 . . . . 0.0 105.367 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -66.68 154.88 39.5 Favored 'General case' 0 N--CA 1.501 2.084 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.73 0 CA-C-N 115.03 -0.986 . . . . 0.0 111.01 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.501 2.117 0 N-CA-C 115.739 1.755 . . . . 0.0 115.739 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -79.93 133.12 36.19 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.03 117.74 2.27 Favored 'General case' 0 N--CA 1.495 1.794 0 CA-C-O 122.369 1.081 . . . . 0.0 113.024 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.644 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 24.4 p -141.48 173.91 11.05 Favored 'General case' 0 N--CA 1.494 1.755 0 CA-C-N 113.743 -1.571 . . . . 0.0 109.964 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -112.41 136.73 51.54 Favored 'General case' 0 N--CA 1.494 1.746 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.663 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -57.09 -38.52 73.48 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 124.109 0.881 . . . . 0.0 109.398 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 30.0 t-80 -69.08 -45.12 71.09 Favored 'General case' 0 N--CA 1.491 1.604 0 CA-C-N 114.009 -1.45 . . . . 0.0 110.187 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.6 mt -111.97 70.37 0.71 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 124.552 1.157 . . . . 0.0 108.177 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -71.67 97.66 1.78 Allowed 'General case' 0 N--CA 1.489 1.487 0 CA-C-N 113.607 -1.633 . . . . 0.0 108.405 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.69 -10.02 49.95 Favored 'General case' 0 N--CA 1.491 1.605 0 CA-C-N 113.014 -1.903 . . . . 0.0 111.951 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.644 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 5.4 m -58.82 155.58 12.78 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 t -69.43 -34.93 75.17 Favored 'General case' 0 N--CA 1.492 1.654 0 CA-C-N 113.788 -1.551 . . . . 0.0 106.952 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 94.5 p -78.84 -13.39 59.83 Favored 'General case' 0 N--CA 1.488 1.441 0 CA-C-N 113.855 -1.521 . . . . 0.0 108.961 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.9 mtm105 59.44 28.05 17.33 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 124.546 1.154 . . . . 0.0 109.175 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -129.92 124.58 33.46 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 114.134 -1.394 . . . . 0.0 109.778 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.612 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 55.4 m -124.37 115.44 20.97 Favored 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 105.888 -1.893 . . . . 0.0 105.888 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.433 HD22 ' HB2' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -68.27 177.7 2.21 Favored 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 113.213 0.82 . . . . 0.0 113.213 -179.72 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.1 -13.47 17.47 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-N 114.103 -1.408 . . . . 0.0 113.254 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -89.68 12.52 16.68 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 50.0 42.51 24.72 Favored 'General case' 0 N--CA 1.494 1.76 0 CA-C-O 122.511 1.148 . . . . 0.0 110.235 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.433 ' HB2' HD22 ' A' ' 21' ' ' ASN . 5.4 mtpm? -132.11 163.83 27.63 Favored 'General case' 0 C--N 1.306 -1.283 0 CA-C-N 112.086 -2.325 . . . . 0.0 105.135 179.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.407 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 63.9 m -76.05 172.99 11.85 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 119.148 -1.021 . . . . 0.0 111.497 -179.684 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.3 t . . . . . 0 N--CA 1.493 1.678 0 CA-C-O 116.347 -1.787 . . . . 0.0 109.634 -179.909 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 105.649 -1.982 . . . . 0.0 105.649 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.64 155.81 39.93 Favored 'General case' 0 N--CA 1.502 2.162 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 -179.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 36.3 pt . . . . . 0 N--CA 1.491 1.61 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.352 -179.959 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 12.4 p30 . . . . . 0 N--CA 1.502 2.171 0 N-CA-C 116.642 2.09 . . . . 0.0 116.642 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -86.39 133.5 33.78 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -44.0 98.05 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.701 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 31.1 p -140.33 146.39 38.4 Favored 'General case' 0 N--CA 1.496 1.846 0 CA-C-N 114.305 -1.316 . . . . 0.0 108.491 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -89.18 157.3 18.32 Favored 'General case' 0 N--CA 1.494 1.749 0 CA-C-O 121.675 0.75 . . . . 0.0 112.466 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 -59.43 -16.68 25.1 Favored 'General case' 0 N--CA 1.489 1.504 0 CA-C-N 113.333 -1.758 . . . . 0.0 110.815 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -105.22 -33.28 8.29 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-N 114.676 -1.147 . . . . 0.0 108.721 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 73.4 mt -102.18 68.18 1.09 Allowed 'General case' 0 N--CA 1.495 1.781 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.877 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -83.98 92.79 7.92 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 113.624 -1.625 . . . . 0.0 110.344 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.95 -21.38 22.48 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-N 113.237 -1.801 . . . . 0.0 110.214 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.701 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 3.2 m -47.51 156.35 0.29 Allowed 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 -179.675 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 t -67.13 -38.23 85.2 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 105.948 -1.871 . . . . 0.0 105.948 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.4 p -80.62 -11.7 59.61 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-N 113.868 -1.515 . . . . 0.0 109.548 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.7 mmm-85 55.38 29.03 12.35 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 124.397 1.061 . . . . 0.0 110.349 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 78.8 mttt -125.12 123.67 40.2 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-N 114.218 -1.356 . . . . 0.0 108.807 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.479 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 95.6 m -122.59 115.57 22.37 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 106.572 -1.64 . . . . 0.0 106.572 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -68.05 176.34 2.7 Favored 'General case' 0 N--CA 1.496 1.83 0 CA-C-N 115.244 -0.889 . . . . 0.0 112.849 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -62.57 -12.27 21.71 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-N 114.153 -1.385 . . . . 0.0 113.142 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -89.33 12.56 15.82 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 51.75 40.73 28.22 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-N 114.695 -1.139 . . . . 0.0 111.174 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.6 mtmt -132.67 163.18 29.53 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 105.925 -1.879 . . . . 0.0 105.925 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.529 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 64.4 m -73.01 172.12 11.59 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 119.121 -1.032 . . . . 0.0 110.836 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.8 t . . . . . 0 N--CA 1.495 1.79 0 CA-C-O 117.155 -1.403 . . . . 0.0 109.939 -179.829 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.488 1.459 0 N-CA-C 105.628 -1.99 . . . . 0.0 105.628 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.15 154.96 39.97 Favored 'General case' 0 N--CA 1.501 2.11 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.1 pt . . . . . 0 N--CA 1.49 1.567 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.633 -179.825 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.504 2.24 0 N-CA-C 116.28 1.956 . . . . 0.0 116.28 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -81.33 136.79 35.78 Favored 'General case' 0 N--CA 1.495 1.798 0 C-N-CA 120.089 -0.645 . . . . 0.0 110.983 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -48.66 105.2 0.07 Allowed 'General case' 0 N--CA 1.496 1.854 0 O-C-N 124.642 1.214 . . . . 0.0 112.976 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.74 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 25.7 p -133.23 164.55 26.82 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-N 114.417 -1.265 . . . . 0.0 110.928 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -89.92 140.67 29.39 Favored 'General case' 0 N--CA 1.495 1.817 0 CA-C-N 114.629 -1.169 . . . . 0.0 111.275 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -58.56 -52.0 67.52 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-N 114.916 -1.038 . . . . 0.0 109.294 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -69.16 -54.53 14.43 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-N 113.537 -1.665 . . . . 0.0 111.065 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.7 mt -92.1 67.55 5.08 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-O 122.639 1.209 . . . . 0.0 107.99 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -69.02 97.8 0.9 Allowed 'General case' 0 N--CA 1.487 1.4 0 CA-C-N 112.421 -2.172 . . . . 0.0 108.183 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -88.57 -5.07 58.42 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-N 113.137 -1.847 . . . . 0.0 111.977 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.74 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 9.0 m -63.44 159.18 18.95 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 113.688 0.995 . . . . 0.0 113.688 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 t -74.05 -35.64 64.32 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 105.607 -1.997 . . . . 0.0 105.607 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.9 p -81.19 0.9 34.43 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-N 113.817 -1.538 . . . . 0.0 109.36 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 44.1 29.62 0.36 Allowed 'General case' 0 N--CA 1.5 2.033 0 O-C-N 125.117 1.51 . . . . 0.0 112.34 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 41.5 mtmt -134.57 126.23 28.86 Favored 'General case' 0 N--CA 1.485 1.276 0 CA-C-N 114.208 -1.36 . . . . 0.0 109.812 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.634 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 65.0 m -122.64 122.96 40.05 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 106.319 -1.734 . . . . 0.0 106.319 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -80.46 -175.85 5.39 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 114.704 1.372 . . . . 0.0 114.704 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -55.02 -25.22 28.79 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 116.913 2.19 . . . . 0.0 116.913 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -88.86 20.72 3.39 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 123.6 0.562 . . . . 0.0 109.505 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.3 m120 49.28 38.61 14.0 Favored 'General case' 0 N--CA 1.497 1.903 0 CA-C-N 114.624 -1.171 . . . . 0.0 110.253 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 71.7 mttt -123.49 169.5 11.33 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 112.914 -1.948 . . . . 0.0 107.142 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.509 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 56.2 m -79.42 175.09 10.92 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 119.993 -0.683 . . . . 0.0 112.309 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 78.5 t . . . . . 0 N--CA 1.496 1.868 0 CA-C-O 116.57 -1.681 . . . . 0.0 109.629 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 106.002 -1.851 . . . . 0.0 106.002 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 32.7 ttm-85 -78.21 137.5 38.16 Favored 'General case' 0 N--CA 1.5 2.046 0 CA-C-O 121.045 0.45 . . . . 0.0 111.124 -179.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 15.8 pt . . . . . 0 N--CA 1.494 1.736 0 CA-C-N 115.201 -0.909 . . . . 0.0 113.229 -179.756 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 . . . . . 0 N--CA 1.502 2.152 0 N-CA-C 115.734 1.754 . . . . 0.0 115.734 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -86.15 142.66 28.49 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.7 mmtm -50.84 104.96 0.09 Allowed 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.614 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 28.2 p -140.21 -165.47 1.91 Allowed 'General case' 0 N--CA 1.494 1.771 0 CA-C-N 114.51 -1.223 . . . . 0.0 109.186 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -136.24 151.55 49.8 Favored 'General case' 0 N--CA 1.499 1.992 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -59.15 -21.16 58.92 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-N 113.48 -1.691 . . . . 0.0 110.295 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 31.7 t-80 -98.52 -51.02 4.08 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.082 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.9 mt -93.88 66.39 3.65 Favored 'General case' 0 N--CA 1.495 1.791 0 CA-C-N 114.775 -1.102 . . . . 0.0 109.056 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -77.95 84.49 4.23 Favored 'General case' 0 N--CA 1.494 1.751 0 CA-C-N 113.339 -1.755 . . . . 0.0 108.072 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.28 5.4 45.11 Favored 'General case' 0 N--CA 1.497 1.892 0 CA-C-N 113.179 -1.828 . . . . 0.0 110.539 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.63 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 7.5 m -67.3 161.19 25.56 Favored 'General case' 0 N--CA 1.488 1.441 0 CA-C-N 115.293 -0.867 . . . . 0.0 112.52 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 t -67.06 -35.8 80.65 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 105.663 -1.977 . . . . 0.0 105.663 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.8 p -83.32 -16.19 47.13 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-N 113.777 -1.556 . . . . 0.0 108.6 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.1 ttp85 61.19 30.48 19.32 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-N 114.576 -1.193 . . . . 0.0 109.87 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp -131.38 124.55 30.55 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 114.332 -1.304 . . . . 0.0 109.679 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.63 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 94.9 m -122.61 120.25 33.18 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 106.89 -1.522 . . . . 0.0 106.89 179.649 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 56.8 p30 -70.87 -174.19 0.9 Allowed 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 113.55 0.945 . . . . 0.0 113.55 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -66.38 -17.96 65.08 Favored 'General case' 0 N--CA 1.485 1.275 0 CA-C-N 114.426 -1.261 . . . . 0.0 113.16 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -89.14 15.81 8.21 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 123.923 0.764 . . . . 0.0 110.138 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 49.64 37.54 12.97 Favored 'General case' 0 N--CA 1.497 1.911 0 CA-C-O 122.391 1.091 . . . . 0.0 110.909 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.7 mttt -124.4 151.62 44.22 Favored 'General case' 0 N--CA 1.486 1.336 0 CA-C-N 112.55 -2.114 . . . . 0.0 105.512 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.601 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 57.1 m -71.62 172.4 9.72 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 119.268 -0.973 . . . . 0.0 110.946 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 43.4 t . . . . . 0 N--CA 1.495 1.781 0 CA-C-O 116.302 -1.808 . . . . 0.0 109.642 -179.993 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.488 1.47 0 N-CA-C 105.366 -2.086 . . . . 0.0 105.366 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 9.4 mmt85 -78.01 161.08 27.75 Favored 'General case' 0 N--CA 1.5 2.026 0 N-CA-C 114.93 1.456 . . . . 0.0 114.93 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 40.3 pt . . . . . 0 N--CA 1.491 1.608 0 CA-C-N 113.725 -1.58 . . . . 0.0 111.209 -179.978 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.4 HD21 ' N ' ' A' ' 6' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.504 2.244 0 N-CA-C 114.023 1.119 . . . . 0.0 114.023 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.48 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 9.4 tp-100 -61.25 123.59 18.15 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 123.435 0.46 . . . . 0.0 109.774 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.31 103.53 0.08 Allowed 'General case' 0 N--CA 1.496 1.86 0 O-C-N 124.28 0.987 . . . . 0.0 110.474 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.763 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 29.3 p -140.61 144.12 35.61 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-N 114.096 -1.411 . . . . 0.0 110.507 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -89.73 155.77 18.98 Favored 'General case' 0 N--CA 1.491 1.625 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.692 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.3 mp0 -51.02 -35.89 36.66 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-N 113.922 -1.49 . . . . 0.0 111.254 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 26.5 m170 -85.76 -44.3 12.62 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.567 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mp -92.02 58.19 3.3 Favored 'General case' 0 N--CA 1.496 1.857 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.068 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.428 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 4.5 t0 -76.67 93.0 3.57 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-N 114.192 -1.367 . . . . 0.0 109.918 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.61 -1.33 57.99 Favored 'General case' 0 N--CA 1.493 1.699 0 CA-C-N 114.497 -1.228 . . . . 0.0 111.604 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.763 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 3.1 m -65.34 158.7 25.78 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 114.852 1.427 . . . . 0.0 114.852 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 t -78.3 -34.88 48.5 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 104.855 -2.276 . . . . 0.0 104.855 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 93.7 p -79.03 1.76 22.88 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-N 113.581 -1.645 . . . . 0.0 109.392 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 43.32 30.62 0.32 Allowed 'General case' 0 N--CA 1.5 2.064 0 O-C-N 124.789 1.306 . . . . 0.0 112.362 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 33.1 mttp -135.26 125.2 25.71 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-N 114.522 -1.217 . . . . 0.0 110.701 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.588 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 92.7 m -122.04 112.37 18.17 Favored 'General case' 0 N--CA 1.484 1.249 0 N-CA-C 105.792 -1.929 . . . . 0.0 105.792 179.762 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 55.7 p30 -62.79 -175.4 0.09 Allowed 'General case' 0 N--CA 1.497 1.921 0 N-CA-C 115.26 1.578 . . . . 0.0 115.26 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -18.28 65.12 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-N 113.437 -1.71 . . . . 0.0 113.182 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -89.29 12.29 16.5 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 123.873 0.733 . . . . 0.0 109.089 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.2 m120 51.73 42.62 29.98 Favored 'General case' 0 N--CA 1.496 1.86 0 CA-C-O 122.466 1.127 . . . . 0.0 109.288 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -130.96 156.12 45.64 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-N 112.31 -2.223 . . . . 0.0 105.958 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.616 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 57.4 m -71.45 169.86 14.48 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 119.365 -0.934 . . . . 0.0 112.509 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 41.5 t . . . . . 0 N--CA 1.495 1.788 0 CA-C-N 112.775 -2.011 . . . . 0.0 109.739 -179.975 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.496 0 N-CA-C 106.661 -1.607 . . . . 0.0 106.661 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -79.96 129.82 34.79 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 123.484 0.49 . . . . 0.0 109.68 -179.694 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 37.5 pt . . . . . 0 N--CA 1.494 1.751 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -179.735 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.502 2.139 0 N-CA-C 113.658 0.984 . . . . 0.0 113.658 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -64.71 135.82 56.27 Favored 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 120.349 -0.54 . . . . 0.0 109.578 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.64 119.71 7.06 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-O 122.541 1.162 . . . . 0.0 112.475 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.611 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 15.9 p -141.77 -159.02 0.92 Allowed 'General case' 0 N--CA 1.492 1.673 0 CA-C-N 113.109 -1.859 . . . . 0.0 107.867 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -146.3 153.08 40.15 Favored 'General case' 0 N--CA 1.495 1.784 0 CA-C-O 121.41 0.624 . . . . 0.0 111.09 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.43 ' NE2' ' H ' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -56.23 -29.68 61.32 Favored 'General case' 0 N--CA 1.492 1.634 0 CA-C-N 113.939 -1.482 . . . . 0.0 110.174 179.791 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -84.88 -58.03 2.87 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-N 114.218 -1.356 . . . . 0.0 108.189 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.8 mt -98.09 66.47 1.83 Allowed 'General case' 0 N--CA 1.495 1.777 0 CA-C-N 114.185 -1.37 . . . . 0.0 110.175 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.488 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 1.1 p-10 -87.07 88.63 7.75 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 106.287 -1.745 . . . . 0.0 106.287 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -88.88 11.02 19.15 Favored 'General case' 0 N--CA 1.493 1.699 0 CA-C-N 113.209 -1.814 . . . . 0.0 112.444 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.682 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 4.9 m -63.55 160.21 17.07 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.416 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 t -62.3 -35.54 79.34 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 106.683 -1.599 . . . . 0.0 106.683 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.8 p -90.39 -11.53 40.25 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-N 113.691 -1.595 . . . . 0.0 109.171 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.71 27.19 15.58 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 124.422 1.076 . . . . 0.0 109.742 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -118.34 121.42 40.33 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-N 114.216 -1.356 . . . . 0.0 108.764 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.682 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 87.5 m -123.84 115.81 21.94 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 56.0 p30 -65.26 -173.68 0.14 Allowed 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.8 ptp180 -68.75 -18.08 64.15 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 114.132 -1.395 . . . . 0.0 112.746 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -89.09 15.8 8.17 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 123.884 0.74 . . . . 0.0 110.076 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.6 m120 50.25 39.38 19.78 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 124.335 1.022 . . . . 0.0 110.418 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -125.52 154.58 41.9 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-N 112.742 -2.026 . . . . 0.0 105.992 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.611 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 43.0 m -74.83 170.54 15.71 Favored 'General case' 0 N--CA 1.485 1.325 0 CA-C-O 122.151 0.977 . . . . 0.0 111.772 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.6 t . . . . . 0 N--CA 1.496 1.846 0 CA-C-N 112.785 -2.007 . . . . 0.0 109.558 -179.996 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 105.25 -2.13 . . . . 0.0 105.25 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.51 153.46 42.9 Favored 'General case' 0 N--CA 1.501 2.075 0 N-CA-C 112.613 0.598 . . . . 0.0 112.613 -179.573 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.1 pt . . . . . 0 N--CA 1.491 1.62 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.738 -179.884 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.503 2.204 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.74 127.72 33.52 Favored 'General case' 0 N--CA 1.495 1.813 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.736 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -51.68 105.43 0.11 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 124.481 1.113 . . . . 0.0 111.475 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.64 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 9.6 p -132.66 159.55 39.27 Favored 'General case' 0 N--CA 1.495 1.819 0 CA-C-N 114.777 -1.101 . . . . 0.0 110.764 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -89.6 140.0 29.99 Favored 'General case' 0 N--CA 1.491 1.625 0 CA-C-N 114.437 -1.256 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -52.77 -31.27 37.46 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 124.458 1.099 . . . . 0.0 111.273 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 44.4 m-70 -83.35 -48.82 9.99 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-N 114.831 -1.077 . . . . 0.0 108.242 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.6 mt -91.17 55.81 2.96 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-N 114.619 -1.173 . . . . 0.0 109.539 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -78.97 87.1 4.79 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.88 1.05 55.98 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-N 113.226 -1.806 . . . . 0.0 111.465 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.64 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 6.7 m -55.55 161.13 2.14 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 124.02 0.825 . . . . 0.0 111.749 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 t -64.94 -35.55 81.52 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 91.5 p -87.06 -11.07 51.37 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-N 114.111 -1.404 . . . . 0.0 108.731 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 50.9 mtm180 56.85 31.22 19.24 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 124.46 1.1 . . . . 0.0 109.895 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.2 mttp -127.72 123.26 34.97 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-N 114.292 -1.322 . . . . 0.0 109.428 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.527 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 84.0 m -120.13 112.43 19.09 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 105.993 -1.854 . . . . 0.0 105.993 179.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 56.4 p30 -60.42 -173.98 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.065 0 N-CA-C 115.833 1.79 . . . . 0.0 115.833 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.6 ptt85 -64.11 -19.74 65.48 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-N 113.658 -1.61 . . . . 0.0 112.876 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -89.11 13.46 13.05 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 123.953 0.783 . . . . 0.0 109.575 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 13.5 m120 51.54 40.04 26.1 Favored 'General case' 0 N--CA 1.499 1.996 0 CA-C-O 121.998 0.904 . . . . 0.0 109.365 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 65.6 mttt -128.47 155.72 44.35 Favored 'General case' 0 N--CA 1.489 1.483 0 CA-C-N 113.02 -1.9 . . . . 0.0 106.635 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.596 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 57.9 m -69.4 170.12 11.07 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-O 122.145 0.974 . . . . 0.0 112.934 -179.671 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 47.0 t . . . . . 0 N--CA 1.496 1.854 0 CA-C-N 112.7 -2.046 . . . . 0.0 109.365 179.89 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 105.023 -2.214 . . . . 0.0 105.023 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.597 ' HE ' ' H ' ' A' ' 3' ' ' ILE . 0.0 OUTLIER -71.95 145.09 48.65 Favored 'General case' 0 N--CA 1.501 2.106 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -179.613 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.597 ' H ' ' HE ' ' A' ' 2' ' ' ARG . 9.9 pt . . . . . 0 N--CA 1.492 1.648 0 CA-C-N 114.664 -1.153 . . . . 0.0 111.773 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.503 2.206 0 N-CA-C 115.422 1.638 . . . . 0.0 115.422 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -74.41 129.45 37.8 Favored 'General case' 0 N--CA 1.499 1.982 0 C-N-CA 120.168 -0.613 . . . . 0.0 109.487 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.82 99.57 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 -179.752 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.673 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 28.4 p -140.73 138.98 34.59 Favored 'General case' 0 N--CA 1.496 1.831 0 CA-C-N 114.077 -1.42 . . . . 0.0 108.064 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -89.27 156.35 18.8 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-O 121.508 0.671 . . . . 0.0 111.195 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -56.34 -32.58 64.84 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-N 113.719 -1.582 . . . . 0.0 110.465 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -69.3 -33.71 73.59 Favored 'General case' 0 N--CA 1.494 1.771 0 CA-C-N 114.946 -1.025 . . . . 0.0 110.549 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.2 72.44 1.31 Allowed 'General case' 0 N--CA 1.497 1.892 0 O-C-N 124.432 1.082 . . . . 0.0 110.421 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.559 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 2.7 p-10 -88.87 80.38 7.15 Favored 'General case' 0 N--CA 1.496 1.861 0 CA-C-O 122.504 1.145 . . . . 0.0 108.612 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -89.36 13.52 13.38 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-N 113.403 -1.726 . . . . 0.0 111.918 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.673 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 17.6 m -62.63 171.01 2.21 Favored 'General case' 0 N--CA 1.492 1.673 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.989 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 t -69.1 -33.4 73.43 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 81.3 p -90.52 -10.49 43.35 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-N 113.396 -1.729 . . . . 0.0 108.99 179.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.06 33.81 23.57 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 124.386 1.054 . . . . 0.0 108.716 -179.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.85 125.04 30.8 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-N 114.161 -1.382 . . . . 0.0 110.178 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.574 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 87.5 m -124.04 115.63 21.5 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 106.477 -1.675 . . . . 0.0 106.477 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.416 HD22 ' HB2' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -66.78 176.55 1.96 Allowed 'General case' 0 N--CA 1.499 1.978 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -179.677 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -59.14 -14.78 11.4 Favored 'General case' 0 N--CA 1.486 1.353 0 CA-C-N 114.077 -1.419 . . . . 0.0 113.253 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -89.1 13.73 12.42 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 34.9 m120 50.46 41.23 24.79 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 124.377 1.048 . . . . 0.0 109.991 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.416 ' HB2' HD22 ' A' ' 21' ' ' ASN . 6.1 mtpm? -132.21 158.99 40.32 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 105.484 -2.043 . . . . 0.0 105.484 179.776 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.643 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 35.8 m -70.2 174.27 5.73 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 119.131 -1.027 . . . . 0.0 111.412 -179.708 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.7 t . . . . . 0 N--CA 1.492 1.642 0 CA-C-N 114.028 -1.442 . . . . 0.0 109.791 -179.805 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 104.838 -2.282 . . . . 0.0 104.838 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.1 mmt85 -77.34 164.42 25.54 Favored 'General case' 0 N--CA 1.503 2.193 0 N-CA-C 114.333 1.234 . . . . 0.0 114.333 -179.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.6 pt . . . . . 0 N--CA 1.492 1.673 0 CA-C-N 114.394 -1.276 . . . . 0.0 111.005 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.7 p30 . . . . . 0 N--CA 1.503 2.176 0 N-CA-C 117.234 2.309 . . . . 0.0 117.234 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.4 125.64 27.09 Favored 'General case' 0 N--CA 1.496 1.828 0 C-N-CA 120.249 -0.58 . . . . 0.0 110.054 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -49.29 100.86 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.84 0 O-C-N 124.51 1.131 . . . . 0.0 111.845 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.676 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 29.9 p -140.13 142.7 36.0 Favored 'General case' 0 N--CA 1.493 1.707 0 CA-C-N 113.71 -1.586 . . . . 0.0 108.358 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -89.0 160.3 17.18 Favored 'General case' 0 N--CA 1.494 1.754 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.822 -179.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -54.9 -17.84 4.16 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-N 113.552 -1.658 . . . . 0.0 111.542 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 29.0 t-80 -100.79 -39.96 7.56 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 124.357 1.035 . . . . 0.0 110.745 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.3 mt -97.14 65.12 1.99 Allowed 'General case' 0 N--CA 1.498 1.975 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.417 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -82.48 91.85 6.95 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-N 114.208 -1.36 . . . . 0.0 111.556 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -89.72 -17.35 28.45 Favored 'General case' 0 N--CA 1.494 1.744 0 CA-C-N 114.216 -1.356 . . . . 0.0 110.568 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.676 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 2.3 m -49.54 160.76 0.25 Allowed 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 t -69.64 -36.08 75.78 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 92.7 p -83.12 -9.8 59.01 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-N 113.937 -1.483 . . . . 0.0 109.124 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 54.81 31.92 16.58 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 124.498 1.124 . . . . 0.0 108.423 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.9 mttm -129.78 126.1 37.35 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-N 113.987 -1.46 . . . . 0.0 110.061 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 98.8 m -118.49 119.33 34.23 Favored 'General case' 0 C--N 1.308 -1.222 0 N-CA-C 106.389 -1.708 . . . . 0.0 106.389 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.426 HD22 ' HB2' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -69.3 176.96 3.02 Favored 'General case' 0 N--CA 1.498 1.968 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 -179.675 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 17.9 ptp180 -56.26 -18.98 12.09 Favored 'General case' 0 N--CA 1.489 1.476 0 CA-C-N 114.008 -1.451 . . . . 0.0 114.241 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -89.42 16.58 7.33 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 123.663 0.602 . . . . 0.0 110.31 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 50.21 38.95 18.62 Favored 'General case' 0 N--CA 1.494 1.767 0 CA-C-N 114.707 -1.133 . . . . 0.0 110.767 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.426 ' HB2' HD22 ' A' ' 21' ' ' ASN . 37.0 mtmt -127.04 164.24 21.98 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 105.946 -1.872 . . . . 0.0 105.946 179.7 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.596 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 22.9 m -74.22 172.95 10.87 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 119.092 -1.043 . . . . 0.0 112.651 -179.664 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.3 t . . . . . 0 N--CA 1.491 1.607 0 CA-C-N 112.887 -1.96 . . . . 0.0 109.512 -179.843 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.484 0 N-CA-C 105.913 -1.884 . . . . 0.0 105.913 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.404 ' CB ' ' HA ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER -59.68 138.72 57.66 Favored 'General case' 0 N--CA 1.503 2.182 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.78 -179.686 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.1 pt . . . . . 0 N--CA 1.491 1.584 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.55 179.927 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.502 2.147 0 N-CA-C 114.86 1.43 . . . . 0.0 114.86 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -72.98 130.49 40.48 Favored 'General case' 0 N--CA 1.498 1.926 0 C-N-CA 120.089 -0.644 . . . . 0.0 110.51 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.14 108.85 0.15 Allowed 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.692 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 24.4 p -140.23 157.83 44.98 Favored 'General case' 0 N--CA 1.495 1.822 0 CA-C-N 114.409 -1.268 . . . . 0.0 109.938 179.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -90.0 144.04 26.26 Favored 'General case' 0 N--CA 1.496 1.874 0 CA-C-N 114.795 -1.093 . . . . 0.0 110.532 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -57.02 -33.2 66.93 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-N 114.657 -1.156 . . . . 0.0 109.441 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 35.8 t-80 -79.78 -53.46 6.78 Favored 'General case' 0 N--CA 1.487 1.42 0 CA-C-N 113.784 -1.553 . . . . 0.0 110.195 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 mp -97.2 61.08 1.71 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 124.348 1.03 . . . . 0.0 108.981 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -80.23 84.61 5.88 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-N 113.439 -1.709 . . . . 0.0 107.564 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -88.64 19.12 4.12 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-N 113.893 -1.503 . . . . 0.0 111.058 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.692 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 32.5 m -68.15 163.18 23.17 Favored 'General case' 0 N--CA 1.485 1.308 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.279 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.4 t -66.25 -34.8 78.83 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 106.546 -1.65 . . . . 0.0 106.546 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.4 p -90.22 -9.59 47.52 Favored 'General case' 0 N--CA 1.486 1.327 0 CA-C-N 113.745 -1.57 . . . . 0.0 110.075 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.84 25.61 12.22 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 124.117 0.885 . . . . 0.0 110.399 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.7 mmtt -122.74 123.66 41.6 Favored 'General case' 0 N--CA 1.487 1.402 0 CA-C-N 114.738 -1.119 . . . . 0.0 109.556 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.649 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 84.5 m -125.44 112.65 16.53 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 106.992 -1.485 . . . . 0.0 106.992 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 52.8 p30 -64.6 -176.51 0.25 Allowed 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 114.81 1.411 . . . . 0.0 114.81 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -65.52 -17.16 64.35 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-N 113.672 -1.604 . . . . 0.0 112.992 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -89.22 13.78 12.5 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 123.94 0.775 . . . . 0.0 109.376 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 51.02 42.79 28.89 Favored 'General case' 0 N--CA 1.493 1.681 0 CA-C-N 114.685 -1.143 . . . . 0.0 110.229 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.3 mttt -133.72 154.3 51.06 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-N 112.799 -2.001 . . . . 0.0 106.88 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.551 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 75.8 m -67.56 169.92 8.48 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 119.611 -0.836 . . . . 0.0 112.055 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 39.9 t . . . . . 0 N--CA 1.495 1.785 0 CA-C-O 116.268 -1.825 . . . . 0.0 109.51 -179.942 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 105.462 -2.051 . . . . 0.0 105.462 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.546 ' HE ' HE21 ' A' ' 6' ' ' GLN . 5.2 mtp180 -75.45 154.42 37.04 Favored 'General case' 0 N--CA 1.502 2.169 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 -179.724 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.7 pt . . . . . 0 N--CA 1.496 1.856 0 CA-C-N 115.206 -0.907 . . . . 0.0 111.779 -179.915 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.7 p30 . . . . . 0 N--CA 1.504 2.251 0 N-CA-C 116.444 2.016 . . . . 0.0 116.444 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.546 HE21 ' HE ' ' A' ' 2' ' ' ARG . 0.8 OUTLIER -69.58 126.89 31.11 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 110.159 -0.311 . . . . 0.0 110.159 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.2 tptt -53.7 99.01 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.879 0 O-C-N 124.239 0.962 . . . . 0.0 112.494 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.705 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 25.9 p -137.26 137.6 39.2 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-N 114.252 -1.34 . . . . 0.0 107.914 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -88.87 153.84 20.73 Favored 'General case' 0 N--CA 1.493 1.684 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.378 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -49.23 -17.32 0.23 Allowed 'General case' 0 N--CA 1.495 1.791 0 CA-C-N 113.678 -1.601 . . . . 0.0 114.06 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 48.2 m-70 -90.64 -56.52 3.16 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.49 64.4 2.6 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-O 122.347 1.07 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.501 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 0.2 OUTLIER -84.47 79.91 9.4 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-N 113.561 -1.654 . . . . 0.0 106.732 179.773 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -89.0 23.51 2.37 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-N 113.56 -1.654 . . . . 0.0 111.917 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.705 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 12.7 m -73.09 163.07 28.69 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.675 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 t -69.34 -34.59 74.84 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 105.5 -2.037 . . . . 0.0 105.5 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 91.5 p -80.79 -12.13 59.49 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-N 113.679 -1.6 . . . . 0.0 107.277 179.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.46 20.73 10.42 Favored 'General case' 0 N--CA 1.496 1.852 0 CA-C-N 114.472 -1.24 . . . . 0.0 110.301 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.3 mttp -128.61 135.81 49.83 Favored 'General case' 0 N--CA 1.487 1.395 0 CA-C-N 114.594 -1.185 . . . . 0.0 111.17 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.511 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 86.6 m -122.39 128.32 50.8 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 106.405 -1.702 . . . . 0.0 106.405 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -79.03 -170.85 2.38 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.4 ptp85 -55.64 -28.19 53.98 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 116.883 2.179 . . . . 0.0 116.883 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -89.18 18.96 4.57 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 123.436 0.46 . . . . 0.0 110.488 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 49.96 44.36 25.45 Favored 'General case' 0 N--CA 1.497 1.914 0 CA-C-O 122.609 1.195 . . . . 0.0 108.881 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.3 mttt -124.95 164.87 19.17 Favored 'General case' 0 N--CA 1.487 1.413 0 CA-C-N 111.754 -2.476 . . . . 0.0 105.518 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.64 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 17.9 m -80.05 176.1 10.04 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 119.503 -0.879 . . . . 0.0 112.982 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.2 t . . . . . 0 N--CA 1.495 1.8 0 CA-C-O 116.352 -1.785 . . . . 0.0 109.599 -179.895 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 105.009 -2.219 . . . . 0.0 105.009 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.417 HH11 ' NE2' ' A' ' 6' ' ' GLN . 0.0 OUTLIER -76.28 167.53 21.7 Favored 'General case' 0 N--CA 1.503 2.2 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 -179.51 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.492 1.63 0 CA-C-N 113.789 -1.55 . . . . 0.0 111.583 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.505 2.307 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.562 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 8.8 tp-100 -56.01 119.82 6.48 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 123.266 0.354 . . . . 0.0 110.171 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.0 tptt -57.32 98.32 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.833 0 O-C-N 124.348 1.03 . . . . 0.0 110.227 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.669 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 9.0 p -127.32 153.38 46.25 Favored 'General case' 0 N--CA 1.495 1.809 0 CA-C-N 113.972 -1.467 . . . . 0.0 110.34 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -88.92 150.96 22.6 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -44.19 -38.34 3.69 Favored 'General case' 0 N--CA 1.494 1.732 0 CA-C-N 113.638 -1.619 . . . . 0.0 112.681 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -90.79 -39.18 12.52 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 124.061 0.851 . . . . 0.0 110.145 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 23.0 mt -89.88 58.89 4.38 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 124.192 0.932 . . . . 0.0 110.466 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.521 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 0.2 OUTLIER -81.7 99.77 9.11 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-N 114.482 -1.235 . . . . 0.0 108.832 179.891 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.08 -9.96 49.18 Favored 'General case' 0 N--CA 1.493 1.715 0 CA-C-N 113.226 -1.806 . . . . 0.0 110.838 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.708 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 2.2 m -52.44 151.76 3.93 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 124.405 1.066 . . . . 0.0 112.17 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 t -62.46 -41.44 98.76 Favored 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 87.9 p -77.62 -9.47 58.97 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-N 114.145 -1.389 . . . . 0.0 109.664 179.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.56 19.29 10.25 Favored 'General case' 0 N--CA 1.499 2.003 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.483 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 41.0 mttm -109.85 120.36 42.22 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.616 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.708 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 99.4 m -123.7 113.69 18.96 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 179.66 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 52.4 p30 -66.11 -176.07 0.38 Allowed 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 115.057 1.503 . . . . 0.0 115.057 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.94 -18.5 64.31 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-N 113.743 -1.571 . . . . 0.0 112.913 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -89.17 13.79 12.39 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 50.8 37.68 17.64 Favored 'General case' 0 N--CA 1.495 1.798 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.627 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -125.67 152.32 45.39 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-N 113.11 -1.859 . . . . 0.0 106.192 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.669 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 55.4 m -70.22 170.44 11.64 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-O 122.151 0.977 . . . . 0.0 113.39 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.8 t . . . . . 0 N--CA 1.494 1.774 0 CA-C-N 112.465 -2.152 . . . . 0.0 109.141 179.891 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.488 1.438 0 N-CA-C 105.834 -1.913 . . . . 0.0 105.834 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -72.26 160.68 31.99 Favored 'General case' 0 N--CA 1.5 2.051 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.562 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 pt . . . . . 0 N--CA 1.493 1.688 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.686 -179.83 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.504 2.257 0 N-CA-C 116.532 2.049 . . . . 0.0 116.532 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -75.19 141.14 43.65 Favored 'General case' 0 N--CA 1.498 1.957 0 C-N-CA 120.089 -0.644 . . . . 0.0 111.8 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.0 tptp -52.78 107.15 0.2 Allowed 'General case' 0 N--CA 1.497 1.894 0 CA-C-N 114.72 -1.127 . . . . 0.0 111.817 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.644 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 25.5 p -137.48 143.35 41.69 Favored 'General case' 0 N--CA 1.492 1.661 0 CA-C-N 114.368 -1.287 . . . . 0.0 109.361 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -89.67 133.16 34.79 Favored 'General case' 0 N--CA 1.494 1.73 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.304 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -52.2 -28.38 18.14 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 124.517 1.135 . . . . 0.0 112.444 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 53.5 m-70 -68.93 -41.02 78.66 Favored 'General case' 0 N--CA 1.496 1.848 0 CA-C-N 114.902 -1.044 . . . . 0.0 110.41 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.33 78.35 1.65 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 124.379 1.05 . . . . 0.0 108.799 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -67.84 96.49 0.58 Allowed 'General case' 0 N--CA 1.489 1.505 0 CA-C-N 114.08 -1.418 . . . . 0.0 107.741 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -88.27 -0.35 57.03 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-N 113.549 -1.659 . . . . 0.0 112.383 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.678 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 5.2 m -68.26 156.31 37.92 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 123.614 0.571 . . . . 0.0 112.155 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 t -71.81 -33.82 68.84 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 105.687 -1.968 . . . . 0.0 105.687 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 83.5 p -82.35 0.63 40.9 Favored 'General case' 0 N--CA 1.486 1.356 0 CA-C-N 113.573 -1.648 . . . . 0.0 109.453 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.424 HH12 ' HZ2' ' A' ' 19' ' ' LYS . 41.2 ptt85 43.33 31.84 0.43 Allowed 'General case' 0 N--CA 1.501 2.11 0 O-C-N 124.824 1.327 . . . . 0.0 112.353 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.424 ' HZ2' HH12 ' A' ' 18' ' ' ARG . 15.6 mttp -132.87 125.78 30.74 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-N 114.2 -1.364 . . . . 0.0 110.074 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.678 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 65.3 m -127.04 116.33 20.56 Favored 'General case' 0 N--CA 1.485 1.282 0 N-CA-C 107.518 -1.289 . . . . 0.0 107.518 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 55.8 p30 -66.04 -174.92 0.28 Allowed 'General case' 0 N--CA 1.498 1.955 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -65.04 -20.81 66.67 Favored 'General case' 0 N--CA 1.484 1.267 0 CA-C-N 113.875 -1.511 . . . . 0.0 113.497 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -89.02 17.61 5.64 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 123.997 0.811 . . . . 0.0 110.347 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 51.1 39.09 22.56 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 124.176 0.923 . . . . 0.0 110.073 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? -125.73 154.9 41.79 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-N 113.425 -1.716 . . . . 0.0 106.446 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.516 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 65.9 m -71.29 172.82 8.67 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 119.495 -0.882 . . . . 0.0 110.663 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 23.4 t . . . . . 0 N--CA 1.498 1.955 0 CA-C-O 116.461 -1.733 . . . . 0.0 110.171 180.0 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.488 1.454 0 N-CA-C 106.307 -1.738 . . . . 0.0 106.307 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.92 133.66 39.17 Favored 'General case' 0 N--CA 1.5 2.034 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.464 -179.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 29.2 pt -59.33 158.09 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.95 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . 0.406 ' C ' ' H ' ' A' ' 6' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 12.4 p30 48.89 10.76 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.166 0 N-CA-C 115.738 1.755 . . . . 0.0 115.738 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.406 ' H ' ' C ' ' A' ' 4' ' ' HYP . 7.0 tp60 -85.93 128.81 34.92 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.73 103.46 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.911 0 O-C-N 124.397 1.061 . . . . 0.0 112.552 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.683 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 26.4 p -132.52 144.89 50.74 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-N 114.055 -1.43 . . . . 0.0 110.033 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -89.24 136.57 32.95 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-N 114.489 -1.232 . . . . 0.0 108.433 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -56.15 -30.74 62.58 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-N 114.461 -1.245 . . . . 0.0 110.256 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -68.21 -35.91 78.72 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-N 114.48 -1.236 . . . . 0.0 110.341 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -129.8 62.48 1.55 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 124.405 1.066 . . . . 0.0 109.961 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -68.42 93.82 0.51 Allowed 'General case' 0 N--CA 1.498 1.942 0 CA-C-N 114.524 -1.216 . . . . 0.0 108.097 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -89.1 12.16 16.49 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-N 113.401 -1.727 . . . . 0.0 111.698 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.683 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 12.3 m -67.55 159.58 29.48 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.638 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 t -63.76 -36.07 82.68 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 106.647 -1.612 . . . . 0.0 106.647 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.6 p -89.43 -9.73 49.1 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-N 113.51 -1.677 . . . . 0.0 109.802 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 64.1 mtm-85 57.15 24.52 9.84 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 124.26 0.975 . . . . 0.0 110.078 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt -122.2 123.77 42.28 Favored 'General case' 0 N--CA 1.487 1.401 0 CA-C-N 114.487 -1.233 . . . . 0.0 109.18 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.492 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 98.9 m -119.64 118.65 31.51 Favored 'General case' 0 C--N 1.309 -1.164 0 N-CA-C 106.47 -1.678 . . . . 0.0 106.47 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.402 HD22 ' HB2' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -69.53 177.87 2.74 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 123.945 0.778 . . . . 0.0 112.96 -179.794 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.38 -17.51 20.87 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-N 113.994 -1.457 . . . . 0.0 113.262 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -89.47 16.04 8.29 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 123.716 0.635 . . . . 0.0 110.618 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 51.07 36.58 15.76 Favored 'General case' 0 N--CA 1.498 1.928 0 CA-C-N 115.069 -0.969 . . . . 0.0 111.364 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.402 ' HB2' HD22 ' A' ' 21' ' ' ASN . 36.6 mtmt -127.96 162.88 25.75 Favored 'General case' 0 N--CA 1.489 1.515 0 CA-C-N 113.268 -1.787 . . . . 0.0 106.311 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.508 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 66.7 m -73.69 171.97 12.3 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 119.126 -1.029 . . . . 0.0 111.323 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.3 t . . . . . 0 N--CA 1.493 1.709 0 CA-C-N 113.846 -1.525 . . . . 0.0 109.791 -179.947 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.436 ' HB3' ' HA ' ' A' ' 15' ' ' CYS . 0.9 OUTLIER -75.71 133.48 40.76 Favored 'General case' 0 N--CA 1.497 1.903 0 C-N-CA 120.192 -0.603 . . . . 0.0 109.625 -179.794 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.5 pt -62.65 157.55 3.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 CA-C-N 114.807 -1.088 . . . . 0.0 111.814 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . 0.423 ' C ' ' H ' ' A' ' 6' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.7 p30 52.39 7.96 0.07 Allowed 'General case' 0 N--CA 1.501 2.109 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.423 ' H ' ' C ' ' A' ' 4' ' ' HYP . 11.4 tp60 -81.44 141.61 33.74 Favored 'General case' 0 N--CA 1.49 1.575 0 C-N-CA 120.524 -0.47 . . . . 0.0 110.199 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -51.95 116.47 2.18 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 124.598 1.186 . . . . 0.0 111.545 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.756 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 20.5 p -140.79 155.72 46.33 Favored 'General case' 0 N--CA 1.491 1.6 0 CA-C-N 114.648 -1.16 . . . . 0.0 109.964 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -105.61 150.23 25.59 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 124.741 1.275 . . . . 0.0 111.628 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -63.98 -31.85 73.18 Favored 'General case' 0 N--CA 1.486 1.353 0 CA-C-N 114.66 -1.155 . . . . 0.0 108.852 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -75.71 -46.77 29.3 Favored 'General case' 0 N--CA 1.493 1.681 0 CA-C-N 114.035 -1.438 . . . . 0.0 108.256 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.1 mt -113.87 70.92 0.73 Allowed 'General case' 0 N--CA 1.495 1.786 0 CA-C-N 114.641 -1.163 . . . . 0.0 108.506 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -86.34 80.73 8.61 Favored 'General case' 0 N--CA 1.496 1.826 0 CA-C-N 114.237 -1.347 . . . . 0.0 107.853 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -88.93 18.49 4.8 Favored 'General case' 0 N--CA 1.492 1.637 0 CA-C-N 113.54 -1.664 . . . . 0.0 111.886 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.756 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 70.8 m -66.97 152.63 45.39 Favored 'General case' 0 N--CA 1.488 1.475 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.704 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.5 t -63.26 -34.77 78.39 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 78.7 p -85.75 -20.05 29.86 Favored 'General case' 0 N--CA 1.485 1.292 0 CA-C-N 113.507 -1.679 . . . . 0.0 108.056 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.3 4.08 4.44 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 124.594 1.184 . . . . 0.0 110.662 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.6 mtpt -109.44 126.62 53.67 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 124.054 0.846 . . . . 0.0 109.762 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.605 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 98.4 m -120.37 119.7 33.86 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 124.043 0.839 . . . . 0.0 109.042 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.43 HD22 ' HB2' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -70.16 176.79 3.62 Favored 'General case' 0 N--CA 1.502 2.174 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 -63.32 -10.33 15.88 Favored 'General case' 0 N--CA 1.49 1.525 0 CA-C-N 115.373 -0.83 . . . . 0.0 112.564 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -89.14 8.58 29.33 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 124.082 0.864 . . . . 0.0 109.296 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 55.89 36.73 27.84 Favored 'General case' 0 N--CA 1.498 1.949 0 CA-C-O 122.068 0.937 . . . . 0.0 110.941 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.43 ' HB2' HD22 ' A' ' 21' ' ' ASN . 40.7 mtmt -129.54 159.79 35.25 Favored 'General case' 0 N--CA 1.488 1.44 0 CA-C-N 113.006 -1.906 . . . . 0.0 107.219 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 94.4 m -73.14 168.13 19.73 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 119.325 -0.95 . . . . 0.0 110.13 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 t . . . . . 0 N--CA 1.495 1.825 0 CA-C-O 116.425 -1.75 . . . . 0.0 110.482 -179.799 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.488 1.439 0 N-CA-C 105.394 -2.076 . . . . 0.0 105.394 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.15 161.59 29.83 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 113.82 1.045 . . . . 0.0 113.82 -179.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.2 pt -78.24 157.17 5.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 CA-C-N 114.512 -1.222 . . . . 0.0 111.37 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . 0.417 ' C ' ' H ' ' A' ' 6' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 58.96 -7.8 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.094 0 N-CA-C 116.188 1.922 . . . . 0.0 116.188 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.417 ' H ' ' C ' ' A' ' 4' ' ' HYP . 9.4 tp-100 -71.43 135.26 47.13 Favored 'General case' 0 N--CA 1.494 1.77 0 C-N-CA 119.769 -0.772 . . . . 0.0 110.677 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? -51.79 107.28 0.19 Allowed 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.753 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 24.8 p -137.95 154.01 49.42 Favored 'General case' 0 N--CA 1.496 1.861 0 CA-C-N 114.305 -1.316 . . . . 0.0 109.552 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -89.44 148.91 23.2 Favored 'General case' 0 N--CA 1.496 1.83 0 CA-C-N 115.553 -0.748 . . . . 0.0 111.992 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 39.2 mm-40 -56.7 -16.72 6.87 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 113.924 -1.489 . . . . 0.0 111.978 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -105.24 -49.22 3.51 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 124.339 1.024 . . . . 0.0 108.284 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 53.4 mt -92.12 63.89 4.45 Favored 'General case' 0 N--CA 1.494 1.762 0 CA-C-O 122.266 1.031 . . . . 0.0 108.429 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -78.57 98.09 6.01 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-N 113.498 -1.683 . . . . 0.0 106.608 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.51 -12.18 43.63 Favored 'General case' 0 N--CA 1.493 1.716 0 CA-C-N 113.859 -1.519 . . . . 0.0 110.761 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.753 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 3.5 m -52.33 154.82 2.27 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 124.518 1.136 . . . . 0.0 113.715 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 t -71.24 -35.54 71.48 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 106.033 -1.84 . . . . 0.0 106.033 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.4 p -81.58 2.07 30.92 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-N 114.171 -1.377 . . . . 0.0 109.651 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 43.87 27.77 0.2 Allowed 'General case' 0 N--CA 1.502 2.148 0 O-C-N 124.82 1.325 . . . . 0.0 112.971 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 54.1 mttt -131.77 127.09 36.0 Favored 'General case' 0 N--CA 1.487 1.402 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.014 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.518 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 85.6 m -118.85 124.22 46.63 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 106.425 -1.694 . . . . 0.0 106.425 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 56.1 p30 -67.97 -172.42 0.29 Allowed 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.54 -14.7 62.18 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 114.745 -1.116 . . . . 0.0 113.705 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -89.2 13.77 12.51 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.3 m120 53.6 37.13 25.24 Favored 'General case' 0 N--CA 1.495 1.822 0 CA-C-O 122.1 0.952 . . . . 0.0 109.265 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -120.41 163.49 17.8 Favored 'General case' 0 N--CA 1.489 1.504 0 CA-C-N 112.667 -2.06 . . . . 0.0 106.269 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.613 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 16.2 m -79.84 175.35 10.71 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 119.676 -0.809 . . . . 0.0 111.533 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 40.2 t . . . . . 0 N--CA 1.495 1.795 0 CA-C-N 113.548 -1.66 . . . . 0.0 109.262 179.887 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.488 1.47 0 N-CA-C 106.073 -1.825 . . . . 0.0 106.073 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -77.38 148.8 35.34 Favored 'General case' 0 N--CA 1.501 2.088 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.633 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -73.12 161.79 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.58 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . 0.422 ' C ' ' H ' ' A' ' 6' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 64.36 -7.89 0.22 Allowed 'General case' 0 N--CA 1.503 2.187 0 O-C-N 125.111 1.507 . . . . 0.0 114.631 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.422 ' H ' ' C ' ' A' ' 4' ' ' HYP . 0.8 OUTLIER -68.4 125.66 27.17 Favored 'General case' 0 N--CA 1.497 1.891 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.213 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.61 103.44 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.026 0 O-C-N 124.22 0.95 . . . . 0.0 111.806 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.726 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 31.2 p -140.58 135.86 32.22 Favored 'General case' 0 N--CA 1.493 1.702 0 CA-C-N 114.112 -1.404 . . . . 0.0 109.366 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.408 ' H ' ' HB2' ' A' ' 12' ' ' LEU . 22.8 t80 -89.2 165.58 14.36 Favored 'General case' 0 N--CA 1.493 1.716 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.552 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -52.3 -43.06 64.27 Favored 'General case' 0 N--CA 1.488 1.47 0 CA-C-N 114.302 -1.317 . . . . 0.0 109.76 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 32.8 m-70 -83.05 -35.09 26.02 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-N 114.277 -1.329 . . . . 0.0 108.467 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.408 ' HB2' ' H ' ' A' ' 9' ' ' PHE . 59.5 mt -90.93 47.93 1.47 Allowed 'General case' 0 N--CA 1.496 1.863 0 O-C-N 124.218 0.949 . . . . 0.0 108.89 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.411 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 34.2 t70 -79.4 77.02 5.97 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-N 114.693 -1.139 . . . . 0.0 109.066 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -91.47 1.59 57.02 Favored 'General case' 0 N--CA 1.496 1.852 0 CA-C-N 113.111 -1.859 . . . . 0.0 113.184 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.726 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 4.4 m -62.03 158.87 15.52 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 t -73.76 -30.56 62.86 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-N 113.035 -1.893 . . . . 0.0 107.127 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.4 p -86.67 -12.96 46.87 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-N 113.485 -1.689 . . . . 0.0 108.894 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? 58.66 35.81 24.66 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 124.614 1.196 . . . . 0.0 109.116 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -137.27 123.82 20.93 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 114.303 -1.317 . . . . 0.0 110.143 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.57 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 79.9 m -122.65 115.04 21.43 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 106.157 -1.794 . . . . 0.0 106.157 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -68.55 176.1 3.1 Favored 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 -179.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -56.51 -17.93 9.93 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-N 113.489 -1.687 . . . . 0.0 113.558 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -89.46 16.08 8.22 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 123.826 0.704 . . . . 0.0 110.388 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.4 m120 51.07 38.51 20.89 Favored 'General case' 0 N--CA 1.495 1.824 0 CA-C-N 114.79 -1.096 . . . . 0.0 111.007 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.8 mttt -130.51 160.94 32.62 Favored 'General case' 0 N--CA 1.489 1.48 0 CA-C-N 113.303 -1.771 . . . . 0.0 106.553 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.589 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 55.1 m -71.13 172.19 9.63 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 119.291 -0.964 . . . . 0.0 111.62 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.7 t . . . . . 0 N--CA 1.493 1.707 0 CA-C-N 113.559 -1.655 . . . . 0.0 109.565 -179.834 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 105.658 -1.978 . . . . 0.0 105.658 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.4 tpp85 -73.97 145.51 44.59 Favored 'General case' 0 N--CA 1.5 2.051 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.643 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 pt -72.81 160.53 5.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.83 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . 0.4 ' C ' ' H ' ' A' ' 6' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 60.07 -2.72 0.14 Allowed 'General case' 0 N--CA 1.502 2.157 0 N-CA-C 115.759 1.762 . . . . 0.0 115.759 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.4 ' H ' ' C ' ' A' ' 4' ' ' HYP . 0.4 OUTLIER -74.79 127.2 32.59 Favored 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.697 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -47.21 103.1 0.04 OUTLIER 'General case' 0 N--CA 1.499 1.998 0 O-C-N 124.385 1.053 . . . . 0.0 113.276 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.737 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 27.8 p -140.17 154.15 46.86 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-N 114.784 -1.098 . . . . 0.0 110.402 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -89.87 148.57 23.09 Favored 'General case' 0 N--CA 1.497 1.92 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.529 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -56.06 -33.32 64.9 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-N 114.524 -1.216 . . . . 0.0 110.943 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 28.6 m-70 -84.66 -47.51 10.42 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 124.54 1.15 . . . . 0.0 108.513 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.1 mt -95.67 61.38 2.25 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-N 114.759 -1.11 . . . . 0.0 109.069 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.438 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 0.4 OUTLIER -78.45 99.32 6.38 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-N 114.176 -1.375 . . . . 0.0 107.586 179.866 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.61 -3.04 58.88 Favored 'General case' 0 N--CA 1.494 1.736 0 CA-C-N 113.329 -1.76 . . . . 0.0 110.928 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.737 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 3.7 m -60.54 157.28 14.55 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 113.65 0.981 . . . . 0.0 113.65 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.5 t -66.63 -35.31 79.88 Favored 'General case' 0 N--CA 1.487 1.402 0 CA-C-N 113.042 -1.89 . . . . 0.0 106.277 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.9 p -85.99 -10.6 54.83 Favored 'General case' 0 N--CA 1.486 1.335 0 CA-C-N 113.44 -1.709 . . . . 0.0 108.726 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.44 24.53 13.17 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 124.289 0.993 . . . . 0.0 110.48 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 41.0 mtmt -122.61 123.52 41.37 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.43 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.525 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 94.6 m -119.3 116.11 25.54 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 106.578 -1.638 . . . . 0.0 106.578 179.748 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -66.51 178.25 1.31 Allowed 'General case' 0 N--CA 1.5 2.072 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -58.89 -16.63 18.45 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-N 114.105 -1.407 . . . . 0.0 113.514 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -89.0 13.93 11.77 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 49.58 39.72 17.81 Favored 'General case' 0 N--CA 1.494 1.763 0 CA-C-N 114.678 -1.146 . . . . 0.0 110.555 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 64.8 mttt -129.19 162.18 28.41 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 105.415 -2.069 . . . . 0.0 105.415 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.614 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 44.2 m -72.34 172.55 10.16 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 119.148 -1.021 . . . . 0.0 112.586 -179.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.8 t . . . . . 0 N--CA 1.493 1.684 0 CA-C-N 113.311 -1.768 . . . . 0.0 109.584 -179.872 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 105.199 -2.149 . . . . 0.0 105.199 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -74.56 148.95 40.38 Favored 'General case' 0 N--CA 1.5 2.059 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.884 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.2 pt -68.49 157.89 6.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.806 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.4 p30 46.24 26.39 0.45 Allowed 'General case' 0 N--CA 1.502 2.142 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.429 ' H ' ' HB2' ' A' ' 26' ' ' CYS . 1.6 tp60 -105.31 124.82 50.19 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.554 ' HZ2' ' HZ3' ' A' ' 25' ' ' LYS . 9.3 tppt? -49.64 99.1 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.846 0 O-C-N 124.124 0.89 . . . . 0.0 113.158 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.693 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 26.5 p -128.07 145.82 50.88 Favored 'General case' 0 N--CA 1.497 1.903 0 CA-C-N 114.565 -1.198 . . . . 0.0 109.719 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -89.56 151.08 22.13 Favored 'General case' 0 N--CA 1.494 1.744 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.734 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -60.61 -34.13 73.77 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-N 113.389 -1.732 . . . . 0.0 111.04 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -74.48 -16.43 60.85 Favored 'General case' 0 N--CA 1.495 1.803 0 CA-C-N 114.536 -1.211 . . . . 0.0 111.991 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -145.17 79.49 1.59 Allowed 'General case' 0 N--CA 1.498 1.969 0 CA-C-O 122.171 0.986 . . . . 0.0 110.392 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.84 95.37 6.02 Favored 'General case' 0 N--CA 1.494 1.725 0 CA-C-N 113.846 -1.524 . . . . 0.0 108.216 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.07 -5.47 57.82 Favored 'General case' 0 N--CA 1.495 1.798 0 CA-C-N 113.296 -1.775 . . . . 0.0 110.168 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.693 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 4.5 m -58.6 155.35 12.58 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 124.198 0.936 . . . . 0.0 113.267 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.5 t -67.09 -35.85 80.7 Favored 'General case' 0 N--CA 1.49 1.537 0 CA-C-N 113.416 -1.72 . . . . 0.0 106.587 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 86.4 p -80.77 -15.47 56.35 Favored 'General case' 0 N--CA 1.488 1.459 0 CA-C-N 114.204 -1.362 . . . . 0.0 108.774 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 63.35 22.04 13.09 Favored 'General case' 0 N--CA 1.499 1.976 0 CA-C-N 114.592 -1.185 . . . . 0.0 109.276 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.3 mttt -125.46 125.11 42.8 Favored 'General case' 0 N--CA 1.488 1.447 0 CA-C-N 114.468 -1.242 . . . . 0.0 110.439 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.54 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 77.4 m -118.35 117.18 28.38 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 105.507 -2.035 . . . . 0.0 105.507 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.3 p30 -68.6 -178.92 1.24 Allowed 'General case' 0 N--CA 1.498 1.965 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -16.48 52.07 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-N 114.257 -1.338 . . . . 0.0 113.757 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -88.97 13.61 12.46 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 19.6 m120 49.86 38.15 15.23 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 124.199 0.937 . . . . 0.0 109.195 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.554 ' HZ3' ' HZ2' ' A' ' 7' ' ' LYS . 10.0 mmtp -121.73 159.61 26.26 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-N 112.652 -2.067 . . . . 0.0 105.613 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.599 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 23.6 m -78.42 171.79 14.58 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 118.932 -1.107 . . . . 0.0 110.667 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 29.1 t . . . . . 0 N--CA 1.495 1.818 0 CA-C-N 113.365 -1.743 . . . . 0.0 109.363 179.963 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.488 1.456 0 N-CA-C 106.105 -1.813 . . . . 0.0 106.105 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 16.1 mtt180 -65.79 156.08 34.27 Favored 'General case' 0 N--CA 1.501 2.111 0 CA-C-N 115.58 -0.737 . . . . 0.0 112.708 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.8 pt -73.91 171.0 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.433 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 68.19 -10.39 0.43 Allowed 'General case' 0 N--CA 1.504 2.26 0 O-C-N 125.303 1.627 . . . . 0.0 114.96 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.18 125.24 22.8 Favored 'General case' 0 N--CA 1.499 2.002 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.38 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.7 mmtt -54.92 106.37 0.22 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 124.283 0.989 . . . . 0.0 111.219 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.703 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 16.8 p -140.06 157.54 45.49 Favored 'General case' 0 N--CA 1.494 1.737 0 CA-C-N 114.074 -1.421 . . . . 0.0 110.325 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -89.49 151.29 22.06 Favored 'General case' 0 N--CA 1.494 1.761 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.191 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -57.53 -15.77 8.05 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-N 113.941 -1.482 . . . . 0.0 111.756 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 16.0 m170 -105.3 -45.4 4.49 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 124.497 1.123 . . . . 0.0 108.501 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.0 mt -91.29 62.33 4.68 Favored 'General case' 0 N--CA 1.496 1.875 0 CA-C-N 114.878 -1.056 . . . . 0.0 108.662 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.425 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 3.9 m-20 -80.34 85.63 5.8 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-N 113.944 -1.48 . . . . 0.0 107.497 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.62 5.13 47.07 Favored 'General case' 0 N--CA 1.497 1.924 0 CA-C-N 112.832 -1.985 . . . . 0.0 111.689 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.703 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 6.1 m -64.6 159.77 21.12 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.212 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.5 t -64.23 -34.99 79.36 Favored 'General case' 0 N--CA 1.494 1.775 0 N-CA-C 106.444 -1.687 . . . . 0.0 106.444 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.8 p -84.54 -15.91 44.14 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 113.717 -1.583 . . . . 0.0 108.687 179.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 59.92 31.27 20.63 Favored 'General case' 0 N--CA 1.5 2.031 0 CA-C-N 114.417 -1.265 . . . . 0.0 109.741 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.7 mtpp -127.12 122.04 33.12 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-N 114.65 -1.159 . . . . 0.0 110.033 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.474 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 74.4 m -120.02 116.12 25.1 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 52.6 p30 -66.48 -176.96 0.5 Allowed 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.1 ptp85 -59.69 -20.75 58.36 Favored 'General case' 0 N--CA 1.487 1.384 0 CA-C-N 113.479 -1.691 . . . . 0.0 113.425 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -89.22 15.29 9.17 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 123.958 0.786 . . . . 0.0 109.596 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 50.09 38.05 15.87 Favored 'General case' 0 N--CA 1.498 1.961 0 CA-C-O 122.223 1.011 . . . . 0.0 110.452 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.1 mtmm -127.11 155.42 43.34 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 112.788 -2.005 . . . . 0.0 105.915 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.574 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 69.0 m -68.56 171.05 8.07 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 -179.687 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 46.6 t . . . . . 0 N--CA 1.496 1.843 0 CA-C-N 113.181 -1.827 . . . . 0.0 109.379 179.917 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.488 1.426 0 N-CA-C 105.367 -2.086 . . . . 0.0 105.367 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -66.68 154.88 39.5 Favored 'General case' 0 N--CA 1.501 2.084 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -80.39 155.54 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 CA-C-N 115.03 -0.986 . . . . 0.0 111.01 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . 0.467 ' C ' ' H ' ' A' ' 6' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 52.83 1.67 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.117 0 N-CA-C 115.739 1.755 . . . . 0.0 115.739 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.467 ' H ' ' C ' ' A' ' 4' ' ' HYP . 0.8 OUTLIER -79.93 133.12 36.19 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.03 117.74 2.27 Favored 'General case' 0 N--CA 1.495 1.794 0 CA-C-O 122.369 1.081 . . . . 0.0 113.024 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.644 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 24.4 p -141.48 173.91 11.05 Favored 'General case' 0 N--CA 1.494 1.755 0 CA-C-N 113.743 -1.571 . . . . 0.0 109.964 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -112.41 136.73 51.54 Favored 'General case' 0 N--CA 1.494 1.746 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.663 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -57.09 -38.52 73.48 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 124.109 0.881 . . . . 0.0 109.398 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 30.0 t-80 -69.08 -45.12 71.09 Favored 'General case' 0 N--CA 1.491 1.604 0 CA-C-N 114.009 -1.45 . . . . 0.0 110.187 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.6 mt -111.97 70.37 0.71 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 124.552 1.157 . . . . 0.0 108.177 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -71.67 97.66 1.78 Allowed 'General case' 0 N--CA 1.489 1.487 0 CA-C-N 113.607 -1.633 . . . . 0.0 108.405 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.69 -10.02 49.95 Favored 'General case' 0 N--CA 1.491 1.605 0 CA-C-N 113.014 -1.903 . . . . 0.0 111.951 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.644 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 5.4 m -58.82 155.58 12.78 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 t -69.43 -34.93 75.17 Favored 'General case' 0 N--CA 1.492 1.654 0 CA-C-N 113.788 -1.551 . . . . 0.0 106.952 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 94.5 p -78.84 -13.39 59.83 Favored 'General case' 0 N--CA 1.488 1.441 0 CA-C-N 113.855 -1.521 . . . . 0.0 108.961 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.9 mtm105 59.44 28.05 17.33 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 124.546 1.154 . . . . 0.0 109.175 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -129.92 124.58 33.46 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 114.134 -1.394 . . . . 0.0 109.778 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.612 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 55.4 m -124.37 115.44 20.97 Favored 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 105.888 -1.893 . . . . 0.0 105.888 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.433 HD22 ' HB2' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -68.27 177.7 2.21 Favored 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 113.213 0.82 . . . . 0.0 113.213 -179.72 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.1 -13.47 17.47 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-N 114.103 -1.408 . . . . 0.0 113.254 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -89.68 12.52 16.68 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 50.0 42.51 24.72 Favored 'General case' 0 N--CA 1.494 1.76 0 CA-C-O 122.511 1.148 . . . . 0.0 110.235 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.433 ' HB2' HD22 ' A' ' 21' ' ' ASN . 5.4 mtpm? -132.11 163.83 27.63 Favored 'General case' 0 C--N 1.306 -1.283 0 CA-C-N 112.086 -2.325 . . . . 0.0 105.135 179.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.407 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 63.9 m -76.05 172.99 11.85 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 119.148 -1.021 . . . . 0.0 111.497 -179.684 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.3 t . . . . . 0 N--CA 1.493 1.678 0 CA-C-O 116.347 -1.787 . . . . 0.0 109.634 -179.909 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 105.649 -1.982 . . . . 0.0 105.649 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.64 155.81 39.93 Favored 'General case' 0 N--CA 1.502 2.162 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 -179.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 36.3 pt -80.16 157.86 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.352 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 12.4 p30 48.61 10.78 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.171 0 N-CA-C 116.642 2.09 . . . . 0.0 116.642 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -86.39 133.5 33.78 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -44.0 98.05 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.701 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 31.1 p -140.33 146.39 38.4 Favored 'General case' 0 N--CA 1.496 1.846 0 CA-C-N 114.305 -1.316 . . . . 0.0 108.491 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -89.18 157.3 18.32 Favored 'General case' 0 N--CA 1.494 1.749 0 CA-C-O 121.675 0.75 . . . . 0.0 112.466 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 -59.43 -16.68 25.1 Favored 'General case' 0 N--CA 1.489 1.504 0 CA-C-N 113.333 -1.758 . . . . 0.0 110.815 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -105.22 -33.28 8.29 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-N 114.676 -1.147 . . . . 0.0 108.721 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 73.4 mt -102.18 68.18 1.09 Allowed 'General case' 0 N--CA 1.495 1.781 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.877 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -83.98 92.79 7.92 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 113.624 -1.625 . . . . 0.0 110.344 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.95 -21.38 22.48 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-N 113.237 -1.801 . . . . 0.0 110.214 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.701 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 3.2 m -47.51 156.35 0.29 Allowed 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 -179.675 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 t -67.13 -38.23 85.2 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 105.948 -1.871 . . . . 0.0 105.948 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.4 p -80.62 -11.7 59.61 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-N 113.868 -1.515 . . . . 0.0 109.548 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.7 mmm-85 55.38 29.03 12.35 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 124.397 1.061 . . . . 0.0 110.349 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 78.8 mttt -125.12 123.67 40.2 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-N 114.218 -1.356 . . . . 0.0 108.807 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.479 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 95.6 m -122.59 115.57 22.37 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 106.572 -1.64 . . . . 0.0 106.572 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -68.05 176.34 2.7 Favored 'General case' 0 N--CA 1.496 1.83 0 CA-C-N 115.244 -0.889 . . . . 0.0 112.849 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -62.57 -12.27 21.71 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-N 114.153 -1.385 . . . . 0.0 113.142 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -89.33 12.56 15.82 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 51.75 40.73 28.22 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-N 114.695 -1.139 . . . . 0.0 111.174 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.6 mtmt -132.67 163.18 29.53 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 105.925 -1.879 . . . . 0.0 105.925 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.529 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 64.4 m -73.01 172.12 11.59 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 119.121 -1.032 . . . . 0.0 110.836 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.8 t . . . . . 0 N--CA 1.495 1.79 0 CA-C-O 117.155 -1.403 . . . . 0.0 109.939 -179.829 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.488 1.459 0 N-CA-C 105.628 -1.99 . . . . 0.0 105.628 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.15 154.96 39.97 Favored 'General case' 0 N--CA 1.501 2.11 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.1 pt -77.22 154.81 5.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.633 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 60.04 -0.8 0.21 Allowed 'General case' 0 N--CA 1.504 2.24 0 N-CA-C 116.28 1.956 . . . . 0.0 116.28 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -81.33 136.79 35.78 Favored 'General case' 0 N--CA 1.495 1.798 0 C-N-CA 120.089 -0.645 . . . . 0.0 110.983 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -48.66 105.2 0.07 Allowed 'General case' 0 N--CA 1.496 1.854 0 O-C-N 124.642 1.214 . . . . 0.0 112.976 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.74 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 25.7 p -133.23 164.55 26.82 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-N 114.417 -1.265 . . . . 0.0 110.928 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -89.92 140.67 29.39 Favored 'General case' 0 N--CA 1.495 1.817 0 CA-C-N 114.629 -1.169 . . . . 0.0 111.275 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -58.56 -52.0 67.52 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-N 114.916 -1.038 . . . . 0.0 109.294 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -69.16 -54.53 14.43 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-N 113.537 -1.665 . . . . 0.0 111.065 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.7 mt -92.1 67.55 5.08 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-O 122.639 1.209 . . . . 0.0 107.99 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -69.02 97.8 0.9 Allowed 'General case' 0 N--CA 1.487 1.4 0 CA-C-N 112.421 -2.172 . . . . 0.0 108.183 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -88.57 -5.07 58.42 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-N 113.137 -1.847 . . . . 0.0 111.977 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.74 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 9.0 m -63.44 159.18 18.95 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 113.688 0.995 . . . . 0.0 113.688 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 t -74.05 -35.64 64.32 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 105.607 -1.997 . . . . 0.0 105.607 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.9 p -81.19 0.9 34.43 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-N 113.817 -1.538 . . . . 0.0 109.36 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 44.1 29.62 0.36 Allowed 'General case' 0 N--CA 1.5 2.033 0 O-C-N 125.117 1.51 . . . . 0.0 112.34 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 41.5 mtmt -134.57 126.23 28.86 Favored 'General case' 0 N--CA 1.485 1.276 0 CA-C-N 114.208 -1.36 . . . . 0.0 109.812 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.634 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 65.0 m -122.64 122.96 40.05 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 106.319 -1.734 . . . . 0.0 106.319 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -80.46 -175.85 5.39 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 114.704 1.372 . . . . 0.0 114.704 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -55.02 -25.22 28.79 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 116.913 2.19 . . . . 0.0 116.913 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -88.86 20.72 3.39 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 123.6 0.562 . . . . 0.0 109.505 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.3 m120 49.28 38.61 14.0 Favored 'General case' 0 N--CA 1.497 1.903 0 CA-C-N 114.624 -1.171 . . . . 0.0 110.253 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 71.7 mttt -123.49 169.5 11.33 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 112.914 -1.948 . . . . 0.0 107.142 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.509 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 56.2 m -79.42 175.09 10.92 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 119.993 -0.683 . . . . 0.0 112.309 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 78.5 t . . . . . 0 N--CA 1.496 1.868 0 CA-C-O 116.57 -1.681 . . . . 0.0 109.629 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 106.002 -1.851 . . . . 0.0 106.002 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 32.7 ttm-85 -78.21 137.5 38.16 Favored 'General case' 0 N--CA 1.5 2.046 0 CA-C-O 121.045 0.45 . . . . 0.0 111.124 -179.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 15.8 pt -60.1 157.07 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 CA-C-N 115.201 -0.909 . . . . 0.0 113.229 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . 0.416 ' C ' ' H ' ' A' ' 6' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 47.1 11.13 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.152 0 N-CA-C 115.734 1.754 . . . . 0.0 115.734 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.416 ' H ' ' C ' ' A' ' 4' ' ' HYP . 0.3 OUTLIER -86.15 142.66 28.49 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -179.906 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.7 mmtm -50.84 104.96 0.09 Allowed 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.614 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 28.2 p -140.21 -165.47 1.91 Allowed 'General case' 0 N--CA 1.494 1.771 0 CA-C-N 114.51 -1.223 . . . . 0.0 109.186 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -136.24 151.55 49.8 Favored 'General case' 0 N--CA 1.499 1.992 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -59.15 -21.16 58.92 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-N 113.48 -1.691 . . . . 0.0 110.295 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 31.7 t-80 -98.52 -51.02 4.08 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.082 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.9 mt -93.88 66.39 3.65 Favored 'General case' 0 N--CA 1.495 1.791 0 CA-C-N 114.775 -1.102 . . . . 0.0 109.056 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -77.95 84.49 4.23 Favored 'General case' 0 N--CA 1.494 1.751 0 CA-C-N 113.339 -1.755 . . . . 0.0 108.072 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.28 5.4 45.11 Favored 'General case' 0 N--CA 1.497 1.892 0 CA-C-N 113.179 -1.828 . . . . 0.0 110.539 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.63 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 7.5 m -67.3 161.19 25.56 Favored 'General case' 0 N--CA 1.488 1.441 0 CA-C-N 115.293 -0.867 . . . . 0.0 112.52 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 t -67.06 -35.8 80.65 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 105.663 -1.977 . . . . 0.0 105.663 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.8 p -83.32 -16.19 47.13 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-N 113.777 -1.556 . . . . 0.0 108.6 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.1 ttp85 61.19 30.48 19.32 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-N 114.576 -1.193 . . . . 0.0 109.87 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp -131.38 124.55 30.55 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 114.332 -1.304 . . . . 0.0 109.679 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.63 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 94.9 m -122.61 120.25 33.18 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 106.89 -1.522 . . . . 0.0 106.89 179.649 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 56.8 p30 -70.87 -174.19 0.9 Allowed 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 113.55 0.945 . . . . 0.0 113.55 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -66.38 -17.96 65.08 Favored 'General case' 0 N--CA 1.485 1.275 0 CA-C-N 114.426 -1.261 . . . . 0.0 113.16 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -89.14 15.81 8.21 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 123.923 0.764 . . . . 0.0 110.138 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 49.64 37.54 12.97 Favored 'General case' 0 N--CA 1.497 1.911 0 CA-C-O 122.391 1.091 . . . . 0.0 110.909 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.7 mttt -124.4 151.62 44.22 Favored 'General case' 0 N--CA 1.486 1.336 0 CA-C-N 112.55 -2.114 . . . . 0.0 105.512 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.601 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 57.1 m -71.62 172.4 9.72 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 119.268 -0.973 . . . . 0.0 110.946 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 43.4 t . . . . . 0 N--CA 1.495 1.781 0 CA-C-O 116.302 -1.808 . . . . 0.0 109.642 -179.993 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.488 1.47 0 N-CA-C 105.366 -2.086 . . . . 0.0 105.366 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 9.4 mmt85 -78.01 161.08 27.75 Favored 'General case' 0 N--CA 1.5 2.026 0 N-CA-C 114.93 1.456 . . . . 0.0 114.93 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 40.3 pt -73.22 164.37 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 CA-C-N 113.725 -1.58 . . . . 0.0 111.209 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.4 HD21 ' N ' ' A' ' 6' ' ' GLN . 0.0 OUTLIER 74.27 -10.46 1.13 Allowed 'General case' 0 N--CA 1.504 2.244 0 O-C-N 125.541 1.776 . . . . 0.0 114.023 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.48 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 9.4 tp-100 -61.25 123.59 18.15 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 123.435 0.46 . . . . 0.0 109.774 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.31 103.53 0.08 Allowed 'General case' 0 N--CA 1.496 1.86 0 O-C-N 124.28 0.987 . . . . 0.0 110.474 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.763 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 29.3 p -140.61 144.12 35.61 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-N 114.096 -1.411 . . . . 0.0 110.507 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -89.73 155.77 18.98 Favored 'General case' 0 N--CA 1.491 1.625 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.692 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.3 mp0 -51.02 -35.89 36.66 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-N 113.922 -1.49 . . . . 0.0 111.254 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 26.5 m170 -85.76 -44.3 12.62 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.567 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mp -92.02 58.19 3.3 Favored 'General case' 0 N--CA 1.496 1.857 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.068 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.428 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 4.5 t0 -76.67 93.0 3.57 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-N 114.192 -1.367 . . . . 0.0 109.918 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.61 -1.33 57.99 Favored 'General case' 0 N--CA 1.493 1.699 0 CA-C-N 114.497 -1.228 . . . . 0.0 111.604 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.763 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 3.1 m -65.34 158.7 25.78 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 114.852 1.427 . . . . 0.0 114.852 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 t -78.3 -34.88 48.5 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 104.855 -2.276 . . . . 0.0 104.855 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 93.7 p -79.03 1.76 22.88 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-N 113.581 -1.645 . . . . 0.0 109.392 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 43.32 30.62 0.32 Allowed 'General case' 0 N--CA 1.5 2.064 0 O-C-N 124.789 1.306 . . . . 0.0 112.362 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 33.1 mttp -135.26 125.2 25.71 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-N 114.522 -1.217 . . . . 0.0 110.701 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.588 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 92.7 m -122.04 112.37 18.17 Favored 'General case' 0 N--CA 1.484 1.249 0 N-CA-C 105.792 -1.929 . . . . 0.0 105.792 179.762 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 55.7 p30 -62.79 -175.4 0.09 Allowed 'General case' 0 N--CA 1.497 1.921 0 N-CA-C 115.26 1.578 . . . . 0.0 115.26 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -18.28 65.12 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-N 113.437 -1.71 . . . . 0.0 113.182 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -89.29 12.29 16.5 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 123.873 0.733 . . . . 0.0 109.089 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.2 m120 51.73 42.62 29.98 Favored 'General case' 0 N--CA 1.496 1.86 0 CA-C-O 122.466 1.127 . . . . 0.0 109.288 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -130.96 156.12 45.64 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-N 112.31 -2.223 . . . . 0.0 105.958 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.616 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 57.4 m -71.45 169.86 14.48 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 119.365 -0.934 . . . . 0.0 112.509 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 41.5 t . . . . . 0 N--CA 1.495 1.788 0 CA-C-N 112.775 -2.011 . . . . 0.0 109.739 -179.975 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.496 0 N-CA-C 106.661 -1.607 . . . . 0.0 106.661 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -79.96 129.82 34.79 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 123.484 0.49 . . . . 0.0 109.68 -179.694 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 37.5 pt -58.31 153.45 3.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . 0.487 ' C ' ' H ' ' A' ' 6' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 64.82 -13.45 0.11 Allowed 'General case' 0 N--CA 1.502 2.139 0 O-C-N 125.474 1.734 . . . . 0.0 113.658 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.487 ' H ' ' C ' ' A' ' 4' ' ' HYP . 8.6 tp-100 -64.71 135.82 56.27 Favored 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 120.349 -0.54 . . . . 0.0 109.578 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.64 119.71 7.06 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-O 122.541 1.162 . . . . 0.0 112.475 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.611 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 15.9 p -141.77 -159.02 0.92 Allowed 'General case' 0 N--CA 1.492 1.673 0 CA-C-N 113.109 -1.859 . . . . 0.0 107.867 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -146.3 153.08 40.15 Favored 'General case' 0 N--CA 1.495 1.784 0 CA-C-O 121.41 0.624 . . . . 0.0 111.09 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.43 ' NE2' ' H ' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -56.23 -29.68 61.32 Favored 'General case' 0 N--CA 1.492 1.634 0 CA-C-N 113.939 -1.482 . . . . 0.0 110.174 179.791 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -84.88 -58.03 2.87 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-N 114.218 -1.356 . . . . 0.0 108.189 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.8 mt -98.09 66.47 1.83 Allowed 'General case' 0 N--CA 1.495 1.777 0 CA-C-N 114.185 -1.37 . . . . 0.0 110.175 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.488 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 1.1 p-10 -87.07 88.63 7.75 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 106.287 -1.745 . . . . 0.0 106.287 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -88.88 11.02 19.15 Favored 'General case' 0 N--CA 1.493 1.699 0 CA-C-N 113.209 -1.814 . . . . 0.0 112.444 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.682 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 4.9 m -63.55 160.21 17.07 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.416 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 t -62.3 -35.54 79.34 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 106.683 -1.599 . . . . 0.0 106.683 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.8 p -90.39 -11.53 40.25 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-N 113.691 -1.595 . . . . 0.0 109.171 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.71 27.19 15.58 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 124.422 1.076 . . . . 0.0 109.742 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -118.34 121.42 40.33 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-N 114.216 -1.356 . . . . 0.0 108.764 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.682 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 87.5 m -123.84 115.81 21.94 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 56.0 p30 -65.26 -173.68 0.14 Allowed 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.8 ptp180 -68.75 -18.08 64.15 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 114.132 -1.395 . . . . 0.0 112.746 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -89.09 15.8 8.17 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 123.884 0.74 . . . . 0.0 110.076 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.6 m120 50.25 39.38 19.78 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 124.335 1.022 . . . . 0.0 110.418 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -125.52 154.58 41.9 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-N 112.742 -2.026 . . . . 0.0 105.992 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.611 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 43.0 m -74.83 170.54 15.71 Favored 'General case' 0 N--CA 1.485 1.325 0 CA-C-O 122.151 0.977 . . . . 0.0 111.772 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.6 t . . . . . 0 N--CA 1.496 1.846 0 CA-C-N 112.785 -2.007 . . . . 0.0 109.558 -179.996 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 105.25 -2.13 . . . . 0.0 105.25 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.51 153.46 42.9 Favored 'General case' 0 N--CA 1.501 2.075 0 N-CA-C 112.613 0.598 . . . . 0.0 112.613 -179.573 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.1 pt -74.85 153.59 6.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.738 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . 0.414 ' C ' ' H ' ' A' ' 6' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 63.71 -10.66 0.12 Allowed 'General case' 0 N--CA 1.503 2.204 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.414 ' H ' ' C ' ' A' ' 4' ' ' HYP . 0.8 OUTLIER -66.74 127.72 33.52 Favored 'General case' 0 N--CA 1.495 1.813 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.736 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -51.68 105.43 0.11 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 124.481 1.113 . . . . 0.0 111.475 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.64 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 9.6 p -132.66 159.55 39.27 Favored 'General case' 0 N--CA 1.495 1.819 0 CA-C-N 114.777 -1.101 . . . . 0.0 110.764 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -89.6 140.0 29.99 Favored 'General case' 0 N--CA 1.491 1.625 0 CA-C-N 114.437 -1.256 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -52.77 -31.27 37.46 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 124.458 1.099 . . . . 0.0 111.273 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 44.4 m-70 -83.35 -48.82 9.99 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-N 114.831 -1.077 . . . . 0.0 108.242 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.6 mt -91.17 55.81 2.96 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-N 114.619 -1.173 . . . . 0.0 109.539 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -78.97 87.1 4.79 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.88 1.05 55.98 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-N 113.226 -1.806 . . . . 0.0 111.465 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.64 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 6.7 m -55.55 161.13 2.14 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 124.02 0.825 . . . . 0.0 111.749 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 t -64.94 -35.55 81.52 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 91.5 p -87.06 -11.07 51.37 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-N 114.111 -1.404 . . . . 0.0 108.731 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 50.9 mtm180 56.85 31.22 19.24 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 124.46 1.1 . . . . 0.0 109.895 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.2 mttp -127.72 123.26 34.97 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-N 114.292 -1.322 . . . . 0.0 109.428 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.527 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 84.0 m -120.13 112.43 19.09 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 105.993 -1.854 . . . . 0.0 105.993 179.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 56.4 p30 -60.42 -173.98 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.065 0 N-CA-C 115.833 1.79 . . . . 0.0 115.833 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.6 ptt85 -64.11 -19.74 65.48 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-N 113.658 -1.61 . . . . 0.0 112.876 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -89.11 13.46 13.05 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 123.953 0.783 . . . . 0.0 109.575 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 13.5 m120 51.54 40.04 26.1 Favored 'General case' 0 N--CA 1.499 1.996 0 CA-C-O 121.998 0.904 . . . . 0.0 109.365 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 65.6 mttt -128.47 155.72 44.35 Favored 'General case' 0 N--CA 1.489 1.483 0 CA-C-N 113.02 -1.9 . . . . 0.0 106.635 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.596 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 57.9 m -69.4 170.12 11.07 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-O 122.145 0.974 . . . . 0.0 112.934 -179.671 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 47.0 t . . . . . 0 N--CA 1.496 1.854 0 CA-C-N 112.7 -2.046 . . . . 0.0 109.365 179.89 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 105.023 -2.214 . . . . 0.0 105.023 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.597 ' HE ' ' H ' ' A' ' 3' ' ' ILE . 0.0 OUTLIER -71.95 145.09 48.65 Favored 'General case' 0 N--CA 1.501 2.106 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -179.613 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.597 ' H ' ' HE ' ' A' ' 2' ' ' ARG . 9.9 pt -65.27 155.24 6.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 CA-C-N 114.664 -1.153 . . . . 0.0 111.773 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 59.37 0.21 0.19 Allowed 'General case' 0 N--CA 1.503 2.206 0 N-CA-C 115.422 1.638 . . . . 0.0 115.422 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -74.41 129.45 37.8 Favored 'General case' 0 N--CA 1.499 1.982 0 C-N-CA 120.168 -0.613 . . . . 0.0 109.487 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.82 99.57 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 -179.752 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.673 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 28.4 p -140.73 138.98 34.59 Favored 'General case' 0 N--CA 1.496 1.831 0 CA-C-N 114.077 -1.42 . . . . 0.0 108.064 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -89.27 156.35 18.8 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-O 121.508 0.671 . . . . 0.0 111.195 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -56.34 -32.58 64.84 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-N 113.719 -1.582 . . . . 0.0 110.465 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -69.3 -33.71 73.59 Favored 'General case' 0 N--CA 1.494 1.771 0 CA-C-N 114.946 -1.025 . . . . 0.0 110.549 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.2 72.44 1.31 Allowed 'General case' 0 N--CA 1.497 1.892 0 O-C-N 124.432 1.082 . . . . 0.0 110.421 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.559 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 2.7 p-10 -88.87 80.38 7.15 Favored 'General case' 0 N--CA 1.496 1.861 0 CA-C-O 122.504 1.145 . . . . 0.0 108.612 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -89.36 13.52 13.38 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-N 113.403 -1.726 . . . . 0.0 111.918 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.673 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 17.6 m -62.63 171.01 2.21 Favored 'General case' 0 N--CA 1.492 1.673 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.989 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 t -69.1 -33.4 73.43 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 81.3 p -90.52 -10.49 43.35 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-N 113.396 -1.729 . . . . 0.0 108.99 179.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.06 33.81 23.57 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 124.386 1.054 . . . . 0.0 108.716 -179.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.85 125.04 30.8 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-N 114.161 -1.382 . . . . 0.0 110.178 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.574 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 87.5 m -124.04 115.63 21.5 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 106.477 -1.675 . . . . 0.0 106.477 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.416 HD22 ' HB2' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -66.78 176.55 1.96 Allowed 'General case' 0 N--CA 1.499 1.978 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -179.677 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -59.14 -14.78 11.4 Favored 'General case' 0 N--CA 1.486 1.353 0 CA-C-N 114.077 -1.419 . . . . 0.0 113.253 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -89.1 13.73 12.42 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 34.9 m120 50.46 41.23 24.79 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 124.377 1.048 . . . . 0.0 109.991 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.416 ' HB2' HD22 ' A' ' 21' ' ' ASN . 6.1 mtpm? -132.21 158.99 40.32 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 105.484 -2.043 . . . . 0.0 105.484 179.776 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.643 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 35.8 m -70.2 174.27 5.73 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 119.131 -1.027 . . . . 0.0 111.412 -179.708 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.7 t . . . . . 0 N--CA 1.492 1.642 0 CA-C-N 114.028 -1.442 . . . . 0.0 109.791 -179.805 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 104.838 -2.282 . . . . 0.0 104.838 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.1 mmt85 -77.34 164.42 25.54 Favored 'General case' 0 N--CA 1.503 2.193 0 N-CA-C 114.333 1.234 . . . . 0.0 114.333 -179.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.6 pt -77.59 159.62 4.91 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 CA-C-N 114.394 -1.276 . . . . 0.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . 0.43 ' C ' ' H ' ' A' ' 6' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.7 p30 56.42 -8.06 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.176 0 N-CA-C 117.234 2.309 . . . . 0.0 117.234 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.43 ' H ' ' C ' ' A' ' 4' ' ' HYP . 0.0 OUTLIER -68.4 125.64 27.09 Favored 'General case' 0 N--CA 1.496 1.828 0 C-N-CA 120.249 -0.58 . . . . 0.0 110.054 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -49.29 100.86 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.84 0 O-C-N 124.51 1.131 . . . . 0.0 111.845 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.676 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 29.9 p -140.13 142.7 36.0 Favored 'General case' 0 N--CA 1.493 1.707 0 CA-C-N 113.71 -1.586 . . . . 0.0 108.358 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -89.0 160.3 17.18 Favored 'General case' 0 N--CA 1.494 1.754 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.822 -179.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -54.9 -17.84 4.16 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-N 113.552 -1.658 . . . . 0.0 111.542 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 29.0 t-80 -100.79 -39.96 7.56 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 124.357 1.035 . . . . 0.0 110.745 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.3 mt -97.14 65.12 1.99 Allowed 'General case' 0 N--CA 1.498 1.975 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.417 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -82.48 91.85 6.95 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-N 114.208 -1.36 . . . . 0.0 111.556 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -89.72 -17.35 28.45 Favored 'General case' 0 N--CA 1.494 1.744 0 CA-C-N 114.216 -1.356 . . . . 0.0 110.568 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.676 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 2.3 m -49.54 160.76 0.25 Allowed 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 t -69.64 -36.08 75.78 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 92.7 p -83.12 -9.8 59.01 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-N 113.937 -1.483 . . . . 0.0 109.124 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 54.81 31.92 16.58 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 124.498 1.124 . . . . 0.0 108.423 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.9 mttm -129.78 126.1 37.35 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-N 113.987 -1.46 . . . . 0.0 110.061 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 98.8 m -118.49 119.33 34.23 Favored 'General case' 0 C--N 1.308 -1.222 0 N-CA-C 106.389 -1.708 . . . . 0.0 106.389 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.426 HD22 ' HB2' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -69.3 176.96 3.02 Favored 'General case' 0 N--CA 1.498 1.968 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 -179.675 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 17.9 ptp180 -56.26 -18.98 12.09 Favored 'General case' 0 N--CA 1.489 1.476 0 CA-C-N 114.008 -1.451 . . . . 0.0 114.241 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -89.42 16.58 7.33 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 123.663 0.602 . . . . 0.0 110.31 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 50.21 38.95 18.62 Favored 'General case' 0 N--CA 1.494 1.767 0 CA-C-N 114.707 -1.133 . . . . 0.0 110.767 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.426 ' HB2' HD22 ' A' ' 21' ' ' ASN . 37.0 mtmt -127.04 164.24 21.98 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 105.946 -1.872 . . . . 0.0 105.946 179.7 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.596 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 22.9 m -74.22 172.95 10.87 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 119.092 -1.043 . . . . 0.0 112.651 -179.664 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.3 t . . . . . 0 N--CA 1.491 1.607 0 CA-C-N 112.887 -1.96 . . . . 0.0 109.512 -179.843 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.484 0 N-CA-C 105.913 -1.884 . . . . 0.0 105.913 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.404 ' CB ' ' HA ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER -59.68 138.72 57.66 Favored 'General case' 0 N--CA 1.503 2.182 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.78 -179.686 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.1 pt -70.16 155.82 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.55 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 66.19 -6.64 0.46 Allowed 'General case' 0 N--CA 1.502 2.147 0 O-C-N 125.133 1.521 . . . . 0.0 114.86 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -72.98 130.49 40.48 Favored 'General case' 0 N--CA 1.498 1.926 0 C-N-CA 120.089 -0.644 . . . . 0.0 110.51 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.14 108.85 0.15 Allowed 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.692 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 24.4 p -140.23 157.83 44.98 Favored 'General case' 0 N--CA 1.495 1.822 0 CA-C-N 114.409 -1.268 . . . . 0.0 109.938 179.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -90.0 144.04 26.26 Favored 'General case' 0 N--CA 1.496 1.874 0 CA-C-N 114.795 -1.093 . . . . 0.0 110.532 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -57.02 -33.2 66.93 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-N 114.657 -1.156 . . . . 0.0 109.441 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 35.8 t-80 -79.78 -53.46 6.78 Favored 'General case' 0 N--CA 1.487 1.42 0 CA-C-N 113.784 -1.553 . . . . 0.0 110.195 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 mp -97.2 61.08 1.71 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 124.348 1.03 . . . . 0.0 108.981 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -80.23 84.61 5.88 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-N 113.439 -1.709 . . . . 0.0 107.564 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -88.64 19.12 4.12 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-N 113.893 -1.503 . . . . 0.0 111.058 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.692 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 32.5 m -68.15 163.18 23.17 Favored 'General case' 0 N--CA 1.485 1.308 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.279 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.4 t -66.25 -34.8 78.83 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 106.546 -1.65 . . . . 0.0 106.546 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.4 p -90.22 -9.59 47.52 Favored 'General case' 0 N--CA 1.486 1.327 0 CA-C-N 113.745 -1.57 . . . . 0.0 110.075 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.84 25.61 12.22 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 124.117 0.885 . . . . 0.0 110.399 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.7 mmtt -122.74 123.66 41.6 Favored 'General case' 0 N--CA 1.487 1.402 0 CA-C-N 114.738 -1.119 . . . . 0.0 109.556 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.649 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 84.5 m -125.44 112.65 16.53 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 106.992 -1.485 . . . . 0.0 106.992 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 52.8 p30 -64.6 -176.51 0.25 Allowed 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 114.81 1.411 . . . . 0.0 114.81 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -65.52 -17.16 64.35 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-N 113.672 -1.604 . . . . 0.0 112.992 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -89.22 13.78 12.5 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 123.94 0.775 . . . . 0.0 109.376 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 51.02 42.79 28.89 Favored 'General case' 0 N--CA 1.493 1.681 0 CA-C-N 114.685 -1.143 . . . . 0.0 110.229 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.3 mttt -133.72 154.3 51.06 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-N 112.799 -2.001 . . . . 0.0 106.88 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.551 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 75.8 m -67.56 169.92 8.48 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 119.611 -0.836 . . . . 0.0 112.055 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 39.9 t . . . . . 0 N--CA 1.495 1.785 0 CA-C-O 116.268 -1.825 . . . . 0.0 109.51 -179.942 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 105.462 -2.051 . . . . 0.0 105.462 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.546 ' HE ' HE21 ' A' ' 6' ' ' GLN . 5.2 mtp180 -75.45 154.42 37.04 Favored 'General case' 0 N--CA 1.502 2.169 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 -179.724 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.7 pt -70.04 167.86 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 CA-C-N 115.206 -0.907 . . . . 0.0 111.779 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . 0.482 ' C ' ' H ' ' A' ' 6' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.7 p30 52.36 -0.36 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.251 0 N-CA-C 116.444 2.016 . . . . 0.0 116.444 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.546 HE21 ' HE ' ' A' ' 2' ' ' ARG . 0.8 OUTLIER -69.58 126.89 31.11 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 110.159 -0.311 . . . . 0.0 110.159 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.2 tptt -53.7 99.01 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.879 0 O-C-N 124.239 0.962 . . . . 0.0 112.494 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.705 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 25.9 p -137.26 137.6 39.2 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-N 114.252 -1.34 . . . . 0.0 107.914 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -88.87 153.84 20.73 Favored 'General case' 0 N--CA 1.493 1.684 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.378 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -49.23 -17.32 0.23 Allowed 'General case' 0 N--CA 1.495 1.791 0 CA-C-N 113.678 -1.601 . . . . 0.0 114.06 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 48.2 m-70 -90.64 -56.52 3.16 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.49 64.4 2.6 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-O 122.347 1.07 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.501 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 0.2 OUTLIER -84.47 79.91 9.4 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-N 113.561 -1.654 . . . . 0.0 106.732 179.773 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -89.0 23.51 2.37 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-N 113.56 -1.654 . . . . 0.0 111.917 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.705 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 12.7 m -73.09 163.07 28.69 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.675 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 t -69.34 -34.59 74.84 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 105.5 -2.037 . . . . 0.0 105.5 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 91.5 p -80.79 -12.13 59.49 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-N 113.679 -1.6 . . . . 0.0 107.277 179.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.46 20.73 10.42 Favored 'General case' 0 N--CA 1.496 1.852 0 CA-C-N 114.472 -1.24 . . . . 0.0 110.301 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.3 mttp -128.61 135.81 49.83 Favored 'General case' 0 N--CA 1.487 1.395 0 CA-C-N 114.594 -1.185 . . . . 0.0 111.17 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.511 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 86.6 m -122.39 128.32 50.8 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 106.405 -1.702 . . . . 0.0 106.405 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -79.03 -170.85 2.38 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.4 ptp85 -55.64 -28.19 53.98 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 116.883 2.179 . . . . 0.0 116.883 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -89.18 18.96 4.57 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 123.436 0.46 . . . . 0.0 110.488 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 49.96 44.36 25.45 Favored 'General case' 0 N--CA 1.497 1.914 0 CA-C-O 122.609 1.195 . . . . 0.0 108.881 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.3 mttt -124.95 164.87 19.17 Favored 'General case' 0 N--CA 1.487 1.413 0 CA-C-N 111.754 -2.476 . . . . 0.0 105.518 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.64 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 17.9 m -80.05 176.1 10.04 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 119.503 -0.879 . . . . 0.0 112.982 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.2 t . . . . . 0 N--CA 1.495 1.8 0 CA-C-O 116.352 -1.785 . . . . 0.0 109.599 -179.895 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 105.009 -2.219 . . . . 0.0 105.009 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.417 HH11 ' NE2' ' A' ' 6' ' ' GLN . 0.0 OUTLIER -76.28 167.53 21.7 Favored 'General case' 0 N--CA 1.503 2.2 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 -179.51 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -81.28 159.28 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 CA-C-N 113.789 -1.55 . . . . 0.0 111.583 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . 0.49 ' C ' ' H ' ' A' ' 6' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 66.05 -14.58 0.14 Allowed 'General case' 0 N--CA 1.505 2.307 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.562 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 8.8 tp-100 -56.01 119.82 6.48 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 123.266 0.354 . . . . 0.0 110.171 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.0 tptt -57.32 98.32 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.833 0 O-C-N 124.348 1.03 . . . . 0.0 110.227 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.669 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 9.0 p -127.32 153.38 46.25 Favored 'General case' 0 N--CA 1.495 1.809 0 CA-C-N 113.972 -1.467 . . . . 0.0 110.34 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -88.92 150.96 22.6 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -44.19 -38.34 3.69 Favored 'General case' 0 N--CA 1.494 1.732 0 CA-C-N 113.638 -1.619 . . . . 0.0 112.681 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -90.79 -39.18 12.52 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 124.061 0.851 . . . . 0.0 110.145 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 23.0 mt -89.88 58.89 4.38 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 124.192 0.932 . . . . 0.0 110.466 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.521 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 0.2 OUTLIER -81.7 99.77 9.11 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-N 114.482 -1.235 . . . . 0.0 108.832 179.891 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.08 -9.96 49.18 Favored 'General case' 0 N--CA 1.493 1.715 0 CA-C-N 113.226 -1.806 . . . . 0.0 110.838 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.708 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 2.2 m -52.44 151.76 3.93 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 124.405 1.066 . . . . 0.0 112.17 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 t -62.46 -41.44 98.76 Favored 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 87.9 p -77.62 -9.47 58.97 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-N 114.145 -1.389 . . . . 0.0 109.664 179.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.56 19.29 10.25 Favored 'General case' 0 N--CA 1.499 2.003 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.483 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 41.0 mttm -109.85 120.36 42.22 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.616 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.708 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 99.4 m -123.7 113.69 18.96 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 179.66 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 52.4 p30 -66.11 -176.07 0.38 Allowed 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 115.057 1.503 . . . . 0.0 115.057 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.94 -18.5 64.31 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-N 113.743 -1.571 . . . . 0.0 112.913 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -89.17 13.79 12.39 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 50.8 37.68 17.64 Favored 'General case' 0 N--CA 1.495 1.798 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.627 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -125.67 152.32 45.39 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-N 113.11 -1.859 . . . . 0.0 106.192 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.669 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 55.4 m -70.22 170.44 11.64 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-O 122.151 0.977 . . . . 0.0 113.39 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.8 t . . . . . 0 N--CA 1.494 1.774 0 CA-C-N 112.465 -2.152 . . . . 0.0 109.141 179.891 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.488 1.438 0 N-CA-C 105.834 -1.913 . . . . 0.0 105.834 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -72.26 160.68 31.99 Favored 'General case' 0 N--CA 1.5 2.051 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.562 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 pt -81.69 161.76 3.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.686 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 59.98 -3.55 0.12 Allowed 'General case' 0 N--CA 1.504 2.257 0 N-CA-C 116.532 2.049 . . . . 0.0 116.532 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -75.19 141.14 43.65 Favored 'General case' 0 N--CA 1.498 1.957 0 C-N-CA 120.089 -0.644 . . . . 0.0 111.8 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.0 tptp -52.78 107.15 0.2 Allowed 'General case' 0 N--CA 1.497 1.894 0 CA-C-N 114.72 -1.127 . . . . 0.0 111.817 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.644 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 25.5 p -137.48 143.35 41.69 Favored 'General case' 0 N--CA 1.492 1.661 0 CA-C-N 114.368 -1.287 . . . . 0.0 109.361 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -89.67 133.16 34.79 Favored 'General case' 0 N--CA 1.494 1.73 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.304 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -52.2 -28.38 18.14 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 124.517 1.135 . . . . 0.0 112.444 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 53.5 m-70 -68.93 -41.02 78.66 Favored 'General case' 0 N--CA 1.496 1.848 0 CA-C-N 114.902 -1.044 . . . . 0.0 110.41 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.33 78.35 1.65 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 124.379 1.05 . . . . 0.0 108.799 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -67.84 96.49 0.58 Allowed 'General case' 0 N--CA 1.489 1.505 0 CA-C-N 114.08 -1.418 . . . . 0.0 107.741 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -88.27 -0.35 57.03 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-N 113.549 -1.659 . . . . 0.0 112.383 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.678 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 5.2 m -68.26 156.31 37.92 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 123.614 0.571 . . . . 0.0 112.155 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 t -71.81 -33.82 68.84 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 105.687 -1.968 . . . . 0.0 105.687 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 83.5 p -82.35 0.63 40.9 Favored 'General case' 0 N--CA 1.486 1.356 0 CA-C-N 113.573 -1.648 . . . . 0.0 109.453 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.424 HH12 ' HZ2' ' A' ' 19' ' ' LYS . 41.2 ptt85 43.33 31.84 0.43 Allowed 'General case' 0 N--CA 1.501 2.11 0 O-C-N 124.824 1.327 . . . . 0.0 112.353 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.424 ' HZ2' HH12 ' A' ' 18' ' ' ARG . 15.6 mttp -132.87 125.78 30.74 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-N 114.2 -1.364 . . . . 0.0 110.074 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.678 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 65.3 m -127.04 116.33 20.56 Favored 'General case' 0 N--CA 1.485 1.282 0 N-CA-C 107.518 -1.289 . . . . 0.0 107.518 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 55.8 p30 -66.04 -174.92 0.28 Allowed 'General case' 0 N--CA 1.498 1.955 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -65.04 -20.81 66.67 Favored 'General case' 0 N--CA 1.484 1.267 0 CA-C-N 113.875 -1.511 . . . . 0.0 113.497 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -89.02 17.61 5.64 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 123.997 0.811 . . . . 0.0 110.347 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 51.1 39.09 22.56 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 124.176 0.923 . . . . 0.0 110.073 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? -125.73 154.9 41.79 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-N 113.425 -1.716 . . . . 0.0 106.446 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.516 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 65.9 m -71.29 172.82 8.67 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 119.495 -0.882 . . . . 0.0 110.663 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 23.4 t . . . . . 0 N--CA 1.498 1.955 0 CA-C-O 116.461 -1.733 . . . . 0.0 110.171 180.0 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.488 1.454 0 N-CA-C 106.307 -1.738 . . . . 0.0 106.307 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.92 133.66 39.17 Favored 'General case' 0 N--CA 1.5 2.034 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.464 -179.65 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 29.2 pt . . . . . 0 N--CA 1.494 1.729 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.95 -179.847 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 12.4 p30 . . . . . 0 N--CA 1.502 2.166 0 N-CA-C 115.738 1.755 . . . . 0.0 115.738 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.403 ' H ' ' HB2' ' A' ' 26' ' ' CYS . 7.0 tp60 -85.93 128.81 34.92 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.73 103.46 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.911 0 O-C-N 124.397 1.061 . . . . 0.0 112.552 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.683 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 26.4 p -132.52 144.89 50.74 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-N 114.055 -1.43 . . . . 0.0 110.033 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -89.24 136.57 32.95 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-N 114.489 -1.232 . . . . 0.0 108.433 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -56.15 -30.74 62.58 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-N 114.461 -1.245 . . . . 0.0 110.256 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -68.21 -35.91 78.72 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-N 114.48 -1.236 . . . . 0.0 110.341 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -129.8 62.48 1.55 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 124.405 1.066 . . . . 0.0 109.961 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -68.42 93.82 0.51 Allowed 'General case' 0 N--CA 1.498 1.942 0 CA-C-N 114.524 -1.216 . . . . 0.0 108.097 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -89.1 12.16 16.49 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-N 113.401 -1.727 . . . . 0.0 111.698 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.683 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 12.3 m -67.55 159.58 29.48 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.638 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 t -63.76 -36.07 82.68 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 106.647 -1.612 . . . . 0.0 106.647 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.6 p -89.43 -9.73 49.1 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-N 113.51 -1.677 . . . . 0.0 109.802 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 64.1 mtm-85 57.15 24.52 9.84 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 124.26 0.975 . . . . 0.0 110.078 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt -122.2 123.77 42.28 Favored 'General case' 0 N--CA 1.487 1.401 0 CA-C-N 114.487 -1.233 . . . . 0.0 109.18 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.492 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 98.9 m -119.64 118.65 31.51 Favored 'General case' 0 C--N 1.309 -1.164 0 N-CA-C 106.47 -1.678 . . . . 0.0 106.47 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.2 p30 -69.53 177.87 2.74 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 123.945 0.778 . . . . 0.0 112.96 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.38 -17.51 20.87 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-N 113.994 -1.457 . . . . 0.0 113.262 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -89.47 16.04 8.29 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 123.716 0.635 . . . . 0.0 110.618 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.2 m120 51.07 36.58 15.76 Favored 'General case' 0 N--CA 1.498 1.928 0 CA-C-N 115.069 -0.969 . . . . 0.0 111.364 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt -127.96 162.88 25.75 Favored 'General case' 0 N--CA 1.489 1.515 0 CA-C-N 113.268 -1.787 . . . . 0.0 106.311 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.508 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 66.7 m -73.69 171.97 12.3 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 119.126 -1.029 . . . . 0.0 111.323 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.3 t . . . . . 0 N--CA 1.493 1.709 0 CA-C-N 113.846 -1.525 . . . . 0.0 109.791 -179.947 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.483 ' HB3' ' HA ' ' A' ' 15' ' ' CYS . 0.9 OUTLIER -75.71 133.48 40.76 Favored 'General case' 0 N--CA 1.497 1.903 0 C-N-CA 120.192 -0.603 . . . . 0.0 109.625 -179.794 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.5 pt . . . . . 0 N--CA 1.494 1.772 0 CA-C-N 114.807 -1.088 . . . . 0.0 111.814 -179.773 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.7 p30 . . . . . 0 N--CA 1.501 2.109 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 11.4 tp60 -81.44 141.61 33.74 Favored 'General case' 0 N--CA 1.49 1.575 0 C-N-CA 120.524 -0.47 . . . . 0.0 110.199 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -51.95 116.47 2.18 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 124.598 1.186 . . . . 0.0 111.545 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.756 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 20.5 p -140.79 155.72 46.33 Favored 'General case' 0 N--CA 1.491 1.6 0 CA-C-N 114.648 -1.16 . . . . 0.0 109.964 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -105.61 150.23 25.59 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 124.741 1.275 . . . . 0.0 111.628 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -63.98 -31.85 73.18 Favored 'General case' 0 N--CA 1.486 1.353 0 CA-C-N 114.66 -1.155 . . . . 0.0 108.852 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -75.71 -46.77 29.3 Favored 'General case' 0 N--CA 1.493 1.681 0 CA-C-N 114.035 -1.438 . . . . 0.0 108.256 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.1 mt -113.87 70.92 0.73 Allowed 'General case' 0 N--CA 1.495 1.786 0 CA-C-N 114.641 -1.163 . . . . 0.0 108.506 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -86.34 80.73 8.61 Favored 'General case' 0 N--CA 1.496 1.826 0 CA-C-N 114.237 -1.347 . . . . 0.0 107.853 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -88.93 18.49 4.8 Favored 'General case' 0 N--CA 1.492 1.637 0 CA-C-N 113.54 -1.664 . . . . 0.0 111.886 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.756 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 70.8 m -66.97 152.63 45.39 Favored 'General case' 0 N--CA 1.488 1.475 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.704 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.5 t -63.26 -34.77 78.39 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 78.7 p -85.75 -20.05 29.86 Favored 'General case' 0 N--CA 1.485 1.292 0 CA-C-N 113.507 -1.679 . . . . 0.0 108.056 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.3 4.08 4.44 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 124.594 1.184 . . . . 0.0 110.662 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.6 mtpt -109.44 126.62 53.67 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 124.054 0.846 . . . . 0.0 109.762 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.605 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 98.4 m -120.37 119.7 33.86 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 124.043 0.839 . . . . 0.0 109.042 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -70.16 176.79 3.62 Favored 'General case' 0 N--CA 1.502 2.174 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 -63.32 -10.33 15.88 Favored 'General case' 0 N--CA 1.49 1.525 0 CA-C-N 115.373 -0.83 . . . . 0.0 112.564 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -89.14 8.58 29.33 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 124.082 0.864 . . . . 0.0 109.296 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 55.89 36.73 27.84 Favored 'General case' 0 N--CA 1.498 1.949 0 CA-C-O 122.068 0.937 . . . . 0.0 110.941 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 40.7 mtmt -129.54 159.79 35.25 Favored 'General case' 0 N--CA 1.488 1.44 0 CA-C-N 113.006 -1.906 . . . . 0.0 107.219 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 94.4 m -73.14 168.13 19.73 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 119.325 -0.95 . . . . 0.0 110.13 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 t . . . . . 0 N--CA 1.495 1.825 0 CA-C-O 116.425 -1.75 . . . . 0.0 110.482 -179.799 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.488 1.439 0 N-CA-C 105.394 -2.076 . . . . 0.0 105.394 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.15 161.59 29.83 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 113.82 1.045 . . . . 0.0 113.82 -179.595 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.2 pt . . . . . 0 N--CA 1.491 1.593 0 CA-C-N 114.512 -1.222 . . . . 0.0 111.37 179.992 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.501 2.094 0 N-CA-C 116.188 1.922 . . . . 0.0 116.188 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 44.0 tp60 -71.43 135.26 47.13 Favored 'General case' 0 N--CA 1.494 1.77 0 C-N-CA 119.769 -0.772 . . . . 0.0 110.677 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? -51.79 107.28 0.19 Allowed 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.753 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 24.8 p -137.95 154.01 49.42 Favored 'General case' 0 N--CA 1.496 1.861 0 CA-C-N 114.305 -1.316 . . . . 0.0 109.552 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -89.44 148.91 23.2 Favored 'General case' 0 N--CA 1.496 1.83 0 CA-C-N 115.553 -0.748 . . . . 0.0 111.992 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 -56.7 -16.72 6.87 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 113.924 -1.489 . . . . 0.0 111.978 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -105.24 -49.22 3.51 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 124.339 1.024 . . . . 0.0 108.284 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 53.4 mt -92.12 63.89 4.45 Favored 'General case' 0 N--CA 1.494 1.762 0 CA-C-O 122.266 1.031 . . . . 0.0 108.429 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -78.57 98.09 6.01 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-N 113.498 -1.683 . . . . 0.0 106.608 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.51 -12.18 43.63 Favored 'General case' 0 N--CA 1.493 1.716 0 CA-C-N 113.859 -1.519 . . . . 0.0 110.761 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.753 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 3.5 m -52.33 154.82 2.27 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 124.518 1.136 . . . . 0.0 113.715 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 t -71.24 -35.54 71.48 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 106.033 -1.84 . . . . 0.0 106.033 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.4 p -81.58 2.07 30.92 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-N 114.171 -1.377 . . . . 0.0 109.651 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 43.87 27.77 0.2 Allowed 'General case' 0 N--CA 1.502 2.148 0 O-C-N 124.82 1.325 . . . . 0.0 112.971 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 54.1 mttt -131.77 127.09 36.0 Favored 'General case' 0 N--CA 1.487 1.402 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.014 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.518 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 85.6 m -118.85 124.22 46.63 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 106.425 -1.694 . . . . 0.0 106.425 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 56.1 p30 -67.97 -172.42 0.29 Allowed 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.54 -14.7 62.18 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 114.745 -1.116 . . . . 0.0 113.705 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -89.2 13.77 12.51 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.3 m120 53.6 37.13 25.24 Favored 'General case' 0 N--CA 1.495 1.822 0 CA-C-O 122.1 0.952 . . . . 0.0 109.265 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -120.41 163.49 17.8 Favored 'General case' 0 N--CA 1.489 1.504 0 CA-C-N 112.667 -2.06 . . . . 0.0 106.269 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.613 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 16.2 m -79.84 175.35 10.71 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 119.676 -0.809 . . . . 0.0 111.533 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 40.2 t . . . . . 0 N--CA 1.495 1.795 0 CA-C-N 113.548 -1.66 . . . . 0.0 109.262 179.887 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.488 1.47 0 N-CA-C 106.073 -1.825 . . . . 0.0 106.073 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -77.38 148.8 35.34 Favored 'General case' 0 N--CA 1.501 2.088 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.633 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.494 1.731 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.58 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.503 2.187 0 N-CA-C 114.631 1.345 . . . . 0.0 114.631 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -68.4 125.66 27.17 Favored 'General case' 0 N--CA 1.497 1.891 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.213 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.61 103.44 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.026 0 O-C-N 124.22 0.95 . . . . 0.0 111.806 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.726 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 31.2 p -140.58 135.86 32.22 Favored 'General case' 0 N--CA 1.493 1.702 0 CA-C-N 114.112 -1.404 . . . . 0.0 109.366 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.516 ' H ' ' HB2' ' A' ' 12' ' ' LEU . 22.8 t80 -89.2 165.58 14.36 Favored 'General case' 0 N--CA 1.493 1.716 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.552 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -52.3 -43.06 64.27 Favored 'General case' 0 N--CA 1.488 1.47 0 CA-C-N 114.302 -1.317 . . . . 0.0 109.76 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 32.8 m-70 -83.05 -35.09 26.02 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-N 114.277 -1.329 . . . . 0.0 108.467 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.516 ' HB2' ' H ' ' A' ' 9' ' ' PHE . 59.5 mt -90.93 47.93 1.47 Allowed 'General case' 0 N--CA 1.496 1.863 0 O-C-N 124.218 0.949 . . . . 0.0 108.89 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.433 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 34.2 t70 -79.4 77.02 5.97 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-N 114.693 -1.139 . . . . 0.0 109.066 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -91.47 1.59 57.02 Favored 'General case' 0 N--CA 1.496 1.852 0 CA-C-N 113.111 -1.859 . . . . 0.0 113.184 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.726 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 4.4 m -62.03 158.87 15.52 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 t -73.76 -30.56 62.86 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-N 113.035 -1.893 . . . . 0.0 107.127 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.4 p -86.67 -12.96 46.87 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-N 113.485 -1.689 . . . . 0.0 108.894 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? 58.66 35.81 24.66 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 124.614 1.196 . . . . 0.0 109.116 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -137.27 123.82 20.93 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 114.303 -1.317 . . . . 0.0 110.143 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.57 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 79.9 m -122.65 115.04 21.43 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 106.157 -1.794 . . . . 0.0 106.157 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -68.55 176.1 3.1 Favored 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -56.51 -17.93 9.93 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-N 113.489 -1.687 . . . . 0.0 113.558 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -89.46 16.08 8.22 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 123.826 0.704 . . . . 0.0 110.388 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.9 m-80 51.07 38.51 20.89 Favored 'General case' 0 N--CA 1.495 1.824 0 CA-C-N 114.79 -1.096 . . . . 0.0 111.007 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.8 mttt -130.51 160.94 32.62 Favored 'General case' 0 N--CA 1.489 1.48 0 CA-C-N 113.303 -1.771 . . . . 0.0 106.553 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.589 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 55.1 m -71.13 172.19 9.63 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 119.291 -0.964 . . . . 0.0 111.62 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.7 t . . . . . 0 N--CA 1.493 1.707 0 CA-C-N 113.559 -1.655 . . . . 0.0 109.565 -179.834 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 105.658 -1.978 . . . . 0.0 105.658 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.42 ' HB3' ' HA ' ' A' ' 15' ' ' CYS . 1.4 tpp85 -73.97 145.51 44.59 Favored 'General case' 0 N--CA 1.5 2.051 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.643 -179.667 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 pt . . . . . 0 N--CA 1.492 1.666 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.83 -179.882 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.502 2.157 0 N-CA-C 115.759 1.762 . . . . 0.0 115.759 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -74.79 127.2 32.59 Favored 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.697 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -47.21 103.1 0.04 OUTLIER 'General case' 0 N--CA 1.499 1.998 0 O-C-N 124.385 1.053 . . . . 0.0 113.276 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.737 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 27.8 p -140.17 154.15 46.86 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-N 114.784 -1.098 . . . . 0.0 110.402 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -89.87 148.57 23.09 Favored 'General case' 0 N--CA 1.497 1.92 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.529 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -56.06 -33.32 64.9 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-N 114.524 -1.216 . . . . 0.0 110.943 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 28.6 m-70 -84.66 -47.51 10.42 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 124.54 1.15 . . . . 0.0 108.513 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.1 mt -95.67 61.38 2.25 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-N 114.759 -1.11 . . . . 0.0 109.069 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.474 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 0.4 OUTLIER -78.45 99.32 6.38 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-N 114.176 -1.375 . . . . 0.0 107.586 179.866 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.61 -3.04 58.88 Favored 'General case' 0 N--CA 1.494 1.736 0 CA-C-N 113.329 -1.76 . . . . 0.0 110.928 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.737 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 3.7 m -60.54 157.28 14.55 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 113.65 0.981 . . . . 0.0 113.65 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.5 t -66.63 -35.31 79.88 Favored 'General case' 0 N--CA 1.487 1.402 0 CA-C-N 113.042 -1.89 . . . . 0.0 106.277 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.9 p -85.99 -10.6 54.83 Favored 'General case' 0 N--CA 1.486 1.335 0 CA-C-N 113.44 -1.709 . . . . 0.0 108.726 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.44 24.53 13.17 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 124.289 0.993 . . . . 0.0 110.48 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 41.0 mtmt -122.61 123.52 41.37 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.43 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.525 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 94.6 m -119.3 116.11 25.54 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 106.578 -1.638 . . . . 0.0 106.578 179.748 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -66.51 178.25 1.31 Allowed 'General case' 0 N--CA 1.5 2.072 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -58.89 -16.63 18.45 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-N 114.105 -1.407 . . . . 0.0 113.514 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -89.0 13.93 11.77 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 49.58 39.72 17.81 Favored 'General case' 0 N--CA 1.494 1.763 0 CA-C-N 114.678 -1.146 . . . . 0.0 110.555 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 64.8 mttt -129.19 162.18 28.41 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 105.415 -2.069 . . . . 0.0 105.415 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.614 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 44.2 m -72.34 172.55 10.16 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 119.148 -1.021 . . . . 0.0 112.586 -179.732 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.8 t . . . . . 0 N--CA 1.493 1.684 0 CA-C-N 113.311 -1.768 . . . . 0.0 109.584 -179.872 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 105.199 -2.149 . . . . 0.0 105.199 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -74.56 148.95 40.38 Favored 'General case' 0 N--CA 1.5 2.059 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.884 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.2 pt . . . . . 0 N--CA 1.491 1.581 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.806 -179.976 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.4 p30 . . . . . 0 N--CA 1.502 2.142 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.5 ' H ' ' HB2' ' A' ' 26' ' ' CYS . 1.6 tp60 -105.31 124.82 50.19 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.3 tppt? -49.64 99.1 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.846 0 O-C-N 124.124 0.89 . . . . 0.0 113.158 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.693 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 26.5 p -128.07 145.82 50.88 Favored 'General case' 0 N--CA 1.497 1.903 0 CA-C-N 114.565 -1.198 . . . . 0.0 109.719 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -89.56 151.08 22.13 Favored 'General case' 0 N--CA 1.494 1.744 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.734 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -60.61 -34.13 73.77 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-N 113.389 -1.732 . . . . 0.0 111.04 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -74.48 -16.43 60.85 Favored 'General case' 0 N--CA 1.495 1.803 0 CA-C-N 114.536 -1.211 . . . . 0.0 111.991 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -145.17 79.49 1.59 Allowed 'General case' 0 N--CA 1.498 1.969 0 CA-C-O 122.171 0.986 . . . . 0.0 110.392 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.84 95.37 6.02 Favored 'General case' 0 N--CA 1.494 1.725 0 CA-C-N 113.846 -1.524 . . . . 0.0 108.216 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.07 -5.47 57.82 Favored 'General case' 0 N--CA 1.495 1.798 0 CA-C-N 113.296 -1.775 . . . . 0.0 110.168 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.693 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 4.5 m -58.6 155.35 12.58 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 124.198 0.936 . . . . 0.0 113.267 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.5 t -67.09 -35.85 80.7 Favored 'General case' 0 N--CA 1.49 1.537 0 CA-C-N 113.416 -1.72 . . . . 0.0 106.587 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 86.4 p -80.77 -15.47 56.35 Favored 'General case' 0 N--CA 1.488 1.459 0 CA-C-N 114.204 -1.362 . . . . 0.0 108.774 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 63.35 22.04 13.09 Favored 'General case' 0 N--CA 1.499 1.976 0 CA-C-N 114.592 -1.185 . . . . 0.0 109.276 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.3 mttt -125.46 125.11 42.8 Favored 'General case' 0 N--CA 1.488 1.447 0 CA-C-N 114.468 -1.242 . . . . 0.0 110.439 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.54 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 77.4 m -118.35 117.18 28.38 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 105.507 -2.035 . . . . 0.0 105.507 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.3 p30 -68.6 -178.92 1.24 Allowed 'General case' 0 N--CA 1.498 1.965 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -16.48 52.07 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-N 114.257 -1.338 . . . . 0.0 113.757 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -88.97 13.61 12.46 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 19.6 m120 49.86 38.15 15.23 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 124.199 0.937 . . . . 0.0 109.195 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.0 mmtp -121.73 159.61 26.26 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-N 112.652 -2.067 . . . . 0.0 105.613 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.599 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 23.6 m -78.42 171.79 14.58 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 118.932 -1.107 . . . . 0.0 110.667 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 29.1 t . . . . . 0 N--CA 1.495 1.818 0 CA-C-N 113.365 -1.743 . . . . 0.0 109.363 179.963 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.488 1.456 0 N-CA-C 106.105 -1.813 . . . . 0.0 106.105 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 16.1 mtt180 -65.79 156.08 34.27 Favored 'General case' 0 N--CA 1.501 2.111 0 CA-C-N 115.58 -0.737 . . . . 0.0 112.708 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.8 pt . . . . . 0 N--CA 1.491 1.588 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.433 -179.936 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.504 2.26 0 N-CA-C 114.96 1.467 . . . . 0.0 114.96 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.18 125.24 22.8 Favored 'General case' 0 N--CA 1.499 2.002 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.38 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.7 mmtt -54.92 106.37 0.22 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 124.283 0.989 . . . . 0.0 111.219 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.703 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 16.8 p -140.06 157.54 45.49 Favored 'General case' 0 N--CA 1.494 1.737 0 CA-C-N 114.074 -1.421 . . . . 0.0 110.325 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -89.49 151.29 22.06 Favored 'General case' 0 N--CA 1.494 1.761 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.191 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -57.53 -15.77 8.05 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-N 113.941 -1.482 . . . . 0.0 111.756 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 16.0 m170 -105.3 -45.4 4.49 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 124.497 1.123 . . . . 0.0 108.501 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.0 mt -91.29 62.33 4.68 Favored 'General case' 0 N--CA 1.496 1.875 0 CA-C-N 114.878 -1.056 . . . . 0.0 108.662 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.455 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 3.9 m-20 -80.34 85.63 5.8 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-N 113.944 -1.48 . . . . 0.0 107.497 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.62 5.13 47.07 Favored 'General case' 0 N--CA 1.497 1.924 0 CA-C-N 112.832 -1.985 . . . . 0.0 111.689 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.703 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 6.1 m -64.6 159.77 21.12 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.212 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.5 t -64.23 -34.99 79.36 Favored 'General case' 0 N--CA 1.494 1.775 0 N-CA-C 106.444 -1.687 . . . . 0.0 106.444 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.8 p -84.54 -15.91 44.14 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 113.717 -1.583 . . . . 0.0 108.687 179.599 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 59.92 31.27 20.63 Favored 'General case' 0 N--CA 1.5 2.031 0 CA-C-N 114.417 -1.265 . . . . 0.0 109.741 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.7 mtpp -127.12 122.04 33.12 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-N 114.65 -1.159 . . . . 0.0 110.033 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.474 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 74.4 m -120.02 116.12 25.1 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 52.6 p30 -66.48 -176.96 0.5 Allowed 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.1 ptp85 -59.69 -20.75 58.36 Favored 'General case' 0 N--CA 1.487 1.384 0 CA-C-N 113.479 -1.691 . . . . 0.0 113.425 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -89.22 15.29 9.17 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 123.958 0.786 . . . . 0.0 109.596 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 50.09 38.05 15.87 Favored 'General case' 0 N--CA 1.498 1.961 0 CA-C-O 122.223 1.011 . . . . 0.0 110.452 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.1 mtmm -127.11 155.42 43.34 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 112.788 -2.005 . . . . 0.0 105.915 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.574 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 69.0 m -68.56 171.05 8.07 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 -179.687 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 46.6 t . . . . . 0 N--CA 1.496 1.843 0 CA-C-N 113.181 -1.827 . . . . 0.0 109.379 179.917 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.488 1.426 0 N-CA-C 105.367 -2.086 . . . . 0.0 105.367 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -66.68 154.88 39.5 Favored 'General case' 0 N--CA 1.501 2.084 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.456 HD13 ' H ' ' A' ' 3' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.73 0 CA-C-N 115.03 -0.986 . . . . 0.0 111.01 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.501 2.117 0 N-CA-C 115.739 1.755 . . . . 0.0 115.739 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -79.93 133.12 36.19 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.03 117.74 2.27 Favored 'General case' 0 N--CA 1.495 1.794 0 CA-C-O 122.369 1.081 . . . . 0.0 113.024 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.644 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 24.4 p -141.48 173.91 11.05 Favored 'General case' 0 N--CA 1.494 1.755 0 CA-C-N 113.743 -1.571 . . . . 0.0 109.964 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -112.41 136.73 51.54 Favored 'General case' 0 N--CA 1.494 1.746 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.663 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -57.09 -38.52 73.48 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 124.109 0.881 . . . . 0.0 109.398 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 30.0 t-80 -69.08 -45.12 71.09 Favored 'General case' 0 N--CA 1.491 1.604 0 CA-C-N 114.009 -1.45 . . . . 0.0 110.187 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.6 mt -111.97 70.37 0.71 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 124.552 1.157 . . . . 0.0 108.177 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -71.67 97.66 1.78 Allowed 'General case' 0 N--CA 1.489 1.487 0 CA-C-N 113.607 -1.633 . . . . 0.0 108.405 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.69 -10.02 49.95 Favored 'General case' 0 N--CA 1.491 1.605 0 CA-C-N 113.014 -1.903 . . . . 0.0 111.951 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.644 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 5.4 m -58.82 155.58 12.78 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 t -69.43 -34.93 75.17 Favored 'General case' 0 N--CA 1.492 1.654 0 CA-C-N 113.788 -1.551 . . . . 0.0 106.952 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 94.5 p -78.84 -13.39 59.83 Favored 'General case' 0 N--CA 1.488 1.441 0 CA-C-N 113.855 -1.521 . . . . 0.0 108.961 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.9 mtm105 59.44 28.05 17.33 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 124.546 1.154 . . . . 0.0 109.175 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -129.92 124.58 33.46 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 114.134 -1.394 . . . . 0.0 109.778 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.612 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 55.4 m -124.37 115.44 20.97 Favored 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 105.888 -1.893 . . . . 0.0 105.888 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.1 p30 -68.27 177.7 2.21 Favored 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 113.213 0.82 . . . . 0.0 113.213 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.1 -13.47 17.47 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-N 114.103 -1.408 . . . . 0.0 113.254 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -89.68 12.52 16.68 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 50.0 42.51 24.72 Favored 'General case' 0 N--CA 1.494 1.76 0 CA-C-O 122.511 1.148 . . . . 0.0 110.235 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -132.11 163.83 27.63 Favored 'General case' 0 C--N 1.306 -1.283 0 CA-C-N 112.086 -2.325 . . . . 0.0 105.135 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.407 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 63.9 m -76.05 172.99 11.85 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 119.148 -1.021 . . . . 0.0 111.497 -179.684 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.3 t . . . . . 0 N--CA 1.493 1.678 0 CA-C-O 116.347 -1.787 . . . . 0.0 109.634 -179.909 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 105.649 -1.982 . . . . 0.0 105.649 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.64 155.81 39.93 Favored 'General case' 0 N--CA 1.502 2.162 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 -179.591 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 36.3 pt . . . . . 0 N--CA 1.491 1.61 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.352 -179.959 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 12.4 p30 . . . . . 0 N--CA 1.502 2.171 0 N-CA-C 116.642 2.09 . . . . 0.0 116.642 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.402 ' H ' ' HB2' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -86.39 133.5 33.78 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -44.0 98.05 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.701 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 31.1 p -140.33 146.39 38.4 Favored 'General case' 0 N--CA 1.496 1.846 0 CA-C-N 114.305 -1.316 . . . . 0.0 108.491 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -89.18 157.3 18.32 Favored 'General case' 0 N--CA 1.494 1.749 0 CA-C-O 121.675 0.75 . . . . 0.0 112.466 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -59.43 -16.68 25.1 Favored 'General case' 0 N--CA 1.489 1.504 0 CA-C-N 113.333 -1.758 . . . . 0.0 110.815 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -105.22 -33.28 8.29 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-N 114.676 -1.147 . . . . 0.0 108.721 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 73.4 mt -102.18 68.18 1.09 Allowed 'General case' 0 N--CA 1.495 1.781 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.877 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -83.98 92.79 7.92 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 113.624 -1.625 . . . . 0.0 110.344 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.95 -21.38 22.48 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-N 113.237 -1.801 . . . . 0.0 110.214 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.701 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 3.2 m -47.51 156.35 0.29 Allowed 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 -179.675 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 t -67.13 -38.23 85.2 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 105.948 -1.871 . . . . 0.0 105.948 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.4 p -80.62 -11.7 59.61 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-N 113.868 -1.515 . . . . 0.0 109.548 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.7 mmm-85 55.38 29.03 12.35 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 124.397 1.061 . . . . 0.0 110.349 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 78.8 mttt -125.12 123.67 40.2 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-N 114.218 -1.356 . . . . 0.0 108.807 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.479 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 95.6 m -122.59 115.57 22.37 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 106.572 -1.64 . . . . 0.0 106.572 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -68.05 176.34 2.7 Favored 'General case' 0 N--CA 1.496 1.83 0 CA-C-N 115.244 -0.889 . . . . 0.0 112.849 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -62.57 -12.27 21.71 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-N 114.153 -1.385 . . . . 0.0 113.142 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -89.33 12.56 15.82 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 51.75 40.73 28.22 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-N 114.695 -1.139 . . . . 0.0 111.174 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.6 mtmt -132.67 163.18 29.53 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 105.925 -1.879 . . . . 0.0 105.925 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.529 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 64.4 m -73.01 172.12 11.59 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 119.121 -1.032 . . . . 0.0 110.836 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.8 t . . . . . 0 N--CA 1.495 1.79 0 CA-C-O 117.155 -1.403 . . . . 0.0 109.939 -179.829 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.488 1.459 0 N-CA-C 105.628 -1.99 . . . . 0.0 105.628 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.15 154.96 39.97 Favored 'General case' 0 N--CA 1.501 2.11 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.1 pt . . . . . 0 N--CA 1.49 1.567 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.633 -179.825 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.504 2.24 0 N-CA-C 116.28 1.956 . . . . 0.0 116.28 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -81.33 136.79 35.78 Favored 'General case' 0 N--CA 1.495 1.798 0 C-N-CA 120.089 -0.645 . . . . 0.0 110.983 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -48.66 105.2 0.07 Allowed 'General case' 0 N--CA 1.496 1.854 0 O-C-N 124.642 1.214 . . . . 0.0 112.976 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.74 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 25.7 p -133.23 164.55 26.82 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-N 114.417 -1.265 . . . . 0.0 110.928 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -89.92 140.67 29.39 Favored 'General case' 0 N--CA 1.495 1.817 0 CA-C-N 114.629 -1.169 . . . . 0.0 111.275 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.9 mm100 -58.56 -52.0 67.52 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-N 114.916 -1.038 . . . . 0.0 109.294 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -69.16 -54.53 14.43 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-N 113.537 -1.665 . . . . 0.0 111.065 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.7 mt -92.1 67.55 5.08 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-O 122.639 1.209 . . . . 0.0 107.99 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -69.02 97.8 0.9 Allowed 'General case' 0 N--CA 1.487 1.4 0 CA-C-N 112.421 -2.172 . . . . 0.0 108.183 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -88.57 -5.07 58.42 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-N 113.137 -1.847 . . . . 0.0 111.977 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.74 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 9.0 m -63.44 159.18 18.95 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 113.688 0.995 . . . . 0.0 113.688 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 t -74.05 -35.64 64.32 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 105.607 -1.997 . . . . 0.0 105.607 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.9 p -81.19 0.9 34.43 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-N 113.817 -1.538 . . . . 0.0 109.36 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 44.1 29.62 0.36 Allowed 'General case' 0 N--CA 1.5 2.033 0 O-C-N 125.117 1.51 . . . . 0.0 112.34 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 41.5 mtmt -134.57 126.23 28.86 Favored 'General case' 0 N--CA 1.485 1.276 0 CA-C-N 114.208 -1.36 . . . . 0.0 109.812 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.634 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 65.0 m -122.64 122.96 40.05 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 106.319 -1.734 . . . . 0.0 106.319 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.466 HD22 ' H ' ' A' ' 21' ' ' ASN . 2.5 p30 -80.46 -175.85 5.39 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 114.704 1.372 . . . . 0.0 114.704 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -55.02 -25.22 28.79 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 116.913 2.19 . . . . 0.0 116.913 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -88.86 20.72 3.39 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 123.6 0.562 . . . . 0.0 109.505 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.3 m120 49.28 38.61 14.0 Favored 'General case' 0 N--CA 1.497 1.903 0 CA-C-N 114.624 -1.171 . . . . 0.0 110.253 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 71.7 mttt -123.49 169.5 11.33 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 112.914 -1.948 . . . . 0.0 107.142 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.509 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 56.2 m -79.42 175.09 10.92 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 119.993 -0.683 . . . . 0.0 112.309 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 78.5 t . . . . . 0 N--CA 1.496 1.868 0 CA-C-O 116.57 -1.681 . . . . 0.0 109.629 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 106.002 -1.851 . . . . 0.0 106.002 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.416 ' HB3' ' HA ' ' A' ' 15' ' ' CYS . 32.7 ttm-85 -78.21 137.5 38.16 Favored 'General case' 0 N--CA 1.5 2.046 0 CA-C-O 121.045 0.45 . . . . 0.0 111.124 -179.609 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 15.8 pt . . . . . 0 N--CA 1.494 1.736 0 CA-C-N 115.201 -0.909 . . . . 0.0 113.229 -179.756 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.5 p30 . . . . . 0 N--CA 1.502 2.152 0 N-CA-C 115.734 1.754 . . . . 0.0 115.734 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.408 HE22 ' NH2' ' A' ' 2' ' ' ARG . 0.3 OUTLIER -86.15 142.66 28.49 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -179.906 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.7 mmtm -50.84 104.96 0.09 Allowed 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.614 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 28.2 p -140.21 -165.47 1.91 Allowed 'General case' 0 N--CA 1.494 1.771 0 CA-C-N 114.51 -1.223 . . . . 0.0 109.186 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -136.24 151.55 49.8 Favored 'General case' 0 N--CA 1.499 1.992 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -59.15 -21.16 58.92 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-N 113.48 -1.691 . . . . 0.0 110.295 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 31.7 t-80 -98.52 -51.02 4.08 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.082 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.9 mt -93.88 66.39 3.65 Favored 'General case' 0 N--CA 1.495 1.791 0 CA-C-N 114.775 -1.102 . . . . 0.0 109.056 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -77.95 84.49 4.23 Favored 'General case' 0 N--CA 1.494 1.751 0 CA-C-N 113.339 -1.755 . . . . 0.0 108.072 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.28 5.4 45.11 Favored 'General case' 0 N--CA 1.497 1.892 0 CA-C-N 113.179 -1.828 . . . . 0.0 110.539 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.63 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 7.5 m -67.3 161.19 25.56 Favored 'General case' 0 N--CA 1.488 1.441 0 CA-C-N 115.293 -0.867 . . . . 0.0 112.52 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 t -67.06 -35.8 80.65 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 105.663 -1.977 . . . . 0.0 105.663 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.8 p -83.32 -16.19 47.13 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-N 113.777 -1.556 . . . . 0.0 108.6 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.1 ttp85 61.19 30.48 19.32 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-N 114.576 -1.193 . . . . 0.0 109.87 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp -131.38 124.55 30.55 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 114.332 -1.304 . . . . 0.0 109.679 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.63 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 94.9 m -122.61 120.25 33.18 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 106.89 -1.522 . . . . 0.0 106.89 179.649 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 56.8 p30 -70.87 -174.19 0.9 Allowed 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 113.55 0.945 . . . . 0.0 113.55 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -66.38 -17.96 65.08 Favored 'General case' 0 N--CA 1.485 1.275 0 CA-C-N 114.426 -1.261 . . . . 0.0 113.16 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -89.14 15.81 8.21 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 123.923 0.764 . . . . 0.0 110.138 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.8 m120 49.64 37.54 12.97 Favored 'General case' 0 N--CA 1.497 1.911 0 CA-C-O 122.391 1.091 . . . . 0.0 110.909 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.7 mttt -124.4 151.62 44.22 Favored 'General case' 0 N--CA 1.486 1.336 0 CA-C-N 112.55 -2.114 . . . . 0.0 105.512 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.601 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 57.1 m -71.62 172.4 9.72 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 119.268 -0.973 . . . . 0.0 110.946 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 43.4 t . . . . . 0 N--CA 1.495 1.781 0 CA-C-O 116.302 -1.808 . . . . 0.0 109.642 -179.993 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.488 1.47 0 N-CA-C 105.366 -2.086 . . . . 0.0 105.366 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 9.4 mmt85 -78.01 161.08 27.75 Favored 'General case' 0 N--CA 1.5 2.026 0 N-CA-C 114.93 1.456 . . . . 0.0 114.93 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 40.3 pt . . . . . 0 N--CA 1.491 1.608 0 CA-C-N 113.725 -1.58 . . . . 0.0 111.209 -179.978 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.504 2.244 0 N-CA-C 114.023 1.119 . . . . 0.0 114.023 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.495 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 9.4 tp-100 -61.25 123.59 18.15 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 123.435 0.46 . . . . 0.0 109.774 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.31 103.53 0.08 Allowed 'General case' 0 N--CA 1.496 1.86 0 O-C-N 124.28 0.987 . . . . 0.0 110.474 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.763 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 29.3 p -140.61 144.12 35.61 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-N 114.096 -1.411 . . . . 0.0 110.507 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -89.73 155.77 18.98 Favored 'General case' 0 N--CA 1.491 1.625 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.692 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.404 ' H ' ' CD ' ' A' ' 10' ' ' GLN . 3.6 mp0 -51.02 -35.89 36.66 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-N 113.922 -1.49 . . . . 0.0 111.254 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 26.5 m170 -85.76 -44.3 12.62 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.567 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mp -92.02 58.19 3.3 Favored 'General case' 0 N--CA 1.496 1.857 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.068 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.444 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 4.5 t0 -76.67 93.0 3.57 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-N 114.192 -1.367 . . . . 0.0 109.918 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.61 -1.33 57.99 Favored 'General case' 0 N--CA 1.493 1.699 0 CA-C-N 114.497 -1.228 . . . . 0.0 111.604 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.763 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 3.1 m -65.34 158.7 25.78 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 114.852 1.427 . . . . 0.0 114.852 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 t -78.3 -34.88 48.5 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 104.855 -2.276 . . . . 0.0 104.855 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 93.7 p -79.03 1.76 22.88 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-N 113.581 -1.645 . . . . 0.0 109.392 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 43.32 30.62 0.32 Allowed 'General case' 0 N--CA 1.5 2.064 0 O-C-N 124.789 1.306 . . . . 0.0 112.362 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 33.1 mttp -135.26 125.2 25.71 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-N 114.522 -1.217 . . . . 0.0 110.701 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.588 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 92.7 m -122.04 112.37 18.17 Favored 'General case' 0 N--CA 1.484 1.249 0 N-CA-C 105.792 -1.929 . . . . 0.0 105.792 179.762 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 55.7 p30 -62.79 -175.4 0.09 Allowed 'General case' 0 N--CA 1.497 1.921 0 N-CA-C 115.26 1.578 . . . . 0.0 115.26 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -18.28 65.12 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-N 113.437 -1.71 . . . . 0.0 113.182 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -89.29 12.29 16.5 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 123.873 0.733 . . . . 0.0 109.089 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 51.73 42.62 29.98 Favored 'General case' 0 N--CA 1.496 1.86 0 CA-C-O 122.466 1.127 . . . . 0.0 109.288 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -130.96 156.12 45.64 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-N 112.31 -2.223 . . . . 0.0 105.958 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.616 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 57.4 m -71.45 169.86 14.48 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 119.365 -0.934 . . . . 0.0 112.509 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 41.5 t . . . . . 0 N--CA 1.495 1.788 0 CA-C-N 112.775 -2.011 . . . . 0.0 109.739 -179.975 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.496 0 N-CA-C 106.661 -1.607 . . . . 0.0 106.661 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.419 ' HB3' ' HA ' ' A' ' 15' ' ' CYS . 1.0 OUTLIER -79.96 129.82 34.79 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 123.484 0.49 . . . . 0.0 109.68 -179.694 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 37.5 pt . . . . . 0 N--CA 1.494 1.751 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -179.735 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.502 2.139 0 N-CA-C 113.658 0.984 . . . . 0.0 113.658 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -64.71 135.82 56.27 Favored 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 120.349 -0.54 . . . . 0.0 109.578 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.64 119.71 7.06 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-O 122.541 1.162 . . . . 0.0 112.475 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.611 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 15.9 p -141.77 -159.02 0.92 Allowed 'General case' 0 N--CA 1.492 1.673 0 CA-C-N 113.109 -1.859 . . . . 0.0 107.867 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -146.3 153.08 40.15 Favored 'General case' 0 N--CA 1.495 1.784 0 CA-C-O 121.41 0.624 . . . . 0.0 111.09 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.443 ' H ' ' CD ' ' A' ' 10' ' ' GLN . 0.8 OUTLIER -56.23 -29.68 61.32 Favored 'General case' 0 N--CA 1.492 1.634 0 CA-C-N 113.939 -1.482 . . . . 0.0 110.174 179.791 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -84.88 -58.03 2.87 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-N 114.218 -1.356 . . . . 0.0 108.189 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.8 mt -98.09 66.47 1.83 Allowed 'General case' 0 N--CA 1.495 1.777 0 CA-C-N 114.185 -1.37 . . . . 0.0 110.175 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.546 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 1.1 p-10 -87.07 88.63 7.75 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 106.287 -1.745 . . . . 0.0 106.287 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -88.88 11.02 19.15 Favored 'General case' 0 N--CA 1.493 1.699 0 CA-C-N 113.209 -1.814 . . . . 0.0 112.444 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.682 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 4.9 m -63.55 160.21 17.07 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.416 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 t -62.3 -35.54 79.34 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 106.683 -1.599 . . . . 0.0 106.683 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.8 p -90.39 -11.53 40.25 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-N 113.691 -1.595 . . . . 0.0 109.171 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.71 27.19 15.58 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 124.422 1.076 . . . . 0.0 109.742 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -118.34 121.42 40.33 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-N 114.216 -1.356 . . . . 0.0 108.764 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.682 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 87.5 m -123.84 115.81 21.94 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 56.0 p30 -65.26 -173.68 0.14 Allowed 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.8 ptp180 -68.75 -18.08 64.15 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 114.132 -1.395 . . . . 0.0 112.746 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -89.09 15.8 8.17 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 123.884 0.74 . . . . 0.0 110.076 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 50.25 39.38 19.78 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 124.335 1.022 . . . . 0.0 110.418 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -125.52 154.58 41.9 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-N 112.742 -2.026 . . . . 0.0 105.992 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.611 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 43.0 m -74.83 170.54 15.71 Favored 'General case' 0 N--CA 1.485 1.325 0 CA-C-O 122.151 0.977 . . . . 0.0 111.772 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.6 t . . . . . 0 N--CA 1.496 1.846 0 CA-C-N 112.785 -2.007 . . . . 0.0 109.558 -179.996 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 105.25 -2.13 . . . . 0.0 105.25 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.51 153.46 42.9 Favored 'General case' 0 N--CA 1.501 2.075 0 N-CA-C 112.613 0.598 . . . . 0.0 112.613 -179.573 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.1 pt . . . . . 0 N--CA 1.491 1.62 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.738 -179.884 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.503 2.204 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -66.74 127.72 33.52 Favored 'General case' 0 N--CA 1.495 1.813 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.736 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -51.68 105.43 0.11 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 124.481 1.113 . . . . 0.0 111.475 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.64 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 9.6 p -132.66 159.55 39.27 Favored 'General case' 0 N--CA 1.495 1.819 0 CA-C-N 114.777 -1.101 . . . . 0.0 110.764 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -89.6 140.0 29.99 Favored 'General case' 0 N--CA 1.491 1.625 0 CA-C-N 114.437 -1.256 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -52.77 -31.27 37.46 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 124.458 1.099 . . . . 0.0 111.273 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 44.4 m-70 -83.35 -48.82 9.99 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-N 114.831 -1.077 . . . . 0.0 108.242 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.6 mt -91.17 55.81 2.96 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-N 114.619 -1.173 . . . . 0.0 109.539 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -78.97 87.1 4.79 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.88 1.05 55.98 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-N 113.226 -1.806 . . . . 0.0 111.465 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.64 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 6.7 m -55.55 161.13 2.14 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 124.02 0.825 . . . . 0.0 111.749 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 t -64.94 -35.55 81.52 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 91.5 p -87.06 -11.07 51.37 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-N 114.111 -1.404 . . . . 0.0 108.731 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 50.9 mtm180 56.85 31.22 19.24 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 124.46 1.1 . . . . 0.0 109.895 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.2 mttp -127.72 123.26 34.97 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-N 114.292 -1.322 . . . . 0.0 109.428 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.527 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 84.0 m -120.13 112.43 19.09 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 105.993 -1.854 . . . . 0.0 105.993 179.711 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 56.4 p30 -60.42 -173.98 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.065 0 N-CA-C 115.833 1.79 . . . . 0.0 115.833 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.6 ptt85 -64.11 -19.74 65.48 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-N 113.658 -1.61 . . . . 0.0 112.876 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -89.11 13.46 13.05 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 123.953 0.783 . . . . 0.0 109.575 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 51.54 40.04 26.1 Favored 'General case' 0 N--CA 1.499 1.996 0 CA-C-O 121.998 0.904 . . . . 0.0 109.365 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 65.6 mttt -128.47 155.72 44.35 Favored 'General case' 0 N--CA 1.489 1.483 0 CA-C-N 113.02 -1.9 . . . . 0.0 106.635 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.596 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 57.9 m -69.4 170.12 11.07 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-O 122.145 0.974 . . . . 0.0 112.934 -179.671 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 47.0 t . . . . . 0 N--CA 1.496 1.854 0 CA-C-N 112.7 -2.046 . . . . 0.0 109.365 179.89 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 105.023 -2.214 . . . . 0.0 105.023 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.647 ' HE ' ' H ' ' A' ' 3' ' ' ILE . 0.0 OUTLIER -71.95 145.09 48.65 Favored 'General case' 0 N--CA 1.501 2.106 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -179.613 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.647 ' H ' ' HE ' ' A' ' 2' ' ' ARG . 9.9 pt . . . . . 0 N--CA 1.492 1.648 0 CA-C-N 114.664 -1.153 . . . . 0.0 111.773 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.503 2.206 0 N-CA-C 115.422 1.638 . . . . 0.0 115.422 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.414 HE21 ' NH2' ' A' ' 2' ' ' ARG . 0.5 OUTLIER -74.41 129.45 37.8 Favored 'General case' 0 N--CA 1.499 1.982 0 C-N-CA 120.168 -0.613 . . . . 0.0 109.487 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.82 99.57 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 -179.752 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.673 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 28.4 p -140.73 138.98 34.59 Favored 'General case' 0 N--CA 1.496 1.831 0 CA-C-N 114.077 -1.42 . . . . 0.0 108.064 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -89.27 156.35 18.8 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-O 121.508 0.671 . . . . 0.0 111.195 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -56.34 -32.58 64.84 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-N 113.719 -1.582 . . . . 0.0 110.465 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -69.3 -33.71 73.59 Favored 'General case' 0 N--CA 1.494 1.771 0 CA-C-N 114.946 -1.025 . . . . 0.0 110.549 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.2 72.44 1.31 Allowed 'General case' 0 N--CA 1.497 1.892 0 O-C-N 124.432 1.082 . . . . 0.0 110.421 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.594 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 2.7 p-10 -88.87 80.38 7.15 Favored 'General case' 0 N--CA 1.496 1.861 0 CA-C-O 122.504 1.145 . . . . 0.0 108.612 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -89.36 13.52 13.38 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-N 113.403 -1.726 . . . . 0.0 111.918 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.673 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 17.6 m -62.63 171.01 2.21 Favored 'General case' 0 N--CA 1.492 1.673 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.989 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 t -69.1 -33.4 73.43 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 81.3 p -90.52 -10.49 43.35 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-N 113.396 -1.729 . . . . 0.0 108.99 179.538 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.06 33.81 23.57 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 124.386 1.054 . . . . 0.0 108.716 -179.72 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.85 125.04 30.8 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-N 114.161 -1.382 . . . . 0.0 110.178 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.594 ' SG ' ' HA ' ' A' ' 13' ' ' ASP . 87.5 m -124.04 115.63 21.5 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 106.477 -1.675 . . . . 0.0 106.477 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.2 p30 -66.78 176.55 1.96 Allowed 'General case' 0 N--CA 1.499 1.978 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -59.14 -14.78 11.4 Favored 'General case' 0 N--CA 1.486 1.353 0 CA-C-N 114.077 -1.419 . . . . 0.0 113.253 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -89.1 13.73 12.42 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 50.46 41.23 24.79 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 124.377 1.048 . . . . 0.0 109.991 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -132.21 158.99 40.32 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 105.484 -2.043 . . . . 0.0 105.484 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.643 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 35.8 m -70.2 174.27 5.73 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 119.131 -1.027 . . . . 0.0 111.412 -179.708 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.7 t . . . . . 0 N--CA 1.492 1.642 0 CA-C-N 114.028 -1.442 . . . . 0.0 109.791 -179.805 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 104.838 -2.282 . . . . 0.0 104.838 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.1 mmt85 -77.34 164.42 25.54 Favored 'General case' 0 N--CA 1.503 2.193 0 N-CA-C 114.333 1.234 . . . . 0.0 114.333 -179.584 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.6 pt . . . . . 0 N--CA 1.492 1.673 0 CA-C-N 114.394 -1.276 . . . . 0.0 111.005 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.7 p30 . . . . . 0 N--CA 1.503 2.176 0 N-CA-C 117.234 2.309 . . . . 0.0 117.234 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.4 125.64 27.09 Favored 'General case' 0 N--CA 1.496 1.828 0 C-N-CA 120.249 -0.58 . . . . 0.0 110.054 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -49.29 100.86 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.84 0 O-C-N 124.51 1.131 . . . . 0.0 111.845 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.676 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 29.9 p -140.13 142.7 36.0 Favored 'General case' 0 N--CA 1.493 1.707 0 CA-C-N 113.71 -1.586 . . . . 0.0 108.358 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -89.0 160.3 17.18 Favored 'General case' 0 N--CA 1.494 1.754 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.822 -179.629 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.0 mm100 -54.9 -17.84 4.16 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-N 113.552 -1.658 . . . . 0.0 111.542 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 29.0 t-80 -100.79 -39.96 7.56 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 124.357 1.035 . . . . 0.0 110.745 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.3 mt -97.14 65.12 1.99 Allowed 'General case' 0 N--CA 1.498 1.975 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.417 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -82.48 91.85 6.95 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-N 114.208 -1.36 . . . . 0.0 111.556 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -89.72 -17.35 28.45 Favored 'General case' 0 N--CA 1.494 1.744 0 CA-C-N 114.216 -1.356 . . . . 0.0 110.568 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.676 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 2.3 m -49.54 160.76 0.25 Allowed 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 t -69.64 -36.08 75.78 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 92.7 p -83.12 -9.8 59.01 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-N 113.937 -1.483 . . . . 0.0 109.124 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 54.81 31.92 16.58 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 124.498 1.124 . . . . 0.0 108.423 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.9 mttm -129.78 126.1 37.35 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-N 113.987 -1.46 . . . . 0.0 110.061 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 98.8 m -118.49 119.33 34.23 Favored 'General case' 0 C--N 1.308 -1.222 0 N-CA-C 106.389 -1.708 . . . . 0.0 106.389 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -69.3 176.96 3.02 Favored 'General case' 0 N--CA 1.498 1.968 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 -179.675 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 17.9 ptp180 -56.26 -18.98 12.09 Favored 'General case' 0 N--CA 1.489 1.476 0 CA-C-N 114.008 -1.451 . . . . 0.0 114.241 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -89.42 16.58 7.33 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 123.663 0.602 . . . . 0.0 110.31 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 50.21 38.95 18.62 Favored 'General case' 0 N--CA 1.494 1.767 0 CA-C-N 114.707 -1.133 . . . . 0.0 110.767 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.0 mtmt -127.04 164.24 21.98 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 105.946 -1.872 . . . . 0.0 105.946 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.596 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 22.9 m -74.22 172.95 10.87 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 119.092 -1.043 . . . . 0.0 112.651 -179.664 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.3 t . . . . . 0 N--CA 1.491 1.607 0 CA-C-N 112.887 -1.96 . . . . 0.0 109.512 -179.843 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.484 0 N-CA-C 105.913 -1.884 . . . . 0.0 105.913 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.419 ' CB ' ' HA ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER -59.68 138.72 57.66 Favored 'General case' 0 N--CA 1.503 2.182 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.78 -179.686 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.1 pt . . . . . 0 N--CA 1.491 1.584 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.55 179.927 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.502 2.147 0 N-CA-C 114.86 1.43 . . . . 0.0 114.86 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -72.98 130.49 40.48 Favored 'General case' 0 N--CA 1.498 1.926 0 C-N-CA 120.089 -0.644 . . . . 0.0 110.51 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.14 108.85 0.15 Allowed 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.692 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 24.4 p -140.23 157.83 44.98 Favored 'General case' 0 N--CA 1.495 1.822 0 CA-C-N 114.409 -1.268 . . . . 0.0 109.938 179.755 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -90.0 144.04 26.26 Favored 'General case' 0 N--CA 1.496 1.874 0 CA-C-N 114.795 -1.093 . . . . 0.0 110.532 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -57.02 -33.2 66.93 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-N 114.657 -1.156 . . . . 0.0 109.441 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 35.8 t-80 -79.78 -53.46 6.78 Favored 'General case' 0 N--CA 1.487 1.42 0 CA-C-N 113.784 -1.553 . . . . 0.0 110.195 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 mp -97.2 61.08 1.71 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 124.348 1.03 . . . . 0.0 108.981 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -80.23 84.61 5.88 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-N 113.439 -1.709 . . . . 0.0 107.564 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -88.64 19.12 4.12 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-N 113.893 -1.503 . . . . 0.0 111.058 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.692 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 32.5 m -68.15 163.18 23.17 Favored 'General case' 0 N--CA 1.485 1.308 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.279 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.4 t -66.25 -34.8 78.83 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 106.546 -1.65 . . . . 0.0 106.546 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.4 p -90.22 -9.59 47.52 Favored 'General case' 0 N--CA 1.486 1.327 0 CA-C-N 113.745 -1.57 . . . . 0.0 110.075 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.84 25.61 12.22 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 124.117 0.885 . . . . 0.0 110.399 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.7 mmtt -122.74 123.66 41.6 Favored 'General case' 0 N--CA 1.487 1.402 0 CA-C-N 114.738 -1.119 . . . . 0.0 109.556 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.649 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 84.5 m -125.44 112.65 16.53 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 106.992 -1.485 . . . . 0.0 106.992 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 52.8 p30 -64.6 -176.51 0.25 Allowed 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 114.81 1.411 . . . . 0.0 114.81 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -65.52 -17.16 64.35 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-N 113.672 -1.604 . . . . 0.0 112.992 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -89.22 13.78 12.5 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 123.94 0.775 . . . . 0.0 109.376 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 51.02 42.79 28.89 Favored 'General case' 0 N--CA 1.493 1.681 0 CA-C-N 114.685 -1.143 . . . . 0.0 110.229 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.3 mttt -133.72 154.3 51.06 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-N 112.799 -2.001 . . . . 0.0 106.88 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.551 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 75.8 m -67.56 169.92 8.48 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 119.611 -0.836 . . . . 0.0 112.055 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 39.9 t . . . . . 0 N--CA 1.495 1.785 0 CA-C-O 116.268 -1.825 . . . . 0.0 109.51 -179.942 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.415 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 105.462 -2.051 . . . . 0.0 105.462 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.424 HH21 ' CG ' ' A' ' 6' ' ' GLN . 5.2 mtp180 -75.45 154.42 37.04 Favored 'General case' 0 N--CA 1.502 2.169 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 -179.724 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.7 pt . . . . . 0 N--CA 1.496 1.856 0 CA-C-N 115.206 -0.907 . . . . 0.0 111.779 -179.915 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.7 p30 . . . . . 0 N--CA 1.504 2.251 0 N-CA-C 116.444 2.016 . . . . 0.0 116.444 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.496 ' H ' ' HB2' ' A' ' 26' ' ' CYS . 0.6 OUTLIER -69.58 126.89 31.11 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 110.159 -0.311 . . . . 0.0 110.159 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.406 ' NZ ' ' HB2' ' A' ' 24' ' ' ASN . 9.2 tptt -53.7 99.01 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.879 0 O-C-N 124.239 0.962 . . . . 0.0 112.494 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.705 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 25.9 p -137.26 137.6 39.2 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-N 114.252 -1.34 . . . . 0.0 107.914 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -88.87 153.84 20.73 Favored 'General case' 0 N--CA 1.493 1.684 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.378 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -49.23 -17.32 0.23 Allowed 'General case' 0 N--CA 1.495 1.791 0 CA-C-N 113.678 -1.601 . . . . 0.0 114.06 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 48.2 m-70 -90.64 -56.52 3.16 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.49 64.4 2.6 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-O 122.347 1.07 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.554 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 0.2 OUTLIER -84.47 79.91 9.4 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-N 113.561 -1.654 . . . . 0.0 106.732 179.773 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -89.0 23.51 2.37 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-N 113.56 -1.654 . . . . 0.0 111.917 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.705 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 12.7 m -73.09 163.07 28.69 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.675 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.415 ' HA ' ' HB2' ' A' ' 1' ' ' CYS . 1.7 t -69.34 -34.59 74.84 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 105.5 -2.037 . . . . 0.0 105.5 179.676 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 91.5 p -80.79 -12.13 59.49 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-N 113.679 -1.6 . . . . 0.0 107.277 179.446 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.46 20.73 10.42 Favored 'General case' 0 N--CA 1.496 1.852 0 CA-C-N 114.472 -1.24 . . . . 0.0 110.301 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.3 mttp -128.61 135.81 49.83 Favored 'General case' 0 N--CA 1.487 1.395 0 CA-C-N 114.594 -1.185 . . . . 0.0 111.17 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.554 ' SG ' ' HA ' ' A' ' 13' ' ' ASP . 86.6 m -122.39 128.32 50.8 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 106.405 -1.702 . . . . 0.0 106.405 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.435 HD22 ' H ' ' A' ' 21' ' ' ASN . 3.5 p30 -79.03 -170.85 2.38 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.4 ptp85 -55.64 -28.19 53.98 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 116.883 2.179 . . . . 0.0 116.883 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -89.18 18.96 4.57 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 123.436 0.46 . . . . 0.0 110.488 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.406 ' HB2' ' NZ ' ' A' ' 7' ' ' LYS . 6.3 m-80 49.96 44.36 25.45 Favored 'General case' 0 N--CA 1.497 1.914 0 CA-C-O 122.609 1.195 . . . . 0.0 108.881 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.3 mttt -124.95 164.87 19.17 Favored 'General case' 0 N--CA 1.487 1.413 0 CA-C-N 111.754 -2.476 . . . . 0.0 105.518 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.64 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 17.9 m -80.05 176.1 10.04 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 119.503 -0.879 . . . . 0.0 112.982 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.2 t . . . . . 0 N--CA 1.495 1.8 0 CA-C-O 116.352 -1.785 . . . . 0.0 109.599 -179.895 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 105.009 -2.219 . . . . 0.0 105.009 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.28 167.53 21.7 Favored 'General case' 0 N--CA 1.503 2.2 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 -179.51 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.492 1.63 0 CA-C-N 113.789 -1.55 . . . . 0.0 111.583 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.505 2.307 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.571 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 64.8 tp60 -56.01 119.82 6.48 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 123.266 0.354 . . . . 0.0 110.171 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.0 tptt -57.32 98.32 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.833 0 O-C-N 124.348 1.03 . . . . 0.0 110.227 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.669 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 9.0 p -127.32 153.38 46.25 Favored 'General case' 0 N--CA 1.495 1.809 0 CA-C-N 113.972 -1.467 . . . . 0.0 110.34 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -88.92 150.96 22.6 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -44.19 -38.34 3.69 Favored 'General case' 0 N--CA 1.494 1.732 0 CA-C-N 113.638 -1.619 . . . . 0.0 112.681 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -90.79 -39.18 12.52 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 124.061 0.851 . . . . 0.0 110.145 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 23.0 mt -89.88 58.89 4.38 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 124.192 0.932 . . . . 0.0 110.466 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.547 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 0.2 OUTLIER -81.7 99.77 9.11 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-N 114.482 -1.235 . . . . 0.0 108.832 179.891 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.08 -9.96 49.18 Favored 'General case' 0 N--CA 1.493 1.715 0 CA-C-N 113.226 -1.806 . . . . 0.0 110.838 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.708 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 2.2 m -52.44 151.76 3.93 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 124.405 1.066 . . . . 0.0 112.17 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 t -62.46 -41.44 98.76 Favored 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 87.9 p -77.62 -9.47 58.97 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-N 114.145 -1.389 . . . . 0.0 109.664 179.676 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.56 19.29 10.25 Favored 'General case' 0 N--CA 1.499 2.003 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.483 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 41.0 mttm -109.85 120.36 42.22 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.616 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.708 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 99.4 m -123.7 113.69 18.96 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 179.66 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 52.4 p30 -66.11 -176.07 0.38 Allowed 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 115.057 1.503 . . . . 0.0 115.057 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.94 -18.5 64.31 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-N 113.743 -1.571 . . . . 0.0 112.913 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -89.17 13.79 12.39 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 50.8 37.68 17.64 Favored 'General case' 0 N--CA 1.495 1.798 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.627 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -125.67 152.32 45.39 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-N 113.11 -1.859 . . . . 0.0 106.192 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.669 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 55.4 m -70.22 170.44 11.64 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-O 122.151 0.977 . . . . 0.0 113.39 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.8 t . . . . . 0 N--CA 1.494 1.774 0 CA-C-N 112.465 -2.152 . . . . 0.0 109.141 179.891 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.488 1.438 0 N-CA-C 105.834 -1.913 . . . . 0.0 105.834 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -72.26 160.68 31.99 Favored 'General case' 0 N--CA 1.5 2.051 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.562 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 pt . . . . . 0 N--CA 1.493 1.688 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.686 -179.83 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.504 2.257 0 N-CA-C 116.532 2.049 . . . . 0.0 116.532 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -75.19 141.14 43.65 Favored 'General case' 0 N--CA 1.498 1.957 0 C-N-CA 120.089 -0.644 . . . . 0.0 111.8 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.0 tptp -52.78 107.15 0.2 Allowed 'General case' 0 N--CA 1.497 1.894 0 CA-C-N 114.72 -1.127 . . . . 0.0 111.817 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.644 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 25.5 p -137.48 143.35 41.69 Favored 'General case' 0 N--CA 1.492 1.661 0 CA-C-N 114.368 -1.287 . . . . 0.0 109.361 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -89.67 133.16 34.79 Favored 'General case' 0 N--CA 1.494 1.73 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.304 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -52.2 -28.38 18.14 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 124.517 1.135 . . . . 0.0 112.444 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 53.5 m-70 -68.93 -41.02 78.66 Favored 'General case' 0 N--CA 1.496 1.848 0 CA-C-N 114.902 -1.044 . . . . 0.0 110.41 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.33 78.35 1.65 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 124.379 1.05 . . . . 0.0 108.799 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -67.84 96.49 0.58 Allowed 'General case' 0 N--CA 1.489 1.505 0 CA-C-N 114.08 -1.418 . . . . 0.0 107.741 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -88.27 -0.35 57.03 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-N 113.549 -1.659 . . . . 0.0 112.383 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.678 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 5.2 m -68.26 156.31 37.92 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 123.614 0.571 . . . . 0.0 112.155 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 t -71.81 -33.82 68.84 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 105.687 -1.968 . . . . 0.0 105.687 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 83.5 p -82.35 0.63 40.9 Favored 'General case' 0 N--CA 1.486 1.356 0 CA-C-N 113.573 -1.648 . . . . 0.0 109.453 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.411 HH12 ' NZ ' ' A' ' 19' ' ' LYS . 41.2 ptt85 43.33 31.84 0.43 Allowed 'General case' 0 N--CA 1.501 2.11 0 O-C-N 124.824 1.327 . . . . 0.0 112.353 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.411 ' NZ ' HH12 ' A' ' 18' ' ' ARG . 15.6 mttp -132.87 125.78 30.74 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-N 114.2 -1.364 . . . . 0.0 110.074 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.678 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 65.3 m -127.04 116.33 20.56 Favored 'General case' 0 N--CA 1.485 1.282 0 N-CA-C 107.518 -1.289 . . . . 0.0 107.518 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 55.8 p30 -66.04 -174.92 0.28 Allowed 'General case' 0 N--CA 1.498 1.955 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -65.04 -20.81 66.67 Favored 'General case' 0 N--CA 1.484 1.267 0 CA-C-N 113.875 -1.511 . . . . 0.0 113.497 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -89.02 17.61 5.64 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 123.997 0.811 . . . . 0.0 110.347 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 51.1 39.09 22.56 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 124.176 0.923 . . . . 0.0 110.073 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? -125.73 154.9 41.79 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-N 113.425 -1.716 . . . . 0.0 106.446 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.516 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 65.9 m -71.29 172.82 8.67 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 119.495 -0.882 . . . . 0.0 110.663 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 23.4 t . . . . . 0 N--CA 1.498 1.955 0 CA-C-O 116.461 -1.733 . . . . 0.0 110.171 180.0 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.488 1.454 0 N-CA-C 106.307 -1.738 . . . . 0.0 106.307 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.92 133.66 39.17 Favored 'General case' 0 N--CA 1.5 2.034 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.464 -179.65 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 29.2 pt -59.33 158.09 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.95 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 12.4 p30 48.89 10.76 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.166 0 N-CA-C 115.738 1.755 . . . . 0.0 115.738 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.403 ' H ' ' HB2' ' A' ' 26' ' ' CYS . 7.0 tp60 -85.93 128.81 34.92 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.73 103.46 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.911 0 O-C-N 124.397 1.061 . . . . 0.0 112.552 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.683 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 26.4 p -132.52 144.89 50.74 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-N 114.055 -1.43 . . . . 0.0 110.033 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -89.24 136.57 32.95 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-N 114.489 -1.232 . . . . 0.0 108.433 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -56.15 -30.74 62.58 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-N 114.461 -1.245 . . . . 0.0 110.256 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -68.21 -35.91 78.72 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-N 114.48 -1.236 . . . . 0.0 110.341 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -129.8 62.48 1.55 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 124.405 1.066 . . . . 0.0 109.961 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -68.42 93.82 0.51 Allowed 'General case' 0 N--CA 1.498 1.942 0 CA-C-N 114.524 -1.216 . . . . 0.0 108.097 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -89.1 12.16 16.49 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-N 113.401 -1.727 . . . . 0.0 111.698 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.683 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 12.3 m -67.55 159.58 29.48 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.638 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 t -63.76 -36.07 82.68 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 106.647 -1.612 . . . . 0.0 106.647 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.6 p -89.43 -9.73 49.1 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-N 113.51 -1.677 . . . . 0.0 109.802 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 64.1 mtm-85 57.15 24.52 9.84 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 124.26 0.975 . . . . 0.0 110.078 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt -122.2 123.77 42.28 Favored 'General case' 0 N--CA 1.487 1.401 0 CA-C-N 114.487 -1.233 . . . . 0.0 109.18 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.492 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 98.9 m -119.64 118.65 31.51 Favored 'General case' 0 C--N 1.309 -1.164 0 N-CA-C 106.47 -1.678 . . . . 0.0 106.47 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.2 p30 -69.53 177.87 2.74 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 123.945 0.778 . . . . 0.0 112.96 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.38 -17.51 20.87 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-N 113.994 -1.457 . . . . 0.0 113.262 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -89.47 16.04 8.29 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 123.716 0.635 . . . . 0.0 110.618 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.2 m120 51.07 36.58 15.76 Favored 'General case' 0 N--CA 1.498 1.928 0 CA-C-N 115.069 -0.969 . . . . 0.0 111.364 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt -127.96 162.88 25.75 Favored 'General case' 0 N--CA 1.489 1.515 0 CA-C-N 113.268 -1.787 . . . . 0.0 106.311 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.508 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 66.7 m -73.69 171.97 12.3 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 119.126 -1.029 . . . . 0.0 111.323 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.3 t . . . . . 0 N--CA 1.493 1.709 0 CA-C-N 113.846 -1.525 . . . . 0.0 109.791 -179.947 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.483 ' HB3' ' HA ' ' A' ' 15' ' ' CYS . 0.9 OUTLIER -75.71 133.48 40.76 Favored 'General case' 0 N--CA 1.497 1.903 0 C-N-CA 120.192 -0.603 . . . . 0.0 109.625 -179.794 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.5 pt -62.65 157.55 3.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 CA-C-N 114.807 -1.088 . . . . 0.0 111.814 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.7 p30 52.39 7.96 0.07 Allowed 'General case' 0 N--CA 1.501 2.109 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 11.4 tp60 -81.44 141.61 33.74 Favored 'General case' 0 N--CA 1.49 1.575 0 C-N-CA 120.524 -0.47 . . . . 0.0 110.199 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -51.95 116.47 2.18 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 124.598 1.186 . . . . 0.0 111.545 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.756 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 20.5 p -140.79 155.72 46.33 Favored 'General case' 0 N--CA 1.491 1.6 0 CA-C-N 114.648 -1.16 . . . . 0.0 109.964 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -105.61 150.23 25.59 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 124.741 1.275 . . . . 0.0 111.628 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -63.98 -31.85 73.18 Favored 'General case' 0 N--CA 1.486 1.353 0 CA-C-N 114.66 -1.155 . . . . 0.0 108.852 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -75.71 -46.77 29.3 Favored 'General case' 0 N--CA 1.493 1.681 0 CA-C-N 114.035 -1.438 . . . . 0.0 108.256 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.1 mt -113.87 70.92 0.73 Allowed 'General case' 0 N--CA 1.495 1.786 0 CA-C-N 114.641 -1.163 . . . . 0.0 108.506 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -86.34 80.73 8.61 Favored 'General case' 0 N--CA 1.496 1.826 0 CA-C-N 114.237 -1.347 . . . . 0.0 107.853 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -88.93 18.49 4.8 Favored 'General case' 0 N--CA 1.492 1.637 0 CA-C-N 113.54 -1.664 . . . . 0.0 111.886 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.756 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 70.8 m -66.97 152.63 45.39 Favored 'General case' 0 N--CA 1.488 1.475 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.704 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.5 t -63.26 -34.77 78.39 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 78.7 p -85.75 -20.05 29.86 Favored 'General case' 0 N--CA 1.485 1.292 0 CA-C-N 113.507 -1.679 . . . . 0.0 108.056 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.3 4.08 4.44 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 124.594 1.184 . . . . 0.0 110.662 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.6 mtpt -109.44 126.62 53.67 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 124.054 0.846 . . . . 0.0 109.762 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.605 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 98.4 m -120.37 119.7 33.86 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 124.043 0.839 . . . . 0.0 109.042 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -70.16 176.79 3.62 Favored 'General case' 0 N--CA 1.502 2.174 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 -63.32 -10.33 15.88 Favored 'General case' 0 N--CA 1.49 1.525 0 CA-C-N 115.373 -0.83 . . . . 0.0 112.564 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -89.14 8.58 29.33 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 124.082 0.864 . . . . 0.0 109.296 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 55.89 36.73 27.84 Favored 'General case' 0 N--CA 1.498 1.949 0 CA-C-O 122.068 0.937 . . . . 0.0 110.941 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 40.7 mtmt -129.54 159.79 35.25 Favored 'General case' 0 N--CA 1.488 1.44 0 CA-C-N 113.006 -1.906 . . . . 0.0 107.219 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 94.4 m -73.14 168.13 19.73 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 119.325 -0.95 . . . . 0.0 110.13 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 t . . . . . 0 N--CA 1.495 1.825 0 CA-C-O 116.425 -1.75 . . . . 0.0 110.482 -179.799 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.488 1.439 0 N-CA-C 105.394 -2.076 . . . . 0.0 105.394 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.15 161.59 29.83 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 113.82 1.045 . . . . 0.0 113.82 -179.595 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.2 pt -78.24 157.17 5.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 CA-C-N 114.512 -1.222 . . . . 0.0 111.37 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 58.96 -7.8 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.094 0 N-CA-C 116.188 1.922 . . . . 0.0 116.188 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 44.0 tp60 -71.43 135.26 47.13 Favored 'General case' 0 N--CA 1.494 1.77 0 C-N-CA 119.769 -0.772 . . . . 0.0 110.677 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? -51.79 107.28 0.19 Allowed 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.753 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 24.8 p -137.95 154.01 49.42 Favored 'General case' 0 N--CA 1.496 1.861 0 CA-C-N 114.305 -1.316 . . . . 0.0 109.552 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -89.44 148.91 23.2 Favored 'General case' 0 N--CA 1.496 1.83 0 CA-C-N 115.553 -0.748 . . . . 0.0 111.992 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 -56.7 -16.72 6.87 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 113.924 -1.489 . . . . 0.0 111.978 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -105.24 -49.22 3.51 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 124.339 1.024 . . . . 0.0 108.284 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 53.4 mt -92.12 63.89 4.45 Favored 'General case' 0 N--CA 1.494 1.762 0 CA-C-O 122.266 1.031 . . . . 0.0 108.429 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -78.57 98.09 6.01 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-N 113.498 -1.683 . . . . 0.0 106.608 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.51 -12.18 43.63 Favored 'General case' 0 N--CA 1.493 1.716 0 CA-C-N 113.859 -1.519 . . . . 0.0 110.761 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.753 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 3.5 m -52.33 154.82 2.27 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 124.518 1.136 . . . . 0.0 113.715 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 t -71.24 -35.54 71.48 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 106.033 -1.84 . . . . 0.0 106.033 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.4 p -81.58 2.07 30.92 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-N 114.171 -1.377 . . . . 0.0 109.651 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 43.87 27.77 0.2 Allowed 'General case' 0 N--CA 1.502 2.148 0 O-C-N 124.82 1.325 . . . . 0.0 112.971 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 54.1 mttt -131.77 127.09 36.0 Favored 'General case' 0 N--CA 1.487 1.402 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.014 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.518 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 85.6 m -118.85 124.22 46.63 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 106.425 -1.694 . . . . 0.0 106.425 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 56.1 p30 -67.97 -172.42 0.29 Allowed 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.54 -14.7 62.18 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 114.745 -1.116 . . . . 0.0 113.705 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -89.2 13.77 12.51 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.3 m120 53.6 37.13 25.24 Favored 'General case' 0 N--CA 1.495 1.822 0 CA-C-O 122.1 0.952 . . . . 0.0 109.265 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -120.41 163.49 17.8 Favored 'General case' 0 N--CA 1.489 1.504 0 CA-C-N 112.667 -2.06 . . . . 0.0 106.269 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.613 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 16.2 m -79.84 175.35 10.71 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 119.676 -0.809 . . . . 0.0 111.533 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 40.2 t . . . . . 0 N--CA 1.495 1.795 0 CA-C-N 113.548 -1.66 . . . . 0.0 109.262 179.887 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.488 1.47 0 N-CA-C 106.073 -1.825 . . . . 0.0 106.073 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -77.38 148.8 35.34 Favored 'General case' 0 N--CA 1.501 2.088 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.633 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.438 HD12 ' O ' ' A' ' 4' ' ' HYP . 1.0 OUTLIER -73.12 161.79 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.58 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HYP . . . . . 0.438 ' O ' HD12 ' A' ' 3' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 64.36 -7.89 0.22 Allowed 'General case' 0 N--CA 1.503 2.187 0 O-C-N 125.111 1.507 . . . . 0.0 114.631 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.406 ' H ' ' C ' ' A' ' 4' ' ' HYP . 0.5 OUTLIER -68.4 125.66 27.17 Favored 'General case' 0 N--CA 1.497 1.891 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.213 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.61 103.44 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.026 0 O-C-N 124.22 0.95 . . . . 0.0 111.806 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.726 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 31.2 p -140.58 135.86 32.22 Favored 'General case' 0 N--CA 1.493 1.702 0 CA-C-N 114.112 -1.404 . . . . 0.0 109.366 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.516 ' H ' ' HB2' ' A' ' 12' ' ' LEU . 22.8 t80 -89.2 165.58 14.36 Favored 'General case' 0 N--CA 1.493 1.716 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.552 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -52.3 -43.06 64.27 Favored 'General case' 0 N--CA 1.488 1.47 0 CA-C-N 114.302 -1.317 . . . . 0.0 109.76 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 32.8 m-70 -83.05 -35.09 26.02 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-N 114.277 -1.329 . . . . 0.0 108.467 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.516 ' HB2' ' H ' ' A' ' 9' ' ' PHE . 59.5 mt -90.93 47.93 1.47 Allowed 'General case' 0 N--CA 1.496 1.863 0 O-C-N 124.218 0.949 . . . . 0.0 108.89 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.433 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 34.2 t70 -79.4 77.02 5.97 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-N 114.693 -1.139 . . . . 0.0 109.066 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -91.47 1.59 57.02 Favored 'General case' 0 N--CA 1.496 1.852 0 CA-C-N 113.111 -1.859 . . . . 0.0 113.184 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.726 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 4.4 m -62.03 158.87 15.52 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 t -73.76 -30.56 62.86 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-N 113.035 -1.893 . . . . 0.0 107.127 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.4 p -86.67 -12.96 46.87 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-N 113.485 -1.689 . . . . 0.0 108.894 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? 58.66 35.81 24.66 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 124.614 1.196 . . . . 0.0 109.116 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -137.27 123.82 20.93 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 114.303 -1.317 . . . . 0.0 110.143 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.57 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 79.9 m -122.65 115.04 21.43 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 106.157 -1.794 . . . . 0.0 106.157 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -68.55 176.1 3.1 Favored 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -56.51 -17.93 9.93 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-N 113.489 -1.687 . . . . 0.0 113.558 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -89.46 16.08 8.22 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 123.826 0.704 . . . . 0.0 110.388 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.9 m-80 51.07 38.51 20.89 Favored 'General case' 0 N--CA 1.495 1.824 0 CA-C-N 114.79 -1.096 . . . . 0.0 111.007 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.8 mttt -130.51 160.94 32.62 Favored 'General case' 0 N--CA 1.489 1.48 0 CA-C-N 113.303 -1.771 . . . . 0.0 106.553 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.589 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 55.1 m -71.13 172.19 9.63 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 119.291 -0.964 . . . . 0.0 111.62 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.7 t . . . . . 0 N--CA 1.493 1.707 0 CA-C-N 113.559 -1.655 . . . . 0.0 109.565 -179.834 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 105.658 -1.978 . . . . 0.0 105.658 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.42 ' HB3' ' HA ' ' A' ' 15' ' ' CYS . 1.4 tpp85 -73.97 145.51 44.59 Favored 'General case' 0 N--CA 1.5 2.051 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.643 -179.667 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 pt -72.81 160.53 5.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.83 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 60.07 -2.72 0.14 Allowed 'General case' 0 N--CA 1.502 2.157 0 N-CA-C 115.759 1.762 . . . . 0.0 115.759 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -74.79 127.2 32.59 Favored 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.697 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -47.21 103.1 0.04 OUTLIER 'General case' 0 N--CA 1.499 1.998 0 O-C-N 124.385 1.053 . . . . 0.0 113.276 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.737 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 27.8 p -140.17 154.15 46.86 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-N 114.784 -1.098 . . . . 0.0 110.402 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -89.87 148.57 23.09 Favored 'General case' 0 N--CA 1.497 1.92 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.529 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -56.06 -33.32 64.9 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-N 114.524 -1.216 . . . . 0.0 110.943 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 28.6 m-70 -84.66 -47.51 10.42 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 124.54 1.15 . . . . 0.0 108.513 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.1 mt -95.67 61.38 2.25 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-N 114.759 -1.11 . . . . 0.0 109.069 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.474 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 0.4 OUTLIER -78.45 99.32 6.38 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-N 114.176 -1.375 . . . . 0.0 107.586 179.866 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.61 -3.04 58.88 Favored 'General case' 0 N--CA 1.494 1.736 0 CA-C-N 113.329 -1.76 . . . . 0.0 110.928 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.737 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 3.7 m -60.54 157.28 14.55 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 113.65 0.981 . . . . 0.0 113.65 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.5 t -66.63 -35.31 79.88 Favored 'General case' 0 N--CA 1.487 1.402 0 CA-C-N 113.042 -1.89 . . . . 0.0 106.277 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.9 p -85.99 -10.6 54.83 Favored 'General case' 0 N--CA 1.486 1.335 0 CA-C-N 113.44 -1.709 . . . . 0.0 108.726 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.44 24.53 13.17 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 124.289 0.993 . . . . 0.0 110.48 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 41.0 mtmt -122.61 123.52 41.37 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.43 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.525 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 94.6 m -119.3 116.11 25.54 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 106.578 -1.638 . . . . 0.0 106.578 179.748 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -66.51 178.25 1.31 Allowed 'General case' 0 N--CA 1.5 2.072 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -58.89 -16.63 18.45 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-N 114.105 -1.407 . . . . 0.0 113.514 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -89.0 13.93 11.77 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 49.58 39.72 17.81 Favored 'General case' 0 N--CA 1.494 1.763 0 CA-C-N 114.678 -1.146 . . . . 0.0 110.555 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 64.8 mttt -129.19 162.18 28.41 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 105.415 -2.069 . . . . 0.0 105.415 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.614 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 44.2 m -72.34 172.55 10.16 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 119.148 -1.021 . . . . 0.0 112.586 -179.732 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.8 t . . . . . 0 N--CA 1.493 1.684 0 CA-C-N 113.311 -1.768 . . . . 0.0 109.584 -179.872 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 105.199 -2.149 . . . . 0.0 105.199 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -74.56 148.95 40.38 Favored 'General case' 0 N--CA 1.5 2.059 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.884 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.2 pt -68.49 157.89 6.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.806 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.4 p30 46.24 26.39 0.45 Allowed 'General case' 0 N--CA 1.502 2.142 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.5 ' H ' ' HB2' ' A' ' 26' ' ' CYS . 1.6 tp60 -105.31 124.82 50.19 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.3 tppt? -49.64 99.1 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.846 0 O-C-N 124.124 0.89 . . . . 0.0 113.158 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.693 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 26.5 p -128.07 145.82 50.88 Favored 'General case' 0 N--CA 1.497 1.903 0 CA-C-N 114.565 -1.198 . . . . 0.0 109.719 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -89.56 151.08 22.13 Favored 'General case' 0 N--CA 1.494 1.744 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.734 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -60.61 -34.13 73.77 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-N 113.389 -1.732 . . . . 0.0 111.04 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -74.48 -16.43 60.85 Favored 'General case' 0 N--CA 1.495 1.803 0 CA-C-N 114.536 -1.211 . . . . 0.0 111.991 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -145.17 79.49 1.59 Allowed 'General case' 0 N--CA 1.498 1.969 0 CA-C-O 122.171 0.986 . . . . 0.0 110.392 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.84 95.37 6.02 Favored 'General case' 0 N--CA 1.494 1.725 0 CA-C-N 113.846 -1.524 . . . . 0.0 108.216 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.07 -5.47 57.82 Favored 'General case' 0 N--CA 1.495 1.798 0 CA-C-N 113.296 -1.775 . . . . 0.0 110.168 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.693 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 4.5 m -58.6 155.35 12.58 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 124.198 0.936 . . . . 0.0 113.267 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.5 t -67.09 -35.85 80.7 Favored 'General case' 0 N--CA 1.49 1.537 0 CA-C-N 113.416 -1.72 . . . . 0.0 106.587 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 86.4 p -80.77 -15.47 56.35 Favored 'General case' 0 N--CA 1.488 1.459 0 CA-C-N 114.204 -1.362 . . . . 0.0 108.774 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 63.35 22.04 13.09 Favored 'General case' 0 N--CA 1.499 1.976 0 CA-C-N 114.592 -1.185 . . . . 0.0 109.276 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.3 mttt -125.46 125.11 42.8 Favored 'General case' 0 N--CA 1.488 1.447 0 CA-C-N 114.468 -1.242 . . . . 0.0 110.439 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.54 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 77.4 m -118.35 117.18 28.38 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 105.507 -2.035 . . . . 0.0 105.507 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.3 p30 -68.6 -178.92 1.24 Allowed 'General case' 0 N--CA 1.498 1.965 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -16.48 52.07 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-N 114.257 -1.338 . . . . 0.0 113.757 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -88.97 13.61 12.46 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 19.6 m120 49.86 38.15 15.23 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 124.199 0.937 . . . . 0.0 109.195 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.0 mmtp -121.73 159.61 26.26 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-N 112.652 -2.067 . . . . 0.0 105.613 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.599 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 23.6 m -78.42 171.79 14.58 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 118.932 -1.107 . . . . 0.0 110.667 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 29.1 t . . . . . 0 N--CA 1.495 1.818 0 CA-C-N 113.365 -1.743 . . . . 0.0 109.363 179.963 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.488 1.456 0 N-CA-C 106.105 -1.813 . . . . 0.0 106.105 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 16.1 mtt180 -65.79 156.08 34.27 Favored 'General case' 0 N--CA 1.501 2.111 0 CA-C-N 115.58 -0.737 . . . . 0.0 112.708 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.8 pt -73.91 171.0 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.433 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 68.19 -10.39 0.43 Allowed 'General case' 0 N--CA 1.504 2.26 0 O-C-N 125.303 1.627 . . . . 0.0 114.96 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.18 125.24 22.8 Favored 'General case' 0 N--CA 1.499 2.002 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.38 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.7 mmtt -54.92 106.37 0.22 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 124.283 0.989 . . . . 0.0 111.219 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.703 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 16.8 p -140.06 157.54 45.49 Favored 'General case' 0 N--CA 1.494 1.737 0 CA-C-N 114.074 -1.421 . . . . 0.0 110.325 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -89.49 151.29 22.06 Favored 'General case' 0 N--CA 1.494 1.761 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.191 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -57.53 -15.77 8.05 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-N 113.941 -1.482 . . . . 0.0 111.756 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 16.0 m170 -105.3 -45.4 4.49 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 124.497 1.123 . . . . 0.0 108.501 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.0 mt -91.29 62.33 4.68 Favored 'General case' 0 N--CA 1.496 1.875 0 CA-C-N 114.878 -1.056 . . . . 0.0 108.662 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.455 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 3.9 m-20 -80.34 85.63 5.8 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-N 113.944 -1.48 . . . . 0.0 107.497 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.62 5.13 47.07 Favored 'General case' 0 N--CA 1.497 1.924 0 CA-C-N 112.832 -1.985 . . . . 0.0 111.689 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.703 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 6.1 m -64.6 159.77 21.12 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.212 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.5 t -64.23 -34.99 79.36 Favored 'General case' 0 N--CA 1.494 1.775 0 N-CA-C 106.444 -1.687 . . . . 0.0 106.444 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.8 p -84.54 -15.91 44.14 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 113.717 -1.583 . . . . 0.0 108.687 179.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 59.92 31.27 20.63 Favored 'General case' 0 N--CA 1.5 2.031 0 CA-C-N 114.417 -1.265 . . . . 0.0 109.741 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.7 mtpp -127.12 122.04 33.12 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-N 114.65 -1.159 . . . . 0.0 110.033 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.474 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 74.4 m -120.02 116.12 25.1 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 52.6 p30 -66.48 -176.96 0.5 Allowed 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.1 ptp85 -59.69 -20.75 58.36 Favored 'General case' 0 N--CA 1.487 1.384 0 CA-C-N 113.479 -1.691 . . . . 0.0 113.425 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -89.22 15.29 9.17 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 123.958 0.786 . . . . 0.0 109.596 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 50.09 38.05 15.87 Favored 'General case' 0 N--CA 1.498 1.961 0 CA-C-O 122.223 1.011 . . . . 0.0 110.452 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.1 mtmm -127.11 155.42 43.34 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 112.788 -2.005 . . . . 0.0 105.915 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.574 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 69.0 m -68.56 171.05 8.07 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 -179.687 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 46.6 t . . . . . 0 N--CA 1.496 1.843 0 CA-C-N 113.181 -1.827 . . . . 0.0 109.379 179.917 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.488 1.426 0 N-CA-C 105.367 -2.086 . . . . 0.0 105.367 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -66.68 154.88 39.5 Favored 'General case' 0 N--CA 1.501 2.084 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.456 HD13 ' H ' ' A' ' 3' ' ' ILE . 0.0 OUTLIER -80.39 155.54 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 CA-C-N 115.03 -0.986 . . . . 0.0 111.01 -179.92 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HYP . . . . . 0.433 ' C ' ' H ' ' A' ' 6' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 52.83 1.67 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.117 0 N-CA-C 115.739 1.755 . . . . 0.0 115.739 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.433 ' H ' ' C ' ' A' ' 4' ' ' HYP . 0.8 OUTLIER -79.93 133.12 36.19 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.03 117.74 2.27 Favored 'General case' 0 N--CA 1.495 1.794 0 CA-C-O 122.369 1.081 . . . . 0.0 113.024 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.644 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 24.4 p -141.48 173.91 11.05 Favored 'General case' 0 N--CA 1.494 1.755 0 CA-C-N 113.743 -1.571 . . . . 0.0 109.964 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -112.41 136.73 51.54 Favored 'General case' 0 N--CA 1.494 1.746 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.663 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -57.09 -38.52 73.48 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 124.109 0.881 . . . . 0.0 109.398 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 30.0 t-80 -69.08 -45.12 71.09 Favored 'General case' 0 N--CA 1.491 1.604 0 CA-C-N 114.009 -1.45 . . . . 0.0 110.187 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.6 mt -111.97 70.37 0.71 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 124.552 1.157 . . . . 0.0 108.177 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -71.67 97.66 1.78 Allowed 'General case' 0 N--CA 1.489 1.487 0 CA-C-N 113.607 -1.633 . . . . 0.0 108.405 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.69 -10.02 49.95 Favored 'General case' 0 N--CA 1.491 1.605 0 CA-C-N 113.014 -1.903 . . . . 0.0 111.951 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.644 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 5.4 m -58.82 155.58 12.78 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 t -69.43 -34.93 75.17 Favored 'General case' 0 N--CA 1.492 1.654 0 CA-C-N 113.788 -1.551 . . . . 0.0 106.952 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 94.5 p -78.84 -13.39 59.83 Favored 'General case' 0 N--CA 1.488 1.441 0 CA-C-N 113.855 -1.521 . . . . 0.0 108.961 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.9 mtm105 59.44 28.05 17.33 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 124.546 1.154 . . . . 0.0 109.175 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -129.92 124.58 33.46 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 114.134 -1.394 . . . . 0.0 109.778 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.612 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 55.4 m -124.37 115.44 20.97 Favored 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 105.888 -1.893 . . . . 0.0 105.888 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.1 p30 -68.27 177.7 2.21 Favored 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 113.213 0.82 . . . . 0.0 113.213 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.1 -13.47 17.47 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-N 114.103 -1.408 . . . . 0.0 113.254 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -89.68 12.52 16.68 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 50.0 42.51 24.72 Favored 'General case' 0 N--CA 1.494 1.76 0 CA-C-O 122.511 1.148 . . . . 0.0 110.235 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -132.11 163.83 27.63 Favored 'General case' 0 C--N 1.306 -1.283 0 CA-C-N 112.086 -2.325 . . . . 0.0 105.135 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.407 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 63.9 m -76.05 172.99 11.85 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 119.148 -1.021 . . . . 0.0 111.497 -179.684 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.3 t . . . . . 0 N--CA 1.493 1.678 0 CA-C-O 116.347 -1.787 . . . . 0.0 109.634 -179.909 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 105.649 -1.982 . . . . 0.0 105.649 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.64 155.81 39.93 Favored 'General case' 0 N--CA 1.502 2.162 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 -179.591 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 36.3 pt -80.16 157.86 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.352 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 12.4 p30 48.61 10.78 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.171 0 N-CA-C 116.642 2.09 . . . . 0.0 116.642 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.402 ' H ' ' HB2' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -86.39 133.5 33.78 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -44.0 98.05 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.701 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 31.1 p -140.33 146.39 38.4 Favored 'General case' 0 N--CA 1.496 1.846 0 CA-C-N 114.305 -1.316 . . . . 0.0 108.491 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -89.18 157.3 18.32 Favored 'General case' 0 N--CA 1.494 1.749 0 CA-C-O 121.675 0.75 . . . . 0.0 112.466 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -59.43 -16.68 25.1 Favored 'General case' 0 N--CA 1.489 1.504 0 CA-C-N 113.333 -1.758 . . . . 0.0 110.815 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -105.22 -33.28 8.29 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-N 114.676 -1.147 . . . . 0.0 108.721 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 73.4 mt -102.18 68.18 1.09 Allowed 'General case' 0 N--CA 1.495 1.781 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.877 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -83.98 92.79 7.92 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 113.624 -1.625 . . . . 0.0 110.344 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.95 -21.38 22.48 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-N 113.237 -1.801 . . . . 0.0 110.214 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.701 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 3.2 m -47.51 156.35 0.29 Allowed 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 -179.675 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 t -67.13 -38.23 85.2 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 105.948 -1.871 . . . . 0.0 105.948 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.4 p -80.62 -11.7 59.61 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-N 113.868 -1.515 . . . . 0.0 109.548 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.7 mmm-85 55.38 29.03 12.35 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 124.397 1.061 . . . . 0.0 110.349 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 78.8 mttt -125.12 123.67 40.2 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-N 114.218 -1.356 . . . . 0.0 108.807 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.479 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 95.6 m -122.59 115.57 22.37 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 106.572 -1.64 . . . . 0.0 106.572 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -68.05 176.34 2.7 Favored 'General case' 0 N--CA 1.496 1.83 0 CA-C-N 115.244 -0.889 . . . . 0.0 112.849 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -62.57 -12.27 21.71 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-N 114.153 -1.385 . . . . 0.0 113.142 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -89.33 12.56 15.82 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 51.75 40.73 28.22 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-N 114.695 -1.139 . . . . 0.0 111.174 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.6 mtmt -132.67 163.18 29.53 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 105.925 -1.879 . . . . 0.0 105.925 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.529 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 64.4 m -73.01 172.12 11.59 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 119.121 -1.032 . . . . 0.0 110.836 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.8 t . . . . . 0 N--CA 1.495 1.79 0 CA-C-O 117.155 -1.403 . . . . 0.0 109.939 -179.829 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.488 1.459 0 N-CA-C 105.628 -1.99 . . . . 0.0 105.628 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.15 154.96 39.97 Favored 'General case' 0 N--CA 1.501 2.11 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.1 pt -77.22 154.81 5.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.633 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 60.04 -0.8 0.21 Allowed 'General case' 0 N--CA 1.504 2.24 0 N-CA-C 116.28 1.956 . . . . 0.0 116.28 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -81.33 136.79 35.78 Favored 'General case' 0 N--CA 1.495 1.798 0 C-N-CA 120.089 -0.645 . . . . 0.0 110.983 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -48.66 105.2 0.07 Allowed 'General case' 0 N--CA 1.496 1.854 0 O-C-N 124.642 1.214 . . . . 0.0 112.976 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.74 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 25.7 p -133.23 164.55 26.82 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-N 114.417 -1.265 . . . . 0.0 110.928 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -89.92 140.67 29.39 Favored 'General case' 0 N--CA 1.495 1.817 0 CA-C-N 114.629 -1.169 . . . . 0.0 111.275 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.9 mm100 -58.56 -52.0 67.52 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-N 114.916 -1.038 . . . . 0.0 109.294 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -69.16 -54.53 14.43 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-N 113.537 -1.665 . . . . 0.0 111.065 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.7 mt -92.1 67.55 5.08 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-O 122.639 1.209 . . . . 0.0 107.99 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -69.02 97.8 0.9 Allowed 'General case' 0 N--CA 1.487 1.4 0 CA-C-N 112.421 -2.172 . . . . 0.0 108.183 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -88.57 -5.07 58.42 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-N 113.137 -1.847 . . . . 0.0 111.977 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.74 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 9.0 m -63.44 159.18 18.95 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 113.688 0.995 . . . . 0.0 113.688 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 t -74.05 -35.64 64.32 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 105.607 -1.997 . . . . 0.0 105.607 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.9 p -81.19 0.9 34.43 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-N 113.817 -1.538 . . . . 0.0 109.36 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 44.1 29.62 0.36 Allowed 'General case' 0 N--CA 1.5 2.033 0 O-C-N 125.117 1.51 . . . . 0.0 112.34 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 41.5 mtmt -134.57 126.23 28.86 Favored 'General case' 0 N--CA 1.485 1.276 0 CA-C-N 114.208 -1.36 . . . . 0.0 109.812 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.634 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 65.0 m -122.64 122.96 40.05 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 106.319 -1.734 . . . . 0.0 106.319 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.466 HD22 ' H ' ' A' ' 21' ' ' ASN . 2.5 p30 -80.46 -175.85 5.39 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 114.704 1.372 . . . . 0.0 114.704 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -55.02 -25.22 28.79 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 116.913 2.19 . . . . 0.0 116.913 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -88.86 20.72 3.39 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 123.6 0.562 . . . . 0.0 109.505 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.3 m120 49.28 38.61 14.0 Favored 'General case' 0 N--CA 1.497 1.903 0 CA-C-N 114.624 -1.171 . . . . 0.0 110.253 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 71.7 mttt -123.49 169.5 11.33 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 112.914 -1.948 . . . . 0.0 107.142 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.509 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 56.2 m -79.42 175.09 10.92 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 119.993 -0.683 . . . . 0.0 112.309 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 78.5 t . . . . . 0 N--CA 1.496 1.868 0 CA-C-O 116.57 -1.681 . . . . 0.0 109.629 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 106.002 -1.851 . . . . 0.0 106.002 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.416 ' HB3' ' HA ' ' A' ' 15' ' ' CYS . 32.7 ttm-85 -78.21 137.5 38.16 Favored 'General case' 0 N--CA 1.5 2.046 0 CA-C-O 121.045 0.45 . . . . 0.0 111.124 -179.609 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 15.8 pt -60.1 157.07 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 CA-C-N 115.201 -0.909 . . . . 0.0 113.229 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 47.1 11.13 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.152 0 N-CA-C 115.734 1.754 . . . . 0.0 115.734 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.408 HE22 ' NH2' ' A' ' 2' ' ' ARG . 0.3 OUTLIER -86.15 142.66 28.49 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -179.906 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.7 mmtm -50.84 104.96 0.09 Allowed 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.614 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 28.2 p -140.21 -165.47 1.91 Allowed 'General case' 0 N--CA 1.494 1.771 0 CA-C-N 114.51 -1.223 . . . . 0.0 109.186 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -136.24 151.55 49.8 Favored 'General case' 0 N--CA 1.499 1.992 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -59.15 -21.16 58.92 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-N 113.48 -1.691 . . . . 0.0 110.295 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 31.7 t-80 -98.52 -51.02 4.08 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.082 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.9 mt -93.88 66.39 3.65 Favored 'General case' 0 N--CA 1.495 1.791 0 CA-C-N 114.775 -1.102 . . . . 0.0 109.056 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -77.95 84.49 4.23 Favored 'General case' 0 N--CA 1.494 1.751 0 CA-C-N 113.339 -1.755 . . . . 0.0 108.072 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.28 5.4 45.11 Favored 'General case' 0 N--CA 1.497 1.892 0 CA-C-N 113.179 -1.828 . . . . 0.0 110.539 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.63 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 7.5 m -67.3 161.19 25.56 Favored 'General case' 0 N--CA 1.488 1.441 0 CA-C-N 115.293 -0.867 . . . . 0.0 112.52 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 t -67.06 -35.8 80.65 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 105.663 -1.977 . . . . 0.0 105.663 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.8 p -83.32 -16.19 47.13 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-N 113.777 -1.556 . . . . 0.0 108.6 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.1 ttp85 61.19 30.48 19.32 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-N 114.576 -1.193 . . . . 0.0 109.87 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp -131.38 124.55 30.55 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 114.332 -1.304 . . . . 0.0 109.679 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.63 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 94.9 m -122.61 120.25 33.18 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 106.89 -1.522 . . . . 0.0 106.89 179.649 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 56.8 p30 -70.87 -174.19 0.9 Allowed 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 113.55 0.945 . . . . 0.0 113.55 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -66.38 -17.96 65.08 Favored 'General case' 0 N--CA 1.485 1.275 0 CA-C-N 114.426 -1.261 . . . . 0.0 113.16 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -89.14 15.81 8.21 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 123.923 0.764 . . . . 0.0 110.138 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.8 m120 49.64 37.54 12.97 Favored 'General case' 0 N--CA 1.497 1.911 0 CA-C-O 122.391 1.091 . . . . 0.0 110.909 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.7 mttt -124.4 151.62 44.22 Favored 'General case' 0 N--CA 1.486 1.336 0 CA-C-N 112.55 -2.114 . . . . 0.0 105.512 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.601 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 57.1 m -71.62 172.4 9.72 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 119.268 -0.973 . . . . 0.0 110.946 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 43.4 t . . . . . 0 N--CA 1.495 1.781 0 CA-C-O 116.302 -1.808 . . . . 0.0 109.642 -179.993 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.488 1.47 0 N-CA-C 105.366 -2.086 . . . . 0.0 105.366 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 9.4 mmt85 -78.01 161.08 27.75 Favored 'General case' 0 N--CA 1.5 2.026 0 N-CA-C 114.93 1.456 . . . . 0.0 114.93 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 40.3 pt -73.22 164.37 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 CA-C-N 113.725 -1.58 . . . . 0.0 111.209 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 74.27 -10.46 1.13 Allowed 'General case' 0 N--CA 1.504 2.244 0 O-C-N 125.541 1.776 . . . . 0.0 114.023 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.495 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 9.4 tp-100 -61.25 123.59 18.15 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 123.435 0.46 . . . . 0.0 109.774 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.31 103.53 0.08 Allowed 'General case' 0 N--CA 1.496 1.86 0 O-C-N 124.28 0.987 . . . . 0.0 110.474 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.763 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 29.3 p -140.61 144.12 35.61 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-N 114.096 -1.411 . . . . 0.0 110.507 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -89.73 155.77 18.98 Favored 'General case' 0 N--CA 1.491 1.625 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.692 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.404 ' H ' ' CD ' ' A' ' 10' ' ' GLN . 3.6 mp0 -51.02 -35.89 36.66 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-N 113.922 -1.49 . . . . 0.0 111.254 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 26.5 m170 -85.76 -44.3 12.62 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.567 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mp -92.02 58.19 3.3 Favored 'General case' 0 N--CA 1.496 1.857 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.068 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.444 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 4.5 t0 -76.67 93.0 3.57 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-N 114.192 -1.367 . . . . 0.0 109.918 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.61 -1.33 57.99 Favored 'General case' 0 N--CA 1.493 1.699 0 CA-C-N 114.497 -1.228 . . . . 0.0 111.604 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.763 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 3.1 m -65.34 158.7 25.78 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 114.852 1.427 . . . . 0.0 114.852 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 t -78.3 -34.88 48.5 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 104.855 -2.276 . . . . 0.0 104.855 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 93.7 p -79.03 1.76 22.88 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-N 113.581 -1.645 . . . . 0.0 109.392 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 43.32 30.62 0.32 Allowed 'General case' 0 N--CA 1.5 2.064 0 O-C-N 124.789 1.306 . . . . 0.0 112.362 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 33.1 mttp -135.26 125.2 25.71 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-N 114.522 -1.217 . . . . 0.0 110.701 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.588 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 92.7 m -122.04 112.37 18.17 Favored 'General case' 0 N--CA 1.484 1.249 0 N-CA-C 105.792 -1.929 . . . . 0.0 105.792 179.762 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 55.7 p30 -62.79 -175.4 0.09 Allowed 'General case' 0 N--CA 1.497 1.921 0 N-CA-C 115.26 1.578 . . . . 0.0 115.26 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -18.28 65.12 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-N 113.437 -1.71 . . . . 0.0 113.182 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -89.29 12.29 16.5 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 123.873 0.733 . . . . 0.0 109.089 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 51.73 42.62 29.98 Favored 'General case' 0 N--CA 1.496 1.86 0 CA-C-O 122.466 1.127 . . . . 0.0 109.288 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -130.96 156.12 45.64 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-N 112.31 -2.223 . . . . 0.0 105.958 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.616 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 57.4 m -71.45 169.86 14.48 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 119.365 -0.934 . . . . 0.0 112.509 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 41.5 t . . . . . 0 N--CA 1.495 1.788 0 CA-C-N 112.775 -2.011 . . . . 0.0 109.739 -179.975 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.496 0 N-CA-C 106.661 -1.607 . . . . 0.0 106.661 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.419 ' HB3' ' HA ' ' A' ' 15' ' ' CYS . 1.0 OUTLIER -79.96 129.82 34.79 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 123.484 0.49 . . . . 0.0 109.68 -179.694 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 37.5 pt -58.31 153.45 3.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' HYP . . . . . 0.452 ' C ' ' H ' ' A' ' 6' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 64.82 -13.45 0.11 Allowed 'General case' 0 N--CA 1.502 2.139 0 O-C-N 125.474 1.734 . . . . 0.0 113.658 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.452 ' H ' ' C ' ' A' ' 4' ' ' HYP . 8.6 tp-100 -64.71 135.82 56.27 Favored 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 120.349 -0.54 . . . . 0.0 109.578 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.64 119.71 7.06 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-O 122.541 1.162 . . . . 0.0 112.475 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.611 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 15.9 p -141.77 -159.02 0.92 Allowed 'General case' 0 N--CA 1.492 1.673 0 CA-C-N 113.109 -1.859 . . . . 0.0 107.867 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -146.3 153.08 40.15 Favored 'General case' 0 N--CA 1.495 1.784 0 CA-C-O 121.41 0.624 . . . . 0.0 111.09 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.443 ' H ' ' CD ' ' A' ' 10' ' ' GLN . 0.8 OUTLIER -56.23 -29.68 61.32 Favored 'General case' 0 N--CA 1.492 1.634 0 CA-C-N 113.939 -1.482 . . . . 0.0 110.174 179.791 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -84.88 -58.03 2.87 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-N 114.218 -1.356 . . . . 0.0 108.189 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.8 mt -98.09 66.47 1.83 Allowed 'General case' 0 N--CA 1.495 1.777 0 CA-C-N 114.185 -1.37 . . . . 0.0 110.175 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.546 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 1.1 p-10 -87.07 88.63 7.75 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 106.287 -1.745 . . . . 0.0 106.287 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -88.88 11.02 19.15 Favored 'General case' 0 N--CA 1.493 1.699 0 CA-C-N 113.209 -1.814 . . . . 0.0 112.444 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.682 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 4.9 m -63.55 160.21 17.07 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.416 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 t -62.3 -35.54 79.34 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 106.683 -1.599 . . . . 0.0 106.683 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.8 p -90.39 -11.53 40.25 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-N 113.691 -1.595 . . . . 0.0 109.171 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.71 27.19 15.58 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 124.422 1.076 . . . . 0.0 109.742 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -118.34 121.42 40.33 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-N 114.216 -1.356 . . . . 0.0 108.764 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.682 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 87.5 m -123.84 115.81 21.94 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 56.0 p30 -65.26 -173.68 0.14 Allowed 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.8 ptp180 -68.75 -18.08 64.15 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 114.132 -1.395 . . . . 0.0 112.746 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -89.09 15.8 8.17 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 123.884 0.74 . . . . 0.0 110.076 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 50.25 39.38 19.78 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 124.335 1.022 . . . . 0.0 110.418 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -125.52 154.58 41.9 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-N 112.742 -2.026 . . . . 0.0 105.992 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.611 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 43.0 m -74.83 170.54 15.71 Favored 'General case' 0 N--CA 1.485 1.325 0 CA-C-O 122.151 0.977 . . . . 0.0 111.772 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.6 t . . . . . 0 N--CA 1.496 1.846 0 CA-C-N 112.785 -2.007 . . . . 0.0 109.558 -179.996 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 105.25 -2.13 . . . . 0.0 105.25 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.51 153.46 42.9 Favored 'General case' 0 N--CA 1.501 2.075 0 N-CA-C 112.613 0.598 . . . . 0.0 112.613 -179.573 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.1 pt -74.85 153.59 6.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.738 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 63.71 -10.66 0.12 Allowed 'General case' 0 N--CA 1.503 2.204 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -66.74 127.72 33.52 Favored 'General case' 0 N--CA 1.495 1.813 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.736 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -51.68 105.43 0.11 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 124.481 1.113 . . . . 0.0 111.475 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.64 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 9.6 p -132.66 159.55 39.27 Favored 'General case' 0 N--CA 1.495 1.819 0 CA-C-N 114.777 -1.101 . . . . 0.0 110.764 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -89.6 140.0 29.99 Favored 'General case' 0 N--CA 1.491 1.625 0 CA-C-N 114.437 -1.256 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -52.77 -31.27 37.46 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 124.458 1.099 . . . . 0.0 111.273 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 44.4 m-70 -83.35 -48.82 9.99 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-N 114.831 -1.077 . . . . 0.0 108.242 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.6 mt -91.17 55.81 2.96 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-N 114.619 -1.173 . . . . 0.0 109.539 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -78.97 87.1 4.79 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.88 1.05 55.98 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-N 113.226 -1.806 . . . . 0.0 111.465 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.64 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 6.7 m -55.55 161.13 2.14 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 124.02 0.825 . . . . 0.0 111.749 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 t -64.94 -35.55 81.52 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 91.5 p -87.06 -11.07 51.37 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-N 114.111 -1.404 . . . . 0.0 108.731 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 50.9 mtm180 56.85 31.22 19.24 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 124.46 1.1 . . . . 0.0 109.895 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.2 mttp -127.72 123.26 34.97 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-N 114.292 -1.322 . . . . 0.0 109.428 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.527 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 84.0 m -120.13 112.43 19.09 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 105.993 -1.854 . . . . 0.0 105.993 179.711 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 56.4 p30 -60.42 -173.98 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.065 0 N-CA-C 115.833 1.79 . . . . 0.0 115.833 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.6 ptt85 -64.11 -19.74 65.48 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-N 113.658 -1.61 . . . . 0.0 112.876 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -89.11 13.46 13.05 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 123.953 0.783 . . . . 0.0 109.575 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 51.54 40.04 26.1 Favored 'General case' 0 N--CA 1.499 1.996 0 CA-C-O 121.998 0.904 . . . . 0.0 109.365 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 65.6 mttt -128.47 155.72 44.35 Favored 'General case' 0 N--CA 1.489 1.483 0 CA-C-N 113.02 -1.9 . . . . 0.0 106.635 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.596 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 57.9 m -69.4 170.12 11.07 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-O 122.145 0.974 . . . . 0.0 112.934 -179.671 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 47.0 t . . . . . 0 N--CA 1.496 1.854 0 CA-C-N 112.7 -2.046 . . . . 0.0 109.365 179.89 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 105.023 -2.214 . . . . 0.0 105.023 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.647 ' HE ' ' H ' ' A' ' 3' ' ' ILE . 0.0 OUTLIER -71.95 145.09 48.65 Favored 'General case' 0 N--CA 1.501 2.106 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -179.613 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.647 ' H ' ' HE ' ' A' ' 2' ' ' ARG . 9.9 pt -65.27 155.24 6.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 CA-C-N 114.664 -1.153 . . . . 0.0 111.773 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 59.37 0.21 0.19 Allowed 'General case' 0 N--CA 1.503 2.206 0 N-CA-C 115.422 1.638 . . . . 0.0 115.422 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.414 HE21 ' NH2' ' A' ' 2' ' ' ARG . 0.5 OUTLIER -74.41 129.45 37.8 Favored 'General case' 0 N--CA 1.499 1.982 0 C-N-CA 120.168 -0.613 . . . . 0.0 109.487 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.82 99.57 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 -179.752 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.673 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 28.4 p -140.73 138.98 34.59 Favored 'General case' 0 N--CA 1.496 1.831 0 CA-C-N 114.077 -1.42 . . . . 0.0 108.064 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -89.27 156.35 18.8 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-O 121.508 0.671 . . . . 0.0 111.195 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -56.34 -32.58 64.84 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-N 113.719 -1.582 . . . . 0.0 110.465 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -69.3 -33.71 73.59 Favored 'General case' 0 N--CA 1.494 1.771 0 CA-C-N 114.946 -1.025 . . . . 0.0 110.549 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.2 72.44 1.31 Allowed 'General case' 0 N--CA 1.497 1.892 0 O-C-N 124.432 1.082 . . . . 0.0 110.421 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.594 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 2.7 p-10 -88.87 80.38 7.15 Favored 'General case' 0 N--CA 1.496 1.861 0 CA-C-O 122.504 1.145 . . . . 0.0 108.612 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -89.36 13.52 13.38 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-N 113.403 -1.726 . . . . 0.0 111.918 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.673 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 17.6 m -62.63 171.01 2.21 Favored 'General case' 0 N--CA 1.492 1.673 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.989 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 t -69.1 -33.4 73.43 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 81.3 p -90.52 -10.49 43.35 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-N 113.396 -1.729 . . . . 0.0 108.99 179.538 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.06 33.81 23.57 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 124.386 1.054 . . . . 0.0 108.716 -179.72 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.85 125.04 30.8 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-N 114.161 -1.382 . . . . 0.0 110.178 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.594 ' SG ' ' HA ' ' A' ' 13' ' ' ASP . 87.5 m -124.04 115.63 21.5 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 106.477 -1.675 . . . . 0.0 106.477 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.2 p30 -66.78 176.55 1.96 Allowed 'General case' 0 N--CA 1.499 1.978 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -59.14 -14.78 11.4 Favored 'General case' 0 N--CA 1.486 1.353 0 CA-C-N 114.077 -1.419 . . . . 0.0 113.253 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -89.1 13.73 12.42 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 50.46 41.23 24.79 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 124.377 1.048 . . . . 0.0 109.991 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -132.21 158.99 40.32 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 105.484 -2.043 . . . . 0.0 105.484 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.643 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 35.8 m -70.2 174.27 5.73 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 119.131 -1.027 . . . . 0.0 111.412 -179.708 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.7 t . . . . . 0 N--CA 1.492 1.642 0 CA-C-N 114.028 -1.442 . . . . 0.0 109.791 -179.805 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 104.838 -2.282 . . . . 0.0 104.838 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.1 mmt85 -77.34 164.42 25.54 Favored 'General case' 0 N--CA 1.503 2.193 0 N-CA-C 114.333 1.234 . . . . 0.0 114.333 -179.584 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.6 pt -77.59 159.62 4.91 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 CA-C-N 114.394 -1.276 . . . . 0.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.7 p30 56.42 -8.06 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.176 0 N-CA-C 117.234 2.309 . . . . 0.0 117.234 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.4 125.64 27.09 Favored 'General case' 0 N--CA 1.496 1.828 0 C-N-CA 120.249 -0.58 . . . . 0.0 110.054 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -49.29 100.86 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.84 0 O-C-N 124.51 1.131 . . . . 0.0 111.845 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.676 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 29.9 p -140.13 142.7 36.0 Favored 'General case' 0 N--CA 1.493 1.707 0 CA-C-N 113.71 -1.586 . . . . 0.0 108.358 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -89.0 160.3 17.18 Favored 'General case' 0 N--CA 1.494 1.754 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.822 -179.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.0 mm100 -54.9 -17.84 4.16 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-N 113.552 -1.658 . . . . 0.0 111.542 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 29.0 t-80 -100.79 -39.96 7.56 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 124.357 1.035 . . . . 0.0 110.745 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.3 mt -97.14 65.12 1.99 Allowed 'General case' 0 N--CA 1.498 1.975 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.417 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -82.48 91.85 6.95 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-N 114.208 -1.36 . . . . 0.0 111.556 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -89.72 -17.35 28.45 Favored 'General case' 0 N--CA 1.494 1.744 0 CA-C-N 114.216 -1.356 . . . . 0.0 110.568 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.676 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 2.3 m -49.54 160.76 0.25 Allowed 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 t -69.64 -36.08 75.78 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 92.7 p -83.12 -9.8 59.01 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-N 113.937 -1.483 . . . . 0.0 109.124 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 54.81 31.92 16.58 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 124.498 1.124 . . . . 0.0 108.423 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.9 mttm -129.78 126.1 37.35 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-N 113.987 -1.46 . . . . 0.0 110.061 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 98.8 m -118.49 119.33 34.23 Favored 'General case' 0 C--N 1.308 -1.222 0 N-CA-C 106.389 -1.708 . . . . 0.0 106.389 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -69.3 176.96 3.02 Favored 'General case' 0 N--CA 1.498 1.968 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 -179.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 17.9 ptp180 -56.26 -18.98 12.09 Favored 'General case' 0 N--CA 1.489 1.476 0 CA-C-N 114.008 -1.451 . . . . 0.0 114.241 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -89.42 16.58 7.33 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 123.663 0.602 . . . . 0.0 110.31 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 50.21 38.95 18.62 Favored 'General case' 0 N--CA 1.494 1.767 0 CA-C-N 114.707 -1.133 . . . . 0.0 110.767 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.0 mtmt -127.04 164.24 21.98 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 105.946 -1.872 . . . . 0.0 105.946 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.596 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 22.9 m -74.22 172.95 10.87 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 119.092 -1.043 . . . . 0.0 112.651 -179.664 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.3 t . . . . . 0 N--CA 1.491 1.607 0 CA-C-N 112.887 -1.96 . . . . 0.0 109.512 -179.843 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.484 0 N-CA-C 105.913 -1.884 . . . . 0.0 105.913 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.419 ' CB ' ' HA ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER -59.68 138.72 57.66 Favored 'General case' 0 N--CA 1.503 2.182 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.78 -179.686 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.1 pt -70.16 155.82 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.55 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 66.19 -6.64 0.46 Allowed 'General case' 0 N--CA 1.502 2.147 0 O-C-N 125.133 1.521 . . . . 0.0 114.86 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -72.98 130.49 40.48 Favored 'General case' 0 N--CA 1.498 1.926 0 C-N-CA 120.089 -0.644 . . . . 0.0 110.51 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.14 108.85 0.15 Allowed 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.692 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 24.4 p -140.23 157.83 44.98 Favored 'General case' 0 N--CA 1.495 1.822 0 CA-C-N 114.409 -1.268 . . . . 0.0 109.938 179.755 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -90.0 144.04 26.26 Favored 'General case' 0 N--CA 1.496 1.874 0 CA-C-N 114.795 -1.093 . . . . 0.0 110.532 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -57.02 -33.2 66.93 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-N 114.657 -1.156 . . . . 0.0 109.441 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 35.8 t-80 -79.78 -53.46 6.78 Favored 'General case' 0 N--CA 1.487 1.42 0 CA-C-N 113.784 -1.553 . . . . 0.0 110.195 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 mp -97.2 61.08 1.71 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 124.348 1.03 . . . . 0.0 108.981 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -80.23 84.61 5.88 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-N 113.439 -1.709 . . . . 0.0 107.564 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -88.64 19.12 4.12 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-N 113.893 -1.503 . . . . 0.0 111.058 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.692 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 32.5 m -68.15 163.18 23.17 Favored 'General case' 0 N--CA 1.485 1.308 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.279 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.4 t -66.25 -34.8 78.83 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 106.546 -1.65 . . . . 0.0 106.546 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.4 p -90.22 -9.59 47.52 Favored 'General case' 0 N--CA 1.486 1.327 0 CA-C-N 113.745 -1.57 . . . . 0.0 110.075 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.84 25.61 12.22 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 124.117 0.885 . . . . 0.0 110.399 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.7 mmtt -122.74 123.66 41.6 Favored 'General case' 0 N--CA 1.487 1.402 0 CA-C-N 114.738 -1.119 . . . . 0.0 109.556 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.649 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 84.5 m -125.44 112.65 16.53 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 106.992 -1.485 . . . . 0.0 106.992 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 52.8 p30 -64.6 -176.51 0.25 Allowed 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 114.81 1.411 . . . . 0.0 114.81 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -65.52 -17.16 64.35 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-N 113.672 -1.604 . . . . 0.0 112.992 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -89.22 13.78 12.5 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 123.94 0.775 . . . . 0.0 109.376 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 51.02 42.79 28.89 Favored 'General case' 0 N--CA 1.493 1.681 0 CA-C-N 114.685 -1.143 . . . . 0.0 110.229 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.3 mttt -133.72 154.3 51.06 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-N 112.799 -2.001 . . . . 0.0 106.88 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.551 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 75.8 m -67.56 169.92 8.48 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 119.611 -0.836 . . . . 0.0 112.055 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 39.9 t . . . . . 0 N--CA 1.495 1.785 0 CA-C-O 116.268 -1.825 . . . . 0.0 109.51 -179.942 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.415 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 105.462 -2.051 . . . . 0.0 105.462 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.424 HH21 ' CG ' ' A' ' 6' ' ' GLN . 5.2 mtp180 -75.45 154.42 37.04 Favored 'General case' 0 N--CA 1.502 2.169 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 -179.724 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.7 pt -70.04 167.86 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 CA-C-N 115.206 -0.907 . . . . 0.0 111.779 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' HYP . . . . . 0.451 ' C ' ' H ' ' A' ' 6' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.7 p30 52.36 -0.36 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.251 0 N-CA-C 116.444 2.016 . . . . 0.0 116.444 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.496 ' H ' ' HB2' ' A' ' 26' ' ' CYS . 0.6 OUTLIER -69.58 126.89 31.11 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 110.159 -0.311 . . . . 0.0 110.159 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.406 ' NZ ' ' HB2' ' A' ' 24' ' ' ASN . 9.2 tptt -53.7 99.01 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.879 0 O-C-N 124.239 0.962 . . . . 0.0 112.494 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.705 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 25.9 p -137.26 137.6 39.2 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-N 114.252 -1.34 . . . . 0.0 107.914 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -88.87 153.84 20.73 Favored 'General case' 0 N--CA 1.493 1.684 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.378 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -49.23 -17.32 0.23 Allowed 'General case' 0 N--CA 1.495 1.791 0 CA-C-N 113.678 -1.601 . . . . 0.0 114.06 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 48.2 m-70 -90.64 -56.52 3.16 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.49 64.4 2.6 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-O 122.347 1.07 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.554 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 0.2 OUTLIER -84.47 79.91 9.4 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-N 113.561 -1.654 . . . . 0.0 106.732 179.773 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -89.0 23.51 2.37 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-N 113.56 -1.654 . . . . 0.0 111.917 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.705 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 12.7 m -73.09 163.07 28.69 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.675 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.415 ' HA ' ' HB2' ' A' ' 1' ' ' CYS . 1.7 t -69.34 -34.59 74.84 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 105.5 -2.037 . . . . 0.0 105.5 179.676 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 91.5 p -80.79 -12.13 59.49 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-N 113.679 -1.6 . . . . 0.0 107.277 179.446 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.46 20.73 10.42 Favored 'General case' 0 N--CA 1.496 1.852 0 CA-C-N 114.472 -1.24 . . . . 0.0 110.301 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.3 mttp -128.61 135.81 49.83 Favored 'General case' 0 N--CA 1.487 1.395 0 CA-C-N 114.594 -1.185 . . . . 0.0 111.17 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.554 ' SG ' ' HA ' ' A' ' 13' ' ' ASP . 86.6 m -122.39 128.32 50.8 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 106.405 -1.702 . . . . 0.0 106.405 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.435 HD22 ' H ' ' A' ' 21' ' ' ASN . 3.5 p30 -79.03 -170.85 2.38 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.4 ptp85 -55.64 -28.19 53.98 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 116.883 2.179 . . . . 0.0 116.883 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -89.18 18.96 4.57 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 123.436 0.46 . . . . 0.0 110.488 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.406 ' HB2' ' NZ ' ' A' ' 7' ' ' LYS . 6.3 m-80 49.96 44.36 25.45 Favored 'General case' 0 N--CA 1.497 1.914 0 CA-C-O 122.609 1.195 . . . . 0.0 108.881 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.3 mttt -124.95 164.87 19.17 Favored 'General case' 0 N--CA 1.487 1.413 0 CA-C-N 111.754 -2.476 . . . . 0.0 105.518 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.64 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 17.9 m -80.05 176.1 10.04 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 119.503 -0.879 . . . . 0.0 112.982 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.2 t . . . . . 0 N--CA 1.495 1.8 0 CA-C-O 116.352 -1.785 . . . . 0.0 109.599 -179.895 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 105.009 -2.219 . . . . 0.0 105.009 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.28 167.53 21.7 Favored 'General case' 0 N--CA 1.503 2.2 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 -179.51 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.543 HD12 ' O ' ' A' ' 4' ' ' HYP . 0.9 OUTLIER -81.28 159.28 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 CA-C-N 113.789 -1.55 . . . . 0.0 111.583 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' HYP . . . . . 0.543 ' O ' HD12 ' A' ' 3' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 66.05 -14.58 0.14 Allowed 'General case' 0 N--CA 1.505 2.307 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.571 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 64.8 tp60 -56.01 119.82 6.48 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 123.266 0.354 . . . . 0.0 110.171 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.0 tptt -57.32 98.32 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.833 0 O-C-N 124.348 1.03 . . . . 0.0 110.227 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.669 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 9.0 p -127.32 153.38 46.25 Favored 'General case' 0 N--CA 1.495 1.809 0 CA-C-N 113.972 -1.467 . . . . 0.0 110.34 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -88.92 150.96 22.6 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -44.19 -38.34 3.69 Favored 'General case' 0 N--CA 1.494 1.732 0 CA-C-N 113.638 -1.619 . . . . 0.0 112.681 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -90.79 -39.18 12.52 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 124.061 0.851 . . . . 0.0 110.145 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 23.0 mt -89.88 58.89 4.38 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 124.192 0.932 . . . . 0.0 110.466 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.547 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 0.2 OUTLIER -81.7 99.77 9.11 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-N 114.482 -1.235 . . . . 0.0 108.832 179.891 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.08 -9.96 49.18 Favored 'General case' 0 N--CA 1.493 1.715 0 CA-C-N 113.226 -1.806 . . . . 0.0 110.838 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.708 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 2.2 m -52.44 151.76 3.93 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 124.405 1.066 . . . . 0.0 112.17 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 t -62.46 -41.44 98.76 Favored 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 87.9 p -77.62 -9.47 58.97 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-N 114.145 -1.389 . . . . 0.0 109.664 179.676 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.56 19.29 10.25 Favored 'General case' 0 N--CA 1.499 2.003 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.483 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 41.0 mttm -109.85 120.36 42.22 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.616 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.708 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 99.4 m -123.7 113.69 18.96 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 179.66 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 52.4 p30 -66.11 -176.07 0.38 Allowed 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 115.057 1.503 . . . . 0.0 115.057 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.94 -18.5 64.31 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-N 113.743 -1.571 . . . . 0.0 112.913 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -89.17 13.79 12.39 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 50.8 37.68 17.64 Favored 'General case' 0 N--CA 1.495 1.798 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.627 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -125.67 152.32 45.39 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-N 113.11 -1.859 . . . . 0.0 106.192 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.669 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 55.4 m -70.22 170.44 11.64 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-O 122.151 0.977 . . . . 0.0 113.39 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.8 t . . . . . 0 N--CA 1.494 1.774 0 CA-C-N 112.465 -2.152 . . . . 0.0 109.141 179.891 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.488 1.438 0 N-CA-C 105.834 -1.913 . . . . 0.0 105.834 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -72.26 160.68 31.99 Favored 'General case' 0 N--CA 1.5 2.051 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.562 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 pt -81.69 161.76 3.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.686 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 59.98 -3.55 0.12 Allowed 'General case' 0 N--CA 1.504 2.257 0 N-CA-C 116.532 2.049 . . . . 0.0 116.532 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -75.19 141.14 43.65 Favored 'General case' 0 N--CA 1.498 1.957 0 C-N-CA 120.089 -0.644 . . . . 0.0 111.8 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.0 tptp -52.78 107.15 0.2 Allowed 'General case' 0 N--CA 1.497 1.894 0 CA-C-N 114.72 -1.127 . . . . 0.0 111.817 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.644 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 25.5 p -137.48 143.35 41.69 Favored 'General case' 0 N--CA 1.492 1.661 0 CA-C-N 114.368 -1.287 . . . . 0.0 109.361 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -89.67 133.16 34.79 Favored 'General case' 0 N--CA 1.494 1.73 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.304 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -52.2 -28.38 18.14 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 124.517 1.135 . . . . 0.0 112.444 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 53.5 m-70 -68.93 -41.02 78.66 Favored 'General case' 0 N--CA 1.496 1.848 0 CA-C-N 114.902 -1.044 . . . . 0.0 110.41 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.33 78.35 1.65 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 124.379 1.05 . . . . 0.0 108.799 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -67.84 96.49 0.58 Allowed 'General case' 0 N--CA 1.489 1.505 0 CA-C-N 114.08 -1.418 . . . . 0.0 107.741 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -88.27 -0.35 57.03 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-N 113.549 -1.659 . . . . 0.0 112.383 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.678 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 5.2 m -68.26 156.31 37.92 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 123.614 0.571 . . . . 0.0 112.155 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 t -71.81 -33.82 68.84 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 105.687 -1.968 . . . . 0.0 105.687 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 83.5 p -82.35 0.63 40.9 Favored 'General case' 0 N--CA 1.486 1.356 0 CA-C-N 113.573 -1.648 . . . . 0.0 109.453 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.411 HH12 ' NZ ' ' A' ' 19' ' ' LYS . 41.2 ptt85 43.33 31.84 0.43 Allowed 'General case' 0 N--CA 1.501 2.11 0 O-C-N 124.824 1.327 . . . . 0.0 112.353 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.411 ' NZ ' HH12 ' A' ' 18' ' ' ARG . 15.6 mttp -132.87 125.78 30.74 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-N 114.2 -1.364 . . . . 0.0 110.074 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.678 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 65.3 m -127.04 116.33 20.56 Favored 'General case' 0 N--CA 1.485 1.282 0 N-CA-C 107.518 -1.289 . . . . 0.0 107.518 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 55.8 p30 -66.04 -174.92 0.28 Allowed 'General case' 0 N--CA 1.498 1.955 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -65.04 -20.81 66.67 Favored 'General case' 0 N--CA 1.484 1.267 0 CA-C-N 113.875 -1.511 . . . . 0.0 113.497 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -89.02 17.61 5.64 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 123.997 0.811 . . . . 0.0 110.347 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 51.1 39.09 22.56 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 124.176 0.923 . . . . 0.0 110.073 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? -125.73 154.9 41.79 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-N 113.425 -1.716 . . . . 0.0 106.446 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.516 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 65.9 m -71.29 172.82 8.67 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 119.495 -0.882 . . . . 0.0 110.663 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 23.4 t . . . . . 0 N--CA 1.498 1.955 0 CA-C-O 116.461 -1.733 . . . . 0.0 110.171 180.0 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.488 1.454 0 N-CA-C 106.307 -1.738 . . . . 0.0 106.307 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.92 133.66 39.17 Favored 'General case' 0 N--CA 1.5 2.034 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.464 -179.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 29.2 pt . . . . . 0 N--CA 1.494 1.729 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.95 -179.847 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 12.4 p30 . . . . . 0 N--CA 1.502 2.166 0 N-CA-C 115.738 1.755 . . . . 0.0 115.738 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.403 ' H ' ' HB2' ' A' ' 26' ' ' CYS . 7.0 tp60 -85.93 128.81 34.92 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.73 103.46 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.911 0 O-C-N 124.397 1.061 . . . . 0.0 112.552 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.683 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 26.4 p -132.52 144.89 50.74 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-N 114.055 -1.43 . . . . 0.0 110.033 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -89.24 136.57 32.95 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-N 114.489 -1.232 . . . . 0.0 108.433 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -56.15 -30.74 62.58 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-N 114.461 -1.245 . . . . 0.0 110.256 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -68.21 -35.91 78.72 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-N 114.48 -1.236 . . . . 0.0 110.341 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -129.8 62.48 1.55 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 124.405 1.066 . . . . 0.0 109.961 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -68.42 93.82 0.51 Allowed 'General case' 0 N--CA 1.498 1.942 0 CA-C-N 114.524 -1.216 . . . . 0.0 108.097 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -89.1 12.16 16.49 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-N 113.401 -1.727 . . . . 0.0 111.698 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.683 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 12.3 m -67.55 159.58 29.48 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.638 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 t -63.76 -36.07 82.68 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 106.647 -1.612 . . . . 0.0 106.647 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.6 p -89.43 -9.73 49.1 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-N 113.51 -1.677 . . . . 0.0 109.802 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 64.1 mtm-85 57.15 24.52 9.84 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 124.26 0.975 . . . . 0.0 110.078 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt -122.2 123.77 42.28 Favored 'General case' 0 N--CA 1.487 1.401 0 CA-C-N 114.487 -1.233 . . . . 0.0 109.18 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.492 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 98.9 m -119.64 118.65 31.51 Favored 'General case' 0 C--N 1.309 -1.164 0 N-CA-C 106.47 -1.678 . . . . 0.0 106.47 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.46 HD21 ' HB2' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -69.53 177.87 2.74 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 123.945 0.778 . . . . 0.0 112.96 -179.794 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.38 -17.51 20.87 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-N 113.994 -1.457 . . . . 0.0 113.262 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -89.47 16.04 8.29 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 123.716 0.635 . . . . 0.0 110.618 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 51.07 36.58 15.76 Favored 'General case' 0 N--CA 1.498 1.928 0 CA-C-N 115.069 -0.969 . . . . 0.0 111.364 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.46 ' HB2' HD21 ' A' ' 21' ' ' ASN . 36.6 mtmt -127.96 162.88 25.75 Favored 'General case' 0 N--CA 1.489 1.515 0 CA-C-N 113.268 -1.787 . . . . 0.0 106.311 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.508 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 66.7 m -73.69 171.97 12.3 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 119.126 -1.029 . . . . 0.0 111.323 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.3 t . . . . . 0 N--CA 1.493 1.709 0 CA-C-N 113.846 -1.525 . . . . 0.0 109.791 -179.947 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.483 ' HB3' ' HA ' ' A' ' 15' ' ' CYS . 0.9 OUTLIER -75.71 133.48 40.76 Favored 'General case' 0 N--CA 1.497 1.903 0 C-N-CA 120.192 -0.603 . . . . 0.0 109.625 -179.794 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.5 pt . . . . . 0 N--CA 1.494 1.772 0 CA-C-N 114.807 -1.088 . . . . 0.0 111.814 -179.773 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.7 p30 . . . . . 0 N--CA 1.501 2.109 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 11.4 tp60 -81.44 141.61 33.74 Favored 'General case' 0 N--CA 1.49 1.575 0 C-N-CA 120.524 -0.47 . . . . 0.0 110.199 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -51.95 116.47 2.18 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 124.598 1.186 . . . . 0.0 111.545 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.756 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 20.5 p -140.79 155.72 46.33 Favored 'General case' 0 N--CA 1.491 1.6 0 CA-C-N 114.648 -1.16 . . . . 0.0 109.964 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -105.61 150.23 25.59 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 124.741 1.275 . . . . 0.0 111.628 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -63.98 -31.85 73.18 Favored 'General case' 0 N--CA 1.486 1.353 0 CA-C-N 114.66 -1.155 . . . . 0.0 108.852 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -75.71 -46.77 29.3 Favored 'General case' 0 N--CA 1.493 1.681 0 CA-C-N 114.035 -1.438 . . . . 0.0 108.256 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.1 mt -113.87 70.92 0.73 Allowed 'General case' 0 N--CA 1.495 1.786 0 CA-C-N 114.641 -1.163 . . . . 0.0 108.506 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -86.34 80.73 8.61 Favored 'General case' 0 N--CA 1.496 1.826 0 CA-C-N 114.237 -1.347 . . . . 0.0 107.853 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -88.93 18.49 4.8 Favored 'General case' 0 N--CA 1.492 1.637 0 CA-C-N 113.54 -1.664 . . . . 0.0 111.886 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.756 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 70.8 m -66.97 152.63 45.39 Favored 'General case' 0 N--CA 1.488 1.475 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.704 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.5 t -63.26 -34.77 78.39 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 78.7 p -85.75 -20.05 29.86 Favored 'General case' 0 N--CA 1.485 1.292 0 CA-C-N 113.507 -1.679 . . . . 0.0 108.056 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.3 4.08 4.44 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 124.594 1.184 . . . . 0.0 110.662 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.6 mtpt -109.44 126.62 53.67 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 124.054 0.846 . . . . 0.0 109.762 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.605 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 98.4 m -120.37 119.7 33.86 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 124.043 0.839 . . . . 0.0 109.042 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.494 HD21 ' HB2' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -70.16 176.79 3.62 Favored 'General case' 0 N--CA 1.502 2.174 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 -63.32 -10.33 15.88 Favored 'General case' 0 N--CA 1.49 1.525 0 CA-C-N 115.373 -0.83 . . . . 0.0 112.564 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -89.14 8.58 29.33 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 124.082 0.864 . . . . 0.0 109.296 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 55.89 36.73 27.84 Favored 'General case' 0 N--CA 1.498 1.949 0 CA-C-O 122.068 0.937 . . . . 0.0 110.941 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.494 ' HB2' HD21 ' A' ' 21' ' ' ASN . 40.7 mtmt -129.54 159.79 35.25 Favored 'General case' 0 N--CA 1.488 1.44 0 CA-C-N 113.006 -1.906 . . . . 0.0 107.219 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 94.4 m -73.14 168.13 19.73 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 119.325 -0.95 . . . . 0.0 110.13 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 t . . . . . 0 N--CA 1.495 1.825 0 CA-C-O 116.425 -1.75 . . . . 0.0 110.482 -179.799 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.488 1.439 0 N-CA-C 105.394 -2.076 . . . . 0.0 105.394 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.15 161.59 29.83 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 113.82 1.045 . . . . 0.0 113.82 -179.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.2 pt . . . . . 0 N--CA 1.491 1.593 0 CA-C-N 114.512 -1.222 . . . . 0.0 111.37 179.992 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.501 2.094 0 N-CA-C 116.188 1.922 . . . . 0.0 116.188 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -71.43 135.26 47.13 Favored 'General case' 0 N--CA 1.494 1.77 0 C-N-CA 119.769 -0.772 . . . . 0.0 110.677 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? -51.79 107.28 0.19 Allowed 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.753 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 24.8 p -137.95 154.01 49.42 Favored 'General case' 0 N--CA 1.496 1.861 0 CA-C-N 114.305 -1.316 . . . . 0.0 109.552 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -89.44 148.91 23.2 Favored 'General case' 0 N--CA 1.496 1.83 0 CA-C-N 115.553 -0.748 . . . . 0.0 111.992 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 39.2 mm-40 -56.7 -16.72 6.87 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 113.924 -1.489 . . . . 0.0 111.978 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -105.24 -49.22 3.51 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 124.339 1.024 . . . . 0.0 108.284 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 53.4 mt -92.12 63.89 4.45 Favored 'General case' 0 N--CA 1.494 1.762 0 CA-C-O 122.266 1.031 . . . . 0.0 108.429 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -78.57 98.09 6.01 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-N 113.498 -1.683 . . . . 0.0 106.608 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.51 -12.18 43.63 Favored 'General case' 0 N--CA 1.493 1.716 0 CA-C-N 113.859 -1.519 . . . . 0.0 110.761 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.753 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 3.5 m -52.33 154.82 2.27 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 124.518 1.136 . . . . 0.0 113.715 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 t -71.24 -35.54 71.48 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 106.033 -1.84 . . . . 0.0 106.033 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.4 p -81.58 2.07 30.92 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-N 114.171 -1.377 . . . . 0.0 109.651 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 43.87 27.77 0.2 Allowed 'General case' 0 N--CA 1.502 2.148 0 O-C-N 124.82 1.325 . . . . 0.0 112.971 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 54.1 mttt -131.77 127.09 36.0 Favored 'General case' 0 N--CA 1.487 1.402 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.014 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.518 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 85.6 m -118.85 124.22 46.63 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 106.425 -1.694 . . . . 0.0 106.425 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 56.1 p30 -67.97 -172.42 0.29 Allowed 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.54 -14.7 62.18 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 114.745 -1.116 . . . . 0.0 113.705 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -89.2 13.77 12.51 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.3 m120 53.6 37.13 25.24 Favored 'General case' 0 N--CA 1.495 1.822 0 CA-C-O 122.1 0.952 . . . . 0.0 109.265 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -120.41 163.49 17.8 Favored 'General case' 0 N--CA 1.489 1.504 0 CA-C-N 112.667 -2.06 . . . . 0.0 106.269 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.613 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 16.2 m -79.84 175.35 10.71 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 119.676 -0.809 . . . . 0.0 111.533 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 40.2 t . . . . . 0 N--CA 1.495 1.795 0 CA-C-N 113.548 -1.66 . . . . 0.0 109.262 179.887 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.488 1.47 0 N-CA-C 106.073 -1.825 . . . . 0.0 106.073 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -77.38 148.8 35.34 Favored 'General case' 0 N--CA 1.501 2.088 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.633 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.494 1.731 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.58 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.503 2.187 0 N-CA-C 114.631 1.345 . . . . 0.0 114.631 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.4 125.66 27.17 Favored 'General case' 0 N--CA 1.497 1.891 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.213 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.61 103.44 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.026 0 O-C-N 124.22 0.95 . . . . 0.0 111.806 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.726 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 31.2 p -140.58 135.86 32.22 Favored 'General case' 0 N--CA 1.493 1.702 0 CA-C-N 114.112 -1.404 . . . . 0.0 109.366 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.516 ' H ' ' HB2' ' A' ' 12' ' ' LEU . 22.8 t80 -89.2 165.58 14.36 Favored 'General case' 0 N--CA 1.493 1.716 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.552 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.427 HE22 ' ND2' ' A' ' 24' ' ' ASN . 2.1 mp0 -52.3 -43.06 64.27 Favored 'General case' 0 N--CA 1.488 1.47 0 CA-C-N 114.302 -1.317 . . . . 0.0 109.76 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 32.8 m-70 -83.05 -35.09 26.02 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-N 114.277 -1.329 . . . . 0.0 108.467 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.516 ' HB2' ' H ' ' A' ' 9' ' ' PHE . 59.5 mt -90.93 47.93 1.47 Allowed 'General case' 0 N--CA 1.496 1.863 0 O-C-N 124.218 0.949 . . . . 0.0 108.89 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.433 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 34.2 t70 -79.4 77.02 5.97 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-N 114.693 -1.139 . . . . 0.0 109.066 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -91.47 1.59 57.02 Favored 'General case' 0 N--CA 1.496 1.852 0 CA-C-N 113.111 -1.859 . . . . 0.0 113.184 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.726 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 4.4 m -62.03 158.87 15.52 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 t -73.76 -30.56 62.86 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-N 113.035 -1.893 . . . . 0.0 107.127 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.4 p -86.67 -12.96 46.87 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-N 113.485 -1.689 . . . . 0.0 108.894 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? 58.66 35.81 24.66 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 124.614 1.196 . . . . 0.0 109.116 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -137.27 123.82 20.93 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 114.303 -1.317 . . . . 0.0 110.143 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.57 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 79.9 m -122.65 115.04 21.43 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 106.157 -1.794 . . . . 0.0 106.157 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.466 HD21 ' HB2' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -68.55 176.1 3.1 Favored 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 -179.595 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -56.51 -17.93 9.93 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-N 113.489 -1.687 . . . . 0.0 113.558 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -89.46 16.08 8.22 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 123.826 0.704 . . . . 0.0 110.388 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.427 ' ND2' HE22 ' A' ' 10' ' ' GLN . 14.4 m120 51.07 38.51 20.89 Favored 'General case' 0 N--CA 1.495 1.824 0 CA-C-N 114.79 -1.096 . . . . 0.0 111.007 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.466 ' HB2' HD21 ' A' ' 21' ' ' ASN . 51.8 mttt -130.51 160.94 32.62 Favored 'General case' 0 N--CA 1.489 1.48 0 CA-C-N 113.303 -1.771 . . . . 0.0 106.553 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.589 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 55.1 m -71.13 172.19 9.63 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 119.291 -0.964 . . . . 0.0 111.62 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.7 t . . . . . 0 N--CA 1.493 1.707 0 CA-C-N 113.559 -1.655 . . . . 0.0 109.565 -179.834 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 105.658 -1.978 . . . . 0.0 105.658 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.42 ' HB3' ' HA ' ' A' ' 15' ' ' CYS . 1.4 tpp85 -73.97 145.51 44.59 Favored 'General case' 0 N--CA 1.5 2.051 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.643 -179.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 pt . . . . . 0 N--CA 1.492 1.666 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.83 -179.882 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.502 2.157 0 N-CA-C 115.759 1.762 . . . . 0.0 115.759 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -74.79 127.2 32.59 Favored 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.697 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -47.21 103.1 0.04 OUTLIER 'General case' 0 N--CA 1.499 1.998 0 O-C-N 124.385 1.053 . . . . 0.0 113.276 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.737 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 27.8 p -140.17 154.15 46.86 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-N 114.784 -1.098 . . . . 0.0 110.402 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -89.87 148.57 23.09 Favored 'General case' 0 N--CA 1.497 1.92 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.529 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -56.06 -33.32 64.9 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-N 114.524 -1.216 . . . . 0.0 110.943 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 28.6 m-70 -84.66 -47.51 10.42 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 124.54 1.15 . . . . 0.0 108.513 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.1 mt -95.67 61.38 2.25 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-N 114.759 -1.11 . . . . 0.0 109.069 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.474 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 0.4 OUTLIER -78.45 99.32 6.38 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-N 114.176 -1.375 . . . . 0.0 107.586 179.866 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.61 -3.04 58.88 Favored 'General case' 0 N--CA 1.494 1.736 0 CA-C-N 113.329 -1.76 . . . . 0.0 110.928 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.737 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 3.7 m -60.54 157.28 14.55 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 113.65 0.981 . . . . 0.0 113.65 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.5 t -66.63 -35.31 79.88 Favored 'General case' 0 N--CA 1.487 1.402 0 CA-C-N 113.042 -1.89 . . . . 0.0 106.277 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.9 p -85.99 -10.6 54.83 Favored 'General case' 0 N--CA 1.486 1.335 0 CA-C-N 113.44 -1.709 . . . . 0.0 108.726 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.44 24.53 13.17 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 124.289 0.993 . . . . 0.0 110.48 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 41.0 mtmt -122.61 123.52 41.37 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.43 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.525 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 94.6 m -119.3 116.11 25.54 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 106.578 -1.638 . . . . 0.0 106.578 179.748 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.465 HD21 ' HB2' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -66.51 178.25 1.31 Allowed 'General case' 0 N--CA 1.5 2.072 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -179.606 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -58.89 -16.63 18.45 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-N 114.105 -1.407 . . . . 0.0 113.514 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -89.0 13.93 11.77 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 49.58 39.72 17.81 Favored 'General case' 0 N--CA 1.494 1.763 0 CA-C-N 114.678 -1.146 . . . . 0.0 110.555 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.465 ' HB2' HD21 ' A' ' 21' ' ' ASN . 64.8 mttt -129.19 162.18 28.41 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 105.415 -2.069 . . . . 0.0 105.415 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.614 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 44.2 m -72.34 172.55 10.16 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 119.148 -1.021 . . . . 0.0 112.586 -179.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.8 t . . . . . 0 N--CA 1.493 1.684 0 CA-C-N 113.311 -1.768 . . . . 0.0 109.584 -179.872 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 105.199 -2.149 . . . . 0.0 105.199 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -74.56 148.95 40.38 Favored 'General case' 0 N--CA 1.5 2.059 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.884 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.2 pt . . . . . 0 N--CA 1.491 1.581 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.806 -179.976 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.4 p30 . . . . . 0 N--CA 1.502 2.142 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.5 ' H ' ' HB2' ' A' ' 26' ' ' CYS . 1.6 tp60 -105.31 124.82 50.19 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.3 tppt? -49.64 99.1 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.846 0 O-C-N 124.124 0.89 . . . . 0.0 113.158 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.693 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 26.5 p -128.07 145.82 50.88 Favored 'General case' 0 N--CA 1.497 1.903 0 CA-C-N 114.565 -1.198 . . . . 0.0 109.719 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -89.56 151.08 22.13 Favored 'General case' 0 N--CA 1.494 1.744 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.734 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -60.61 -34.13 73.77 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-N 113.389 -1.732 . . . . 0.0 111.04 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -74.48 -16.43 60.85 Favored 'General case' 0 N--CA 1.495 1.803 0 CA-C-N 114.536 -1.211 . . . . 0.0 111.991 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -145.17 79.49 1.59 Allowed 'General case' 0 N--CA 1.498 1.969 0 CA-C-O 122.171 0.986 . . . . 0.0 110.392 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.84 95.37 6.02 Favored 'General case' 0 N--CA 1.494 1.725 0 CA-C-N 113.846 -1.524 . . . . 0.0 108.216 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.07 -5.47 57.82 Favored 'General case' 0 N--CA 1.495 1.798 0 CA-C-N 113.296 -1.775 . . . . 0.0 110.168 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.693 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 4.5 m -58.6 155.35 12.58 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 124.198 0.936 . . . . 0.0 113.267 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.5 t -67.09 -35.85 80.7 Favored 'General case' 0 N--CA 1.49 1.537 0 CA-C-N 113.416 -1.72 . . . . 0.0 106.587 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 86.4 p -80.77 -15.47 56.35 Favored 'General case' 0 N--CA 1.488 1.459 0 CA-C-N 114.204 -1.362 . . . . 0.0 108.774 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 63.35 22.04 13.09 Favored 'General case' 0 N--CA 1.499 1.976 0 CA-C-N 114.592 -1.185 . . . . 0.0 109.276 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.3 mttt -125.46 125.11 42.8 Favored 'General case' 0 N--CA 1.488 1.447 0 CA-C-N 114.468 -1.242 . . . . 0.0 110.439 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.54 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 77.4 m -118.35 117.18 28.38 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 105.507 -2.035 . . . . 0.0 105.507 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.3 p30 -68.6 -178.92 1.24 Allowed 'General case' 0 N--CA 1.498 1.965 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -16.48 52.07 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-N 114.257 -1.338 . . . . 0.0 113.757 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -88.97 13.61 12.46 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 19.6 m120 49.86 38.15 15.23 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 124.199 0.937 . . . . 0.0 109.195 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.0 mmtp -121.73 159.61 26.26 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-N 112.652 -2.067 . . . . 0.0 105.613 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.599 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 23.6 m -78.42 171.79 14.58 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 118.932 -1.107 . . . . 0.0 110.667 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 29.1 t . . . . . 0 N--CA 1.495 1.818 0 CA-C-N 113.365 -1.743 . . . . 0.0 109.363 179.963 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.488 1.456 0 N-CA-C 106.105 -1.813 . . . . 0.0 106.105 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 16.1 mtt180 -65.79 156.08 34.27 Favored 'General case' 0 N--CA 1.501 2.111 0 CA-C-N 115.58 -0.737 . . . . 0.0 112.708 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.8 pt . . . . . 0 N--CA 1.491 1.588 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.433 -179.936 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.504 2.26 0 N-CA-C 114.96 1.467 . . . . 0.0 114.96 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.18 125.24 22.8 Favored 'General case' 0 N--CA 1.499 2.002 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.38 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.7 mmtt -54.92 106.37 0.22 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 124.283 0.989 . . . . 0.0 111.219 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.703 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 16.8 p -140.06 157.54 45.49 Favored 'General case' 0 N--CA 1.494 1.737 0 CA-C-N 114.074 -1.421 . . . . 0.0 110.325 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -89.49 151.29 22.06 Favored 'General case' 0 N--CA 1.494 1.761 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.191 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -57.53 -15.77 8.05 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-N 113.941 -1.482 . . . . 0.0 111.756 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 16.0 m170 -105.3 -45.4 4.49 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 124.497 1.123 . . . . 0.0 108.501 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.0 mt -91.29 62.33 4.68 Favored 'General case' 0 N--CA 1.496 1.875 0 CA-C-N 114.878 -1.056 . . . . 0.0 108.662 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.455 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 3.9 m-20 -80.34 85.63 5.8 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-N 113.944 -1.48 . . . . 0.0 107.497 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.62 5.13 47.07 Favored 'General case' 0 N--CA 1.497 1.924 0 CA-C-N 112.832 -1.985 . . . . 0.0 111.689 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.703 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 6.1 m -64.6 159.77 21.12 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.212 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.5 t -64.23 -34.99 79.36 Favored 'General case' 0 N--CA 1.494 1.775 0 N-CA-C 106.444 -1.687 . . . . 0.0 106.444 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.8 p -84.54 -15.91 44.14 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 113.717 -1.583 . . . . 0.0 108.687 179.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 59.92 31.27 20.63 Favored 'General case' 0 N--CA 1.5 2.031 0 CA-C-N 114.417 -1.265 . . . . 0.0 109.741 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.7 mtpp -127.12 122.04 33.12 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-N 114.65 -1.159 . . . . 0.0 110.033 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.474 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 74.4 m -120.02 116.12 25.1 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 52.6 p30 -66.48 -176.96 0.5 Allowed 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.1 ptp85 -59.69 -20.75 58.36 Favored 'General case' 0 N--CA 1.487 1.384 0 CA-C-N 113.479 -1.691 . . . . 0.0 113.425 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -89.22 15.29 9.17 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 123.958 0.786 . . . . 0.0 109.596 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 50.09 38.05 15.87 Favored 'General case' 0 N--CA 1.498 1.961 0 CA-C-O 122.223 1.011 . . . . 0.0 110.452 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.1 mtmm -127.11 155.42 43.34 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 112.788 -2.005 . . . . 0.0 105.915 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.574 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 69.0 m -68.56 171.05 8.07 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 -179.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 46.6 t . . . . . 0 N--CA 1.496 1.843 0 CA-C-N 113.181 -1.827 . . . . 0.0 109.379 179.917 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.488 1.426 0 N-CA-C 105.367 -2.086 . . . . 0.0 105.367 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -66.68 154.88 39.5 Favored 'General case' 0 N--CA 1.501 2.084 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.456 HD13 ' H ' ' A' ' 3' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.73 0 CA-C-N 115.03 -0.986 . . . . 0.0 111.01 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.501 2.117 0 N-CA-C 115.739 1.755 . . . . 0.0 115.739 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -79.93 133.12 36.19 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.03 117.74 2.27 Favored 'General case' 0 N--CA 1.495 1.794 0 CA-C-O 122.369 1.081 . . . . 0.0 113.024 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.644 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 24.4 p -141.48 173.91 11.05 Favored 'General case' 0 N--CA 1.494 1.755 0 CA-C-N 113.743 -1.571 . . . . 0.0 109.964 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -112.41 136.73 51.54 Favored 'General case' 0 N--CA 1.494 1.746 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.663 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -57.09 -38.52 73.48 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 124.109 0.881 . . . . 0.0 109.398 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 30.0 t-80 -69.08 -45.12 71.09 Favored 'General case' 0 N--CA 1.491 1.604 0 CA-C-N 114.009 -1.45 . . . . 0.0 110.187 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.6 mt -111.97 70.37 0.71 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 124.552 1.157 . . . . 0.0 108.177 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -71.67 97.66 1.78 Allowed 'General case' 0 N--CA 1.489 1.487 0 CA-C-N 113.607 -1.633 . . . . 0.0 108.405 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.69 -10.02 49.95 Favored 'General case' 0 N--CA 1.491 1.605 0 CA-C-N 113.014 -1.903 . . . . 0.0 111.951 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.644 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 5.4 m -58.82 155.58 12.78 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 t -69.43 -34.93 75.17 Favored 'General case' 0 N--CA 1.492 1.654 0 CA-C-N 113.788 -1.551 . . . . 0.0 106.952 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 94.5 p -78.84 -13.39 59.83 Favored 'General case' 0 N--CA 1.488 1.441 0 CA-C-N 113.855 -1.521 . . . . 0.0 108.961 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.9 mtm105 59.44 28.05 17.33 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 124.546 1.154 . . . . 0.0 109.175 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -129.92 124.58 33.46 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 114.134 -1.394 . . . . 0.0 109.778 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.612 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 55.4 m -124.37 115.44 20.97 Favored 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 105.888 -1.893 . . . . 0.0 105.888 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.5 HD21 ' HB2' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -68.27 177.7 2.21 Favored 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 113.213 0.82 . . . . 0.0 113.213 -179.72 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.1 -13.47 17.47 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-N 114.103 -1.408 . . . . 0.0 113.254 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -89.68 12.52 16.68 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 50.0 42.51 24.72 Favored 'General case' 0 N--CA 1.494 1.76 0 CA-C-O 122.511 1.148 . . . . 0.0 110.235 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.5 ' HB2' HD21 ' A' ' 21' ' ' ASN . 5.4 mtpm? -132.11 163.83 27.63 Favored 'General case' 0 C--N 1.306 -1.283 0 CA-C-N 112.086 -2.325 . . . . 0.0 105.135 179.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.407 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 63.9 m -76.05 172.99 11.85 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 119.148 -1.021 . . . . 0.0 111.497 -179.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.3 t . . . . . 0 N--CA 1.493 1.678 0 CA-C-O 116.347 -1.787 . . . . 0.0 109.634 -179.909 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 105.649 -1.982 . . . . 0.0 105.649 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.64 155.81 39.93 Favored 'General case' 0 N--CA 1.502 2.162 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 -179.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 36.3 pt . . . . . 0 N--CA 1.491 1.61 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.352 -179.959 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 12.4 p30 . . . . . 0 N--CA 1.502 2.171 0 N-CA-C 116.642 2.09 . . . . 0.0 116.642 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.402 ' H ' ' HB2' ' A' ' 26' ' ' CYS . 0.8 OUTLIER -86.39 133.5 33.78 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -44.0 98.05 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.701 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 31.1 p -140.33 146.39 38.4 Favored 'General case' 0 N--CA 1.496 1.846 0 CA-C-N 114.305 -1.316 . . . . 0.0 108.491 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -89.18 157.3 18.32 Favored 'General case' 0 N--CA 1.494 1.749 0 CA-C-O 121.675 0.75 . . . . 0.0 112.466 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 -59.43 -16.68 25.1 Favored 'General case' 0 N--CA 1.489 1.504 0 CA-C-N 113.333 -1.758 . . . . 0.0 110.815 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -105.22 -33.28 8.29 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-N 114.676 -1.147 . . . . 0.0 108.721 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 73.4 mt -102.18 68.18 1.09 Allowed 'General case' 0 N--CA 1.495 1.781 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.877 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -83.98 92.79 7.92 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 113.624 -1.625 . . . . 0.0 110.344 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.95 -21.38 22.48 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-N 113.237 -1.801 . . . . 0.0 110.214 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.701 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 3.2 m -47.51 156.35 0.29 Allowed 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 -179.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 t -67.13 -38.23 85.2 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 105.948 -1.871 . . . . 0.0 105.948 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.4 p -80.62 -11.7 59.61 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-N 113.868 -1.515 . . . . 0.0 109.548 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.7 mmm-85 55.38 29.03 12.35 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 124.397 1.061 . . . . 0.0 110.349 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 78.8 mttt -125.12 123.67 40.2 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-N 114.218 -1.356 . . . . 0.0 108.807 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.479 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 95.6 m -122.59 115.57 22.37 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 106.572 -1.64 . . . . 0.0 106.572 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.426 HD21 ' HB2' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -68.05 176.34 2.7 Favored 'General case' 0 N--CA 1.496 1.83 0 CA-C-N 115.244 -0.889 . . . . 0.0 112.849 -179.75 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -62.57 -12.27 21.71 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-N 114.153 -1.385 . . . . 0.0 113.142 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -89.33 12.56 15.82 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 51.75 40.73 28.22 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-N 114.695 -1.139 . . . . 0.0 111.174 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.426 ' HB2' HD21 ' A' ' 21' ' ' ASN . 33.6 mtmt -132.67 163.18 29.53 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 105.925 -1.879 . . . . 0.0 105.925 179.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.529 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 64.4 m -73.01 172.12 11.59 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 119.121 -1.032 . . . . 0.0 110.836 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.8 t . . . . . 0 N--CA 1.495 1.79 0 CA-C-O 117.155 -1.403 . . . . 0.0 109.939 -179.829 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.488 1.459 0 N-CA-C 105.628 -1.99 . . . . 0.0 105.628 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.15 154.96 39.97 Favored 'General case' 0 N--CA 1.501 2.11 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.1 pt . . . . . 0 N--CA 1.49 1.567 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.633 -179.825 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.403 ' C ' HD22 ' A' ' 5' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.504 2.24 0 N-CA-C 116.28 1.956 . . . . 0.0 116.28 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -81.33 136.79 35.78 Favored 'General case' 0 N--CA 1.495 1.798 0 C-N-CA 120.089 -0.645 . . . . 0.0 110.983 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -48.66 105.2 0.07 Allowed 'General case' 0 N--CA 1.496 1.854 0 O-C-N 124.642 1.214 . . . . 0.0 112.976 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.74 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 25.7 p -133.23 164.55 26.82 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-N 114.417 -1.265 . . . . 0.0 110.928 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -89.92 140.67 29.39 Favored 'General case' 0 N--CA 1.495 1.817 0 CA-C-N 114.629 -1.169 . . . . 0.0 111.275 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -58.56 -52.0 67.52 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-N 114.916 -1.038 . . . . 0.0 109.294 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -69.16 -54.53 14.43 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-N 113.537 -1.665 . . . . 0.0 111.065 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.7 mt -92.1 67.55 5.08 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-O 122.639 1.209 . . . . 0.0 107.99 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -69.02 97.8 0.9 Allowed 'General case' 0 N--CA 1.487 1.4 0 CA-C-N 112.421 -2.172 . . . . 0.0 108.183 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -88.57 -5.07 58.42 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-N 113.137 -1.847 . . . . 0.0 111.977 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.74 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 9.0 m -63.44 159.18 18.95 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 113.688 0.995 . . . . 0.0 113.688 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 t -74.05 -35.64 64.32 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 105.607 -1.997 . . . . 0.0 105.607 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.9 p -81.19 0.9 34.43 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-N 113.817 -1.538 . . . . 0.0 109.36 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 44.1 29.62 0.36 Allowed 'General case' 0 N--CA 1.5 2.033 0 O-C-N 125.117 1.51 . . . . 0.0 112.34 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 41.5 mtmt -134.57 126.23 28.86 Favored 'General case' 0 N--CA 1.485 1.276 0 CA-C-N 114.208 -1.36 . . . . 0.0 109.812 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.634 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 65.0 m -122.64 122.96 40.05 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 106.319 -1.734 . . . . 0.0 106.319 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.466 HD22 ' H ' ' A' ' 21' ' ' ASN . 2.5 p30 -80.46 -175.85 5.39 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 114.704 1.372 . . . . 0.0 114.704 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -55.02 -25.22 28.79 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 116.913 2.19 . . . . 0.0 116.913 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -88.86 20.72 3.39 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 123.6 0.562 . . . . 0.0 109.505 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.3 m120 49.28 38.61 14.0 Favored 'General case' 0 N--CA 1.497 1.903 0 CA-C-N 114.624 -1.171 . . . . 0.0 110.253 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 71.7 mttt -123.49 169.5 11.33 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 112.914 -1.948 . . . . 0.0 107.142 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.509 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 56.2 m -79.42 175.09 10.92 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 119.993 -0.683 . . . . 0.0 112.309 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 78.5 t . . . . . 0 N--CA 1.496 1.868 0 CA-C-O 116.57 -1.681 . . . . 0.0 109.629 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 106.002 -1.851 . . . . 0.0 106.002 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.416 ' HB3' ' HA ' ' A' ' 15' ' ' CYS . 32.7 ttm-85 -78.21 137.5 38.16 Favored 'General case' 0 N--CA 1.5 2.046 0 CA-C-O 121.045 0.45 . . . . 0.0 111.124 -179.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 15.8 pt . . . . . 0 N--CA 1.494 1.736 0 CA-C-N 115.201 -0.909 . . . . 0.0 113.229 -179.756 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 . . . . . 0 N--CA 1.502 2.152 0 N-CA-C 115.734 1.754 . . . . 0.0 115.734 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.408 HE22 ' NH2' ' A' ' 2' ' ' ARG . 0.3 OUTLIER -86.15 142.66 28.49 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -179.906 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.7 mmtm -50.84 104.96 0.09 Allowed 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.614 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 28.2 p -140.21 -165.47 1.91 Allowed 'General case' 0 N--CA 1.494 1.771 0 CA-C-N 114.51 -1.223 . . . . 0.0 109.186 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -136.24 151.55 49.8 Favored 'General case' 0 N--CA 1.499 1.992 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -59.15 -21.16 58.92 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-N 113.48 -1.691 . . . . 0.0 110.295 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 31.7 t-80 -98.52 -51.02 4.08 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.082 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.9 mt -93.88 66.39 3.65 Favored 'General case' 0 N--CA 1.495 1.791 0 CA-C-N 114.775 -1.102 . . . . 0.0 109.056 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -77.95 84.49 4.23 Favored 'General case' 0 N--CA 1.494 1.751 0 CA-C-N 113.339 -1.755 . . . . 0.0 108.072 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.28 5.4 45.11 Favored 'General case' 0 N--CA 1.497 1.892 0 CA-C-N 113.179 -1.828 . . . . 0.0 110.539 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.63 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 7.5 m -67.3 161.19 25.56 Favored 'General case' 0 N--CA 1.488 1.441 0 CA-C-N 115.293 -0.867 . . . . 0.0 112.52 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 t -67.06 -35.8 80.65 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 105.663 -1.977 . . . . 0.0 105.663 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.8 p -83.32 -16.19 47.13 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-N 113.777 -1.556 . . . . 0.0 108.6 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.1 ttp85 61.19 30.48 19.32 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-N 114.576 -1.193 . . . . 0.0 109.87 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp -131.38 124.55 30.55 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 114.332 -1.304 . . . . 0.0 109.679 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.63 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 94.9 m -122.61 120.25 33.18 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 106.89 -1.522 . . . . 0.0 106.89 179.649 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 56.8 p30 -70.87 -174.19 0.9 Allowed 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 113.55 0.945 . . . . 0.0 113.55 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -66.38 -17.96 65.08 Favored 'General case' 0 N--CA 1.485 1.275 0 CA-C-N 114.426 -1.261 . . . . 0.0 113.16 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -89.14 15.81 8.21 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 123.923 0.764 . . . . 0.0 110.138 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 49.64 37.54 12.97 Favored 'General case' 0 N--CA 1.497 1.911 0 CA-C-O 122.391 1.091 . . . . 0.0 110.909 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.7 mttt -124.4 151.62 44.22 Favored 'General case' 0 N--CA 1.486 1.336 0 CA-C-N 112.55 -2.114 . . . . 0.0 105.512 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.601 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 57.1 m -71.62 172.4 9.72 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 119.268 -0.973 . . . . 0.0 110.946 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 43.4 t . . . . . 0 N--CA 1.495 1.781 0 CA-C-O 116.302 -1.808 . . . . 0.0 109.642 -179.993 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.488 1.47 0 N-CA-C 105.366 -2.086 . . . . 0.0 105.366 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 9.4 mmt85 -78.01 161.08 27.75 Favored 'General case' 0 N--CA 1.5 2.026 0 N-CA-C 114.93 1.456 . . . . 0.0 114.93 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 40.3 pt . . . . . 0 N--CA 1.491 1.608 0 CA-C-N 113.725 -1.58 . . . . 0.0 111.209 -179.978 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.434 HD22 ' N ' ' A' ' 6' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.504 2.244 0 N-CA-C 114.023 1.119 . . . . 0.0 114.023 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.495 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 9.4 tp-100 -61.25 123.59 18.15 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 123.435 0.46 . . . . 0.0 109.774 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.31 103.53 0.08 Allowed 'General case' 0 N--CA 1.496 1.86 0 O-C-N 124.28 0.987 . . . . 0.0 110.474 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.763 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 29.3 p -140.61 144.12 35.61 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-N 114.096 -1.411 . . . . 0.0 110.507 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -89.73 155.77 18.98 Favored 'General case' 0 N--CA 1.491 1.625 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.692 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.404 ' H ' ' CD ' ' A' ' 10' ' ' GLN . 8.3 mp0 -51.02 -35.89 36.66 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-N 113.922 -1.49 . . . . 0.0 111.254 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 26.5 m170 -85.76 -44.3 12.62 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.567 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mp -92.02 58.19 3.3 Favored 'General case' 0 N--CA 1.496 1.857 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.068 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.444 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 4.5 t0 -76.67 93.0 3.57 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-N 114.192 -1.367 . . . . 0.0 109.918 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.61 -1.33 57.99 Favored 'General case' 0 N--CA 1.493 1.699 0 CA-C-N 114.497 -1.228 . . . . 0.0 111.604 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.763 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 3.1 m -65.34 158.7 25.78 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 114.852 1.427 . . . . 0.0 114.852 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 t -78.3 -34.88 48.5 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 104.855 -2.276 . . . . 0.0 104.855 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 93.7 p -79.03 1.76 22.88 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-N 113.581 -1.645 . . . . 0.0 109.392 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 43.32 30.62 0.32 Allowed 'General case' 0 N--CA 1.5 2.064 0 O-C-N 124.789 1.306 . . . . 0.0 112.362 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 33.1 mttp -135.26 125.2 25.71 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-N 114.522 -1.217 . . . . 0.0 110.701 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.588 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 92.7 m -122.04 112.37 18.17 Favored 'General case' 0 N--CA 1.484 1.249 0 N-CA-C 105.792 -1.929 . . . . 0.0 105.792 179.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 55.7 p30 -62.79 -175.4 0.09 Allowed 'General case' 0 N--CA 1.497 1.921 0 N-CA-C 115.26 1.578 . . . . 0.0 115.26 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -18.28 65.12 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-N 113.437 -1.71 . . . . 0.0 113.182 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -89.29 12.29 16.5 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 123.873 0.733 . . . . 0.0 109.089 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.2 m120 51.73 42.62 29.98 Favored 'General case' 0 N--CA 1.496 1.86 0 CA-C-O 122.466 1.127 . . . . 0.0 109.288 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -130.96 156.12 45.64 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-N 112.31 -2.223 . . . . 0.0 105.958 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.616 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 57.4 m -71.45 169.86 14.48 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 119.365 -0.934 . . . . 0.0 112.509 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 41.5 t . . . . . 0 N--CA 1.495 1.788 0 CA-C-N 112.775 -2.011 . . . . 0.0 109.739 -179.975 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.496 0 N-CA-C 106.661 -1.607 . . . . 0.0 106.661 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.419 ' HB3' ' HA ' ' A' ' 15' ' ' CYS . 1.0 OUTLIER -79.96 129.82 34.79 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 123.484 0.49 . . . . 0.0 109.68 -179.694 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 37.5 pt . . . . . 0 N--CA 1.494 1.751 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -179.735 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.502 2.139 0 N-CA-C 113.658 0.984 . . . . 0.0 113.658 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -64.71 135.82 56.27 Favored 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 120.349 -0.54 . . . . 0.0 109.578 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.64 119.71 7.06 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-O 122.541 1.162 . . . . 0.0 112.475 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.611 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 15.9 p -141.77 -159.02 0.92 Allowed 'General case' 0 N--CA 1.492 1.673 0 CA-C-N 113.109 -1.859 . . . . 0.0 107.867 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -146.3 153.08 40.15 Favored 'General case' 0 N--CA 1.495 1.784 0 CA-C-O 121.41 0.624 . . . . 0.0 111.09 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.497 ' NE2' ' H ' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -56.23 -29.68 61.32 Favored 'General case' 0 N--CA 1.492 1.634 0 CA-C-N 113.939 -1.482 . . . . 0.0 110.174 179.791 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -84.88 -58.03 2.87 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-N 114.218 -1.356 . . . . 0.0 108.189 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.8 mt -98.09 66.47 1.83 Allowed 'General case' 0 N--CA 1.495 1.777 0 CA-C-N 114.185 -1.37 . . . . 0.0 110.175 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.546 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 1.1 p-10 -87.07 88.63 7.75 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 106.287 -1.745 . . . . 0.0 106.287 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -88.88 11.02 19.15 Favored 'General case' 0 N--CA 1.493 1.699 0 CA-C-N 113.209 -1.814 . . . . 0.0 112.444 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.682 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 4.9 m -63.55 160.21 17.07 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.416 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 t -62.3 -35.54 79.34 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 106.683 -1.599 . . . . 0.0 106.683 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.8 p -90.39 -11.53 40.25 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-N 113.691 -1.595 . . . . 0.0 109.171 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.71 27.19 15.58 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 124.422 1.076 . . . . 0.0 109.742 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -118.34 121.42 40.33 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-N 114.216 -1.356 . . . . 0.0 108.764 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.682 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 87.5 m -123.84 115.81 21.94 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 56.0 p30 -65.26 -173.68 0.14 Allowed 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.8 ptp180 -68.75 -18.08 64.15 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 114.132 -1.395 . . . . 0.0 112.746 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -89.09 15.8 8.17 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 123.884 0.74 . . . . 0.0 110.076 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.6 m120 50.25 39.38 19.78 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 124.335 1.022 . . . . 0.0 110.418 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -125.52 154.58 41.9 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-N 112.742 -2.026 . . . . 0.0 105.992 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.611 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 43.0 m -74.83 170.54 15.71 Favored 'General case' 0 N--CA 1.485 1.325 0 CA-C-O 122.151 0.977 . . . . 0.0 111.772 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.6 t . . . . . 0 N--CA 1.496 1.846 0 CA-C-N 112.785 -2.007 . . . . 0.0 109.558 -179.996 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 105.25 -2.13 . . . . 0.0 105.25 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.51 153.46 42.9 Favored 'General case' 0 N--CA 1.501 2.075 0 N-CA-C 112.613 0.598 . . . . 0.0 112.613 -179.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.1 pt . . . . . 0 N--CA 1.491 1.62 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.738 -179.884 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.503 2.204 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.74 127.72 33.52 Favored 'General case' 0 N--CA 1.495 1.813 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.736 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -51.68 105.43 0.11 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 124.481 1.113 . . . . 0.0 111.475 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.64 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 9.6 p -132.66 159.55 39.27 Favored 'General case' 0 N--CA 1.495 1.819 0 CA-C-N 114.777 -1.101 . . . . 0.0 110.764 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -89.6 140.0 29.99 Favored 'General case' 0 N--CA 1.491 1.625 0 CA-C-N 114.437 -1.256 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -52.77 -31.27 37.46 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 124.458 1.099 . . . . 0.0 111.273 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 44.4 m-70 -83.35 -48.82 9.99 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-N 114.831 -1.077 . . . . 0.0 108.242 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.6 mt -91.17 55.81 2.96 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-N 114.619 -1.173 . . . . 0.0 109.539 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -78.97 87.1 4.79 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.88 1.05 55.98 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-N 113.226 -1.806 . . . . 0.0 111.465 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.64 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 6.7 m -55.55 161.13 2.14 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 124.02 0.825 . . . . 0.0 111.749 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 t -64.94 -35.55 81.52 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 91.5 p -87.06 -11.07 51.37 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-N 114.111 -1.404 . . . . 0.0 108.731 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 50.9 mtm180 56.85 31.22 19.24 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 124.46 1.1 . . . . 0.0 109.895 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.2 mttp -127.72 123.26 34.97 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-N 114.292 -1.322 . . . . 0.0 109.428 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.527 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 84.0 m -120.13 112.43 19.09 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 105.993 -1.854 . . . . 0.0 105.993 179.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 56.4 p30 -60.42 -173.98 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.065 0 N-CA-C 115.833 1.79 . . . . 0.0 115.833 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.6 ptt85 -64.11 -19.74 65.48 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-N 113.658 -1.61 . . . . 0.0 112.876 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -89.11 13.46 13.05 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 123.953 0.783 . . . . 0.0 109.575 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 13.5 m120 51.54 40.04 26.1 Favored 'General case' 0 N--CA 1.499 1.996 0 CA-C-O 121.998 0.904 . . . . 0.0 109.365 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 65.6 mttt -128.47 155.72 44.35 Favored 'General case' 0 N--CA 1.489 1.483 0 CA-C-N 113.02 -1.9 . . . . 0.0 106.635 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.596 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 57.9 m -69.4 170.12 11.07 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-O 122.145 0.974 . . . . 0.0 112.934 -179.671 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 47.0 t . . . . . 0 N--CA 1.496 1.854 0 CA-C-N 112.7 -2.046 . . . . 0.0 109.365 179.89 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 105.023 -2.214 . . . . 0.0 105.023 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.647 ' HE ' ' H ' ' A' ' 3' ' ' ILE . 0.0 OUTLIER -71.95 145.09 48.65 Favored 'General case' 0 N--CA 1.501 2.106 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -179.613 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.647 ' H ' ' HE ' ' A' ' 2' ' ' ARG . 9.9 pt . . . . . 0 N--CA 1.492 1.648 0 CA-C-N 114.664 -1.153 . . . . 0.0 111.773 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.503 2.206 0 N-CA-C 115.422 1.638 . . . . 0.0 115.422 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.414 HE21 ' NH2' ' A' ' 2' ' ' ARG . 0.5 OUTLIER -74.41 129.45 37.8 Favored 'General case' 0 N--CA 1.499 1.982 0 C-N-CA 120.168 -0.613 . . . . 0.0 109.487 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.82 99.57 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 -179.752 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.673 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 28.4 p -140.73 138.98 34.59 Favored 'General case' 0 N--CA 1.496 1.831 0 CA-C-N 114.077 -1.42 . . . . 0.0 108.064 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -89.27 156.35 18.8 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-O 121.508 0.671 . . . . 0.0 111.195 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.401 HE22 ' HA ' ' A' ' 24' ' ' ASN . 3.7 mp0 -56.34 -32.58 64.84 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-N 113.719 -1.582 . . . . 0.0 110.465 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -69.3 -33.71 73.59 Favored 'General case' 0 N--CA 1.494 1.771 0 CA-C-N 114.946 -1.025 . . . . 0.0 110.549 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.2 72.44 1.31 Allowed 'General case' 0 N--CA 1.497 1.892 0 O-C-N 124.432 1.082 . . . . 0.0 110.421 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.594 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 2.7 p-10 -88.87 80.38 7.15 Favored 'General case' 0 N--CA 1.496 1.861 0 CA-C-O 122.504 1.145 . . . . 0.0 108.612 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -89.36 13.52 13.38 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-N 113.403 -1.726 . . . . 0.0 111.918 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.673 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 17.6 m -62.63 171.01 2.21 Favored 'General case' 0 N--CA 1.492 1.673 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.989 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 t -69.1 -33.4 73.43 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 81.3 p -90.52 -10.49 43.35 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-N 113.396 -1.729 . . . . 0.0 108.99 179.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.06 33.81 23.57 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 124.386 1.054 . . . . 0.0 108.716 -179.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.85 125.04 30.8 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-N 114.161 -1.382 . . . . 0.0 110.178 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.594 ' SG ' ' HA ' ' A' ' 13' ' ' ASP . 87.5 m -124.04 115.63 21.5 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 106.477 -1.675 . . . . 0.0 106.477 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.478 HD21 ' HB2' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -66.78 176.55 1.96 Allowed 'General case' 0 N--CA 1.499 1.978 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -179.677 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -59.14 -14.78 11.4 Favored 'General case' 0 N--CA 1.486 1.353 0 CA-C-N 114.077 -1.419 . . . . 0.0 113.253 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -89.1 13.73 12.42 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.401 ' HA ' HE22 ' A' ' 10' ' ' GLN . 34.9 m120 50.46 41.23 24.79 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 124.377 1.048 . . . . 0.0 109.991 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.478 ' HB2' HD21 ' A' ' 21' ' ' ASN . 6.1 mtpm? -132.21 158.99 40.32 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 105.484 -2.043 . . . . 0.0 105.484 179.776 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.643 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 35.8 m -70.2 174.27 5.73 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 119.131 -1.027 . . . . 0.0 111.412 -179.708 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.7 t . . . . . 0 N--CA 1.492 1.642 0 CA-C-N 114.028 -1.442 . . . . 0.0 109.791 -179.805 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 104.838 -2.282 . . . . 0.0 104.838 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.1 mmt85 -77.34 164.42 25.54 Favored 'General case' 0 N--CA 1.503 2.193 0 N-CA-C 114.333 1.234 . . . . 0.0 114.333 -179.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.6 pt . . . . . 0 N--CA 1.492 1.673 0 CA-C-N 114.394 -1.276 . . . . 0.0 111.005 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.7 p30 . . . . . 0 N--CA 1.503 2.176 0 N-CA-C 117.234 2.309 . . . . 0.0 117.234 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.4 125.64 27.09 Favored 'General case' 0 N--CA 1.496 1.828 0 C-N-CA 120.249 -0.58 . . . . 0.0 110.054 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -49.29 100.86 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.84 0 O-C-N 124.51 1.131 . . . . 0.0 111.845 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.676 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 29.9 p -140.13 142.7 36.0 Favored 'General case' 0 N--CA 1.493 1.707 0 CA-C-N 113.71 -1.586 . . . . 0.0 108.358 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -89.0 160.3 17.18 Favored 'General case' 0 N--CA 1.494 1.754 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.822 -179.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -54.9 -17.84 4.16 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-N 113.552 -1.658 . . . . 0.0 111.542 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 29.0 t-80 -100.79 -39.96 7.56 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 124.357 1.035 . . . . 0.0 110.745 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.3 mt -97.14 65.12 1.99 Allowed 'General case' 0 N--CA 1.498 1.975 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.417 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -82.48 91.85 6.95 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-N 114.208 -1.36 . . . . 0.0 111.556 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -89.72 -17.35 28.45 Favored 'General case' 0 N--CA 1.494 1.744 0 CA-C-N 114.216 -1.356 . . . . 0.0 110.568 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.676 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 2.3 m -49.54 160.76 0.25 Allowed 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 t -69.64 -36.08 75.78 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 92.7 p -83.12 -9.8 59.01 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-N 113.937 -1.483 . . . . 0.0 109.124 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 54.81 31.92 16.58 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 124.498 1.124 . . . . 0.0 108.423 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.9 mttm -129.78 126.1 37.35 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-N 113.987 -1.46 . . . . 0.0 110.061 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 98.8 m -118.49 119.33 34.23 Favored 'General case' 0 C--N 1.308 -1.222 0 N-CA-C 106.389 -1.708 . . . . 0.0 106.389 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.505 HD21 ' HB2' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -69.3 176.96 3.02 Favored 'General case' 0 N--CA 1.498 1.968 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 -179.675 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 17.9 ptp180 -56.26 -18.98 12.09 Favored 'General case' 0 N--CA 1.489 1.476 0 CA-C-N 114.008 -1.451 . . . . 0.0 114.241 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -89.42 16.58 7.33 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 123.663 0.602 . . . . 0.0 110.31 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 50.21 38.95 18.62 Favored 'General case' 0 N--CA 1.494 1.767 0 CA-C-N 114.707 -1.133 . . . . 0.0 110.767 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.505 ' HB2' HD21 ' A' ' 21' ' ' ASN . 37.0 mtmt -127.04 164.24 21.98 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 105.946 -1.872 . . . . 0.0 105.946 179.7 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.596 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 22.9 m -74.22 172.95 10.87 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 119.092 -1.043 . . . . 0.0 112.651 -179.664 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.3 t . . . . . 0 N--CA 1.491 1.607 0 CA-C-N 112.887 -1.96 . . . . 0.0 109.512 -179.843 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.484 0 N-CA-C 105.913 -1.884 . . . . 0.0 105.913 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.419 ' CB ' ' HA ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER -59.68 138.72 57.66 Favored 'General case' 0 N--CA 1.503 2.182 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.78 -179.686 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.1 pt . . . . . 0 N--CA 1.491 1.584 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.55 179.927 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.502 2.147 0 N-CA-C 114.86 1.43 . . . . 0.0 114.86 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -72.98 130.49 40.48 Favored 'General case' 0 N--CA 1.498 1.926 0 C-N-CA 120.089 -0.644 . . . . 0.0 110.51 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.14 108.85 0.15 Allowed 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.692 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 24.4 p -140.23 157.83 44.98 Favored 'General case' 0 N--CA 1.495 1.822 0 CA-C-N 114.409 -1.268 . . . . 0.0 109.938 179.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -90.0 144.04 26.26 Favored 'General case' 0 N--CA 1.496 1.874 0 CA-C-N 114.795 -1.093 . . . . 0.0 110.532 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -57.02 -33.2 66.93 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-N 114.657 -1.156 . . . . 0.0 109.441 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 35.8 t-80 -79.78 -53.46 6.78 Favored 'General case' 0 N--CA 1.487 1.42 0 CA-C-N 113.784 -1.553 . . . . 0.0 110.195 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 mp -97.2 61.08 1.71 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 124.348 1.03 . . . . 0.0 108.981 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -80.23 84.61 5.88 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-N 113.439 -1.709 . . . . 0.0 107.564 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -88.64 19.12 4.12 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-N 113.893 -1.503 . . . . 0.0 111.058 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.692 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 32.5 m -68.15 163.18 23.17 Favored 'General case' 0 N--CA 1.485 1.308 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.279 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.4 t -66.25 -34.8 78.83 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 106.546 -1.65 . . . . 0.0 106.546 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.4 p -90.22 -9.59 47.52 Favored 'General case' 0 N--CA 1.486 1.327 0 CA-C-N 113.745 -1.57 . . . . 0.0 110.075 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.84 25.61 12.22 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 124.117 0.885 . . . . 0.0 110.399 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.7 mmtt -122.74 123.66 41.6 Favored 'General case' 0 N--CA 1.487 1.402 0 CA-C-N 114.738 -1.119 . . . . 0.0 109.556 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.649 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 84.5 m -125.44 112.65 16.53 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 106.992 -1.485 . . . . 0.0 106.992 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 52.8 p30 -64.6 -176.51 0.25 Allowed 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 114.81 1.411 . . . . 0.0 114.81 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -65.52 -17.16 64.35 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-N 113.672 -1.604 . . . . 0.0 112.992 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -89.22 13.78 12.5 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 123.94 0.775 . . . . 0.0 109.376 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 51.02 42.79 28.89 Favored 'General case' 0 N--CA 1.493 1.681 0 CA-C-N 114.685 -1.143 . . . . 0.0 110.229 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.3 mttt -133.72 154.3 51.06 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-N 112.799 -2.001 . . . . 0.0 106.88 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.551 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 75.8 m -67.56 169.92 8.48 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 119.611 -0.836 . . . . 0.0 112.055 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 39.9 t . . . . . 0 N--CA 1.495 1.785 0 CA-C-O 116.268 -1.825 . . . . 0.0 109.51 -179.942 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.415 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 105.462 -2.051 . . . . 0.0 105.462 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.603 ' HE ' HE21 ' A' ' 6' ' ' GLN . 5.2 mtp180 -75.45 154.42 37.04 Favored 'General case' 0 N--CA 1.502 2.169 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 -179.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.7 pt . . . . . 0 N--CA 1.496 1.856 0 CA-C-N 115.206 -0.907 . . . . 0.0 111.779 -179.915 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.7 p30 . . . . . 0 N--CA 1.504 2.251 0 N-CA-C 116.444 2.016 . . . . 0.0 116.444 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.603 HE21 ' HE ' ' A' ' 2' ' ' ARG . 0.8 OUTLIER -69.58 126.89 31.11 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 110.159 -0.311 . . . . 0.0 110.159 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.406 ' NZ ' ' HB2' ' A' ' 24' ' ' ASN . 9.2 tptt -53.7 99.01 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.879 0 O-C-N 124.239 0.962 . . . . 0.0 112.494 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.705 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 25.9 p -137.26 137.6 39.2 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-N 114.252 -1.34 . . . . 0.0 107.914 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -88.87 153.84 20.73 Favored 'General case' 0 N--CA 1.493 1.684 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.378 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -49.23 -17.32 0.23 Allowed 'General case' 0 N--CA 1.495 1.791 0 CA-C-N 113.678 -1.601 . . . . 0.0 114.06 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 48.2 m-70 -90.64 -56.52 3.16 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.49 64.4 2.6 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-O 122.347 1.07 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.554 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 0.2 OUTLIER -84.47 79.91 9.4 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-N 113.561 -1.654 . . . . 0.0 106.732 179.773 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -89.0 23.51 2.37 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-N 113.56 -1.654 . . . . 0.0 111.917 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.705 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 12.7 m -73.09 163.07 28.69 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.675 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.415 ' HA ' ' HB2' ' A' ' 1' ' ' CYS . 1.7 t -69.34 -34.59 74.84 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 105.5 -2.037 . . . . 0.0 105.5 179.676 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 91.5 p -80.79 -12.13 59.49 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-N 113.679 -1.6 . . . . 0.0 107.277 179.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.46 20.73 10.42 Favored 'General case' 0 N--CA 1.496 1.852 0 CA-C-N 114.472 -1.24 . . . . 0.0 110.301 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.3 mttp -128.61 135.81 49.83 Favored 'General case' 0 N--CA 1.487 1.395 0 CA-C-N 114.594 -1.185 . . . . 0.0 111.17 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.554 ' SG ' ' HA ' ' A' ' 13' ' ' ASP . 86.6 m -122.39 128.32 50.8 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 106.405 -1.702 . . . . 0.0 106.405 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.435 HD22 ' H ' ' A' ' 21' ' ' ASN . 3.5 p30 -79.03 -170.85 2.38 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.4 ptp85 -55.64 -28.19 53.98 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 116.883 2.179 . . . . 0.0 116.883 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -89.18 18.96 4.57 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 123.436 0.46 . . . . 0.0 110.488 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.406 ' HB2' ' NZ ' ' A' ' 7' ' ' LYS . 6.3 m-80 49.96 44.36 25.45 Favored 'General case' 0 N--CA 1.497 1.914 0 CA-C-O 122.609 1.195 . . . . 0.0 108.881 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.3 mttt -124.95 164.87 19.17 Favored 'General case' 0 N--CA 1.487 1.413 0 CA-C-N 111.754 -2.476 . . . . 0.0 105.518 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.64 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 17.9 m -80.05 176.1 10.04 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 119.503 -0.879 . . . . 0.0 112.982 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.2 t . . . . . 0 N--CA 1.495 1.8 0 CA-C-O 116.352 -1.785 . . . . 0.0 109.599 -179.895 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 105.009 -2.219 . . . . 0.0 105.009 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.434 HH11 ' NE2' ' A' ' 6' ' ' GLN . 0.0 OUTLIER -76.28 167.53 21.7 Favored 'General case' 0 N--CA 1.503 2.2 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 -179.51 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.492 1.63 0 CA-C-N 113.789 -1.55 . . . . 0.0 111.583 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.505 2.307 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.571 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 8.8 tp-100 -56.01 119.82 6.48 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 123.266 0.354 . . . . 0.0 110.171 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.0 tptt -57.32 98.32 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.833 0 O-C-N 124.348 1.03 . . . . 0.0 110.227 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.669 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 9.0 p -127.32 153.38 46.25 Favored 'General case' 0 N--CA 1.495 1.809 0 CA-C-N 113.972 -1.467 . . . . 0.0 110.34 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -88.92 150.96 22.6 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -44.19 -38.34 3.69 Favored 'General case' 0 N--CA 1.494 1.732 0 CA-C-N 113.638 -1.619 . . . . 0.0 112.681 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -90.79 -39.18 12.52 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 124.061 0.851 . . . . 0.0 110.145 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 23.0 mt -89.88 58.89 4.38 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 124.192 0.932 . . . . 0.0 110.466 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.547 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 0.2 OUTLIER -81.7 99.77 9.11 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-N 114.482 -1.235 . . . . 0.0 108.832 179.891 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.08 -9.96 49.18 Favored 'General case' 0 N--CA 1.493 1.715 0 CA-C-N 113.226 -1.806 . . . . 0.0 110.838 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.708 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 2.2 m -52.44 151.76 3.93 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 124.405 1.066 . . . . 0.0 112.17 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 t -62.46 -41.44 98.76 Favored 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 87.9 p -77.62 -9.47 58.97 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-N 114.145 -1.389 . . . . 0.0 109.664 179.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.56 19.29 10.25 Favored 'General case' 0 N--CA 1.499 2.003 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.483 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 41.0 mttm -109.85 120.36 42.22 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.616 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.708 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 99.4 m -123.7 113.69 18.96 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 179.66 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 52.4 p30 -66.11 -176.07 0.38 Allowed 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 115.057 1.503 . . . . 0.0 115.057 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.94 -18.5 64.31 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-N 113.743 -1.571 . . . . 0.0 112.913 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -89.17 13.79 12.39 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 50.8 37.68 17.64 Favored 'General case' 0 N--CA 1.495 1.798 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.627 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -125.67 152.32 45.39 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-N 113.11 -1.859 . . . . 0.0 106.192 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.669 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 55.4 m -70.22 170.44 11.64 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-O 122.151 0.977 . . . . 0.0 113.39 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.8 t . . . . . 0 N--CA 1.494 1.774 0 CA-C-N 112.465 -2.152 . . . . 0.0 109.141 179.891 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.488 1.438 0 N-CA-C 105.834 -1.913 . . . . 0.0 105.834 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -72.26 160.68 31.99 Favored 'General case' 0 N--CA 1.5 2.051 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.562 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 pt . . . . . 0 N--CA 1.493 1.688 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.686 -179.83 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.407 ' C ' HD22 ' A' ' 5' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.504 2.257 0 N-CA-C 116.532 2.049 . . . . 0.0 116.532 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -75.19 141.14 43.65 Favored 'General case' 0 N--CA 1.498 1.957 0 C-N-CA 120.089 -0.644 . . . . 0.0 111.8 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.0 tptp -52.78 107.15 0.2 Allowed 'General case' 0 N--CA 1.497 1.894 0 CA-C-N 114.72 -1.127 . . . . 0.0 111.817 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.644 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 25.5 p -137.48 143.35 41.69 Favored 'General case' 0 N--CA 1.492 1.661 0 CA-C-N 114.368 -1.287 . . . . 0.0 109.361 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -89.67 133.16 34.79 Favored 'General case' 0 N--CA 1.494 1.73 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.304 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -52.2 -28.38 18.14 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 124.517 1.135 . . . . 0.0 112.444 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 53.5 m-70 -68.93 -41.02 78.66 Favored 'General case' 0 N--CA 1.496 1.848 0 CA-C-N 114.902 -1.044 . . . . 0.0 110.41 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.33 78.35 1.65 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 124.379 1.05 . . . . 0.0 108.799 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -67.84 96.49 0.58 Allowed 'General case' 0 N--CA 1.489 1.505 0 CA-C-N 114.08 -1.418 . . . . 0.0 107.741 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -88.27 -0.35 57.03 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-N 113.549 -1.659 . . . . 0.0 112.383 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.678 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 5.2 m -68.26 156.31 37.92 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 123.614 0.571 . . . . 0.0 112.155 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 t -71.81 -33.82 68.84 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 105.687 -1.968 . . . . 0.0 105.687 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 83.5 p -82.35 0.63 40.9 Favored 'General case' 0 N--CA 1.486 1.356 0 CA-C-N 113.573 -1.648 . . . . 0.0 109.453 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.411 HH12 ' NZ ' ' A' ' 19' ' ' LYS . 41.2 ptt85 43.33 31.84 0.43 Allowed 'General case' 0 N--CA 1.501 2.11 0 O-C-N 124.824 1.327 . . . . 0.0 112.353 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.411 ' NZ ' HH12 ' A' ' 18' ' ' ARG . 15.6 mttp -132.87 125.78 30.74 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-N 114.2 -1.364 . . . . 0.0 110.074 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.678 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 65.3 m -127.04 116.33 20.56 Favored 'General case' 0 N--CA 1.485 1.282 0 N-CA-C 107.518 -1.289 . . . . 0.0 107.518 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 55.8 p30 -66.04 -174.92 0.28 Allowed 'General case' 0 N--CA 1.498 1.955 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -65.04 -20.81 66.67 Favored 'General case' 0 N--CA 1.484 1.267 0 CA-C-N 113.875 -1.511 . . . . 0.0 113.497 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -89.02 17.61 5.64 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 123.997 0.811 . . . . 0.0 110.347 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 51.1 39.09 22.56 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 124.176 0.923 . . . . 0.0 110.073 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? -125.73 154.9 41.79 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-N 113.425 -1.716 . . . . 0.0 106.446 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.516 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 65.9 m -71.29 172.82 8.67 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 119.495 -0.882 . . . . 0.0 110.663 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 23.4 t . . . . . 0 N--CA 1.498 1.955 0 CA-C-O 116.461 -1.733 . . . . 0.0 110.171 180.0 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.488 1.454 0 N-CA-C 106.307 -1.738 . . . . 0.0 106.307 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.92 133.66 39.17 Favored 'General case' 0 N--CA 1.5 2.034 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.464 -179.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 29.2 pt -59.33 158.09 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.95 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 12.4 p30 48.89 10.76 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.166 0 N-CA-C 115.738 1.755 . . . . 0.0 115.738 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.403 ' H ' ' HB2' ' A' ' 26' ' ' CYS . 7.0 tp60 -85.93 128.81 34.92 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.73 103.46 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.911 0 O-C-N 124.397 1.061 . . . . 0.0 112.552 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.683 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 26.4 p -132.52 144.89 50.74 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-N 114.055 -1.43 . . . . 0.0 110.033 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -89.24 136.57 32.95 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-N 114.489 -1.232 . . . . 0.0 108.433 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -56.15 -30.74 62.58 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-N 114.461 -1.245 . . . . 0.0 110.256 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -68.21 -35.91 78.72 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-N 114.48 -1.236 . . . . 0.0 110.341 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -129.8 62.48 1.55 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 124.405 1.066 . . . . 0.0 109.961 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -68.42 93.82 0.51 Allowed 'General case' 0 N--CA 1.498 1.942 0 CA-C-N 114.524 -1.216 . . . . 0.0 108.097 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -89.1 12.16 16.49 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-N 113.401 -1.727 . . . . 0.0 111.698 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.683 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 12.3 m -67.55 159.58 29.48 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.638 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 t -63.76 -36.07 82.68 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 106.647 -1.612 . . . . 0.0 106.647 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.6 p -89.43 -9.73 49.1 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-N 113.51 -1.677 . . . . 0.0 109.802 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 64.1 mtm-85 57.15 24.52 9.84 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 124.26 0.975 . . . . 0.0 110.078 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt -122.2 123.77 42.28 Favored 'General case' 0 N--CA 1.487 1.401 0 CA-C-N 114.487 -1.233 . . . . 0.0 109.18 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.492 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 98.9 m -119.64 118.65 31.51 Favored 'General case' 0 C--N 1.309 -1.164 0 N-CA-C 106.47 -1.678 . . . . 0.0 106.47 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.46 HD21 ' HB2' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -69.53 177.87 2.74 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 123.945 0.778 . . . . 0.0 112.96 -179.794 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.38 -17.51 20.87 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-N 113.994 -1.457 . . . . 0.0 113.262 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -89.47 16.04 8.29 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 123.716 0.635 . . . . 0.0 110.618 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 51.07 36.58 15.76 Favored 'General case' 0 N--CA 1.498 1.928 0 CA-C-N 115.069 -0.969 . . . . 0.0 111.364 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.46 ' HB2' HD21 ' A' ' 21' ' ' ASN . 36.6 mtmt -127.96 162.88 25.75 Favored 'General case' 0 N--CA 1.489 1.515 0 CA-C-N 113.268 -1.787 . . . . 0.0 106.311 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.508 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 66.7 m -73.69 171.97 12.3 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 119.126 -1.029 . . . . 0.0 111.323 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.3 t . . . . . 0 N--CA 1.493 1.709 0 CA-C-N 113.846 -1.525 . . . . 0.0 109.791 -179.947 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.483 ' HB3' ' HA ' ' A' ' 15' ' ' CYS . 0.9 OUTLIER -75.71 133.48 40.76 Favored 'General case' 0 N--CA 1.497 1.903 0 C-N-CA 120.192 -0.603 . . . . 0.0 109.625 -179.794 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.5 pt -62.65 157.55 3.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 CA-C-N 114.807 -1.088 . . . . 0.0 111.814 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.7 p30 52.39 7.96 0.07 Allowed 'General case' 0 N--CA 1.501 2.109 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 11.4 tp60 -81.44 141.61 33.74 Favored 'General case' 0 N--CA 1.49 1.575 0 C-N-CA 120.524 -0.47 . . . . 0.0 110.199 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -51.95 116.47 2.18 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 124.598 1.186 . . . . 0.0 111.545 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.756 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 20.5 p -140.79 155.72 46.33 Favored 'General case' 0 N--CA 1.491 1.6 0 CA-C-N 114.648 -1.16 . . . . 0.0 109.964 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -105.61 150.23 25.59 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 124.741 1.275 . . . . 0.0 111.628 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -63.98 -31.85 73.18 Favored 'General case' 0 N--CA 1.486 1.353 0 CA-C-N 114.66 -1.155 . . . . 0.0 108.852 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -75.71 -46.77 29.3 Favored 'General case' 0 N--CA 1.493 1.681 0 CA-C-N 114.035 -1.438 . . . . 0.0 108.256 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.1 mt -113.87 70.92 0.73 Allowed 'General case' 0 N--CA 1.495 1.786 0 CA-C-N 114.641 -1.163 . . . . 0.0 108.506 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -86.34 80.73 8.61 Favored 'General case' 0 N--CA 1.496 1.826 0 CA-C-N 114.237 -1.347 . . . . 0.0 107.853 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -88.93 18.49 4.8 Favored 'General case' 0 N--CA 1.492 1.637 0 CA-C-N 113.54 -1.664 . . . . 0.0 111.886 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.756 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 70.8 m -66.97 152.63 45.39 Favored 'General case' 0 N--CA 1.488 1.475 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.704 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.5 t -63.26 -34.77 78.39 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 78.7 p -85.75 -20.05 29.86 Favored 'General case' 0 N--CA 1.485 1.292 0 CA-C-N 113.507 -1.679 . . . . 0.0 108.056 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.3 4.08 4.44 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 124.594 1.184 . . . . 0.0 110.662 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.6 mtpt -109.44 126.62 53.67 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 124.054 0.846 . . . . 0.0 109.762 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.605 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 98.4 m -120.37 119.7 33.86 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 124.043 0.839 . . . . 0.0 109.042 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.494 HD21 ' HB2' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -70.16 176.79 3.62 Favored 'General case' 0 N--CA 1.502 2.174 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 -63.32 -10.33 15.88 Favored 'General case' 0 N--CA 1.49 1.525 0 CA-C-N 115.373 -0.83 . . . . 0.0 112.564 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -89.14 8.58 29.33 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 124.082 0.864 . . . . 0.0 109.296 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 55.89 36.73 27.84 Favored 'General case' 0 N--CA 1.498 1.949 0 CA-C-O 122.068 0.937 . . . . 0.0 110.941 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.494 ' HB2' HD21 ' A' ' 21' ' ' ASN . 40.7 mtmt -129.54 159.79 35.25 Favored 'General case' 0 N--CA 1.488 1.44 0 CA-C-N 113.006 -1.906 . . . . 0.0 107.219 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 94.4 m -73.14 168.13 19.73 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 119.325 -0.95 . . . . 0.0 110.13 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 t . . . . . 0 N--CA 1.495 1.825 0 CA-C-O 116.425 -1.75 . . . . 0.0 110.482 -179.799 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.488 1.439 0 N-CA-C 105.394 -2.076 . . . . 0.0 105.394 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.15 161.59 29.83 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 113.82 1.045 . . . . 0.0 113.82 -179.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.2 pt -78.24 157.17 5.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 CA-C-N 114.512 -1.222 . . . . 0.0 111.37 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 58.96 -7.8 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.094 0 N-CA-C 116.188 1.922 . . . . 0.0 116.188 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -71.43 135.26 47.13 Favored 'General case' 0 N--CA 1.494 1.77 0 C-N-CA 119.769 -0.772 . . . . 0.0 110.677 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? -51.79 107.28 0.19 Allowed 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.753 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 24.8 p -137.95 154.01 49.42 Favored 'General case' 0 N--CA 1.496 1.861 0 CA-C-N 114.305 -1.316 . . . . 0.0 109.552 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -89.44 148.91 23.2 Favored 'General case' 0 N--CA 1.496 1.83 0 CA-C-N 115.553 -0.748 . . . . 0.0 111.992 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 39.2 mm-40 -56.7 -16.72 6.87 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 113.924 -1.489 . . . . 0.0 111.978 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -105.24 -49.22 3.51 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 124.339 1.024 . . . . 0.0 108.284 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 53.4 mt -92.12 63.89 4.45 Favored 'General case' 0 N--CA 1.494 1.762 0 CA-C-O 122.266 1.031 . . . . 0.0 108.429 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -78.57 98.09 6.01 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-N 113.498 -1.683 . . . . 0.0 106.608 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.51 -12.18 43.63 Favored 'General case' 0 N--CA 1.493 1.716 0 CA-C-N 113.859 -1.519 . . . . 0.0 110.761 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.753 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 3.5 m -52.33 154.82 2.27 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 124.518 1.136 . . . . 0.0 113.715 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 t -71.24 -35.54 71.48 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 106.033 -1.84 . . . . 0.0 106.033 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.4 p -81.58 2.07 30.92 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-N 114.171 -1.377 . . . . 0.0 109.651 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 43.87 27.77 0.2 Allowed 'General case' 0 N--CA 1.502 2.148 0 O-C-N 124.82 1.325 . . . . 0.0 112.971 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 54.1 mttt -131.77 127.09 36.0 Favored 'General case' 0 N--CA 1.487 1.402 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.014 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.518 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 85.6 m -118.85 124.22 46.63 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 106.425 -1.694 . . . . 0.0 106.425 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 56.1 p30 -67.97 -172.42 0.29 Allowed 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.54 -14.7 62.18 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 114.745 -1.116 . . . . 0.0 113.705 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -89.2 13.77 12.51 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.3 m120 53.6 37.13 25.24 Favored 'General case' 0 N--CA 1.495 1.822 0 CA-C-O 122.1 0.952 . . . . 0.0 109.265 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -120.41 163.49 17.8 Favored 'General case' 0 N--CA 1.489 1.504 0 CA-C-N 112.667 -2.06 . . . . 0.0 106.269 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.613 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 16.2 m -79.84 175.35 10.71 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 119.676 -0.809 . . . . 0.0 111.533 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 40.2 t . . . . . 0 N--CA 1.495 1.795 0 CA-C-N 113.548 -1.66 . . . . 0.0 109.262 179.887 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.488 1.47 0 N-CA-C 106.073 -1.825 . . . . 0.0 106.073 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -77.38 148.8 35.34 Favored 'General case' 0 N--CA 1.501 2.088 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.633 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.438 HD12 ' O ' ' A' ' 4' ' ' HYP . 1.0 OUTLIER -73.12 161.79 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.58 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . 0.438 ' O ' HD12 ' A' ' 3' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 64.36 -7.89 0.22 Allowed 'General case' 0 N--CA 1.503 2.187 0 O-C-N 125.111 1.507 . . . . 0.0 114.631 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.406 ' H ' ' C ' ' A' ' 4' ' ' HYP . 0.8 OUTLIER -68.4 125.66 27.17 Favored 'General case' 0 N--CA 1.497 1.891 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.213 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.61 103.44 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.026 0 O-C-N 124.22 0.95 . . . . 0.0 111.806 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.726 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 31.2 p -140.58 135.86 32.22 Favored 'General case' 0 N--CA 1.493 1.702 0 CA-C-N 114.112 -1.404 . . . . 0.0 109.366 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.516 ' H ' ' HB2' ' A' ' 12' ' ' LEU . 22.8 t80 -89.2 165.58 14.36 Favored 'General case' 0 N--CA 1.493 1.716 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.552 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.427 HE22 ' ND2' ' A' ' 24' ' ' ASN . 2.1 mp0 -52.3 -43.06 64.27 Favored 'General case' 0 N--CA 1.488 1.47 0 CA-C-N 114.302 -1.317 . . . . 0.0 109.76 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 32.8 m-70 -83.05 -35.09 26.02 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-N 114.277 -1.329 . . . . 0.0 108.467 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.516 ' HB2' ' H ' ' A' ' 9' ' ' PHE . 59.5 mt -90.93 47.93 1.47 Allowed 'General case' 0 N--CA 1.496 1.863 0 O-C-N 124.218 0.949 . . . . 0.0 108.89 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.433 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 34.2 t70 -79.4 77.02 5.97 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-N 114.693 -1.139 . . . . 0.0 109.066 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -91.47 1.59 57.02 Favored 'General case' 0 N--CA 1.496 1.852 0 CA-C-N 113.111 -1.859 . . . . 0.0 113.184 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.726 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 4.4 m -62.03 158.87 15.52 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 t -73.76 -30.56 62.86 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-N 113.035 -1.893 . . . . 0.0 107.127 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.4 p -86.67 -12.96 46.87 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-N 113.485 -1.689 . . . . 0.0 108.894 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? 58.66 35.81 24.66 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 124.614 1.196 . . . . 0.0 109.116 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -137.27 123.82 20.93 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 114.303 -1.317 . . . . 0.0 110.143 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.57 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 79.9 m -122.65 115.04 21.43 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 106.157 -1.794 . . . . 0.0 106.157 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.466 HD21 ' HB2' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -68.55 176.1 3.1 Favored 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 -179.595 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -56.51 -17.93 9.93 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-N 113.489 -1.687 . . . . 0.0 113.558 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -89.46 16.08 8.22 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 123.826 0.704 . . . . 0.0 110.388 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.427 ' ND2' HE22 ' A' ' 10' ' ' GLN . 14.4 m120 51.07 38.51 20.89 Favored 'General case' 0 N--CA 1.495 1.824 0 CA-C-N 114.79 -1.096 . . . . 0.0 111.007 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.466 ' HB2' HD21 ' A' ' 21' ' ' ASN . 51.8 mttt -130.51 160.94 32.62 Favored 'General case' 0 N--CA 1.489 1.48 0 CA-C-N 113.303 -1.771 . . . . 0.0 106.553 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.589 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 55.1 m -71.13 172.19 9.63 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 119.291 -0.964 . . . . 0.0 111.62 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.7 t . . . . . 0 N--CA 1.493 1.707 0 CA-C-N 113.559 -1.655 . . . . 0.0 109.565 -179.834 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 105.658 -1.978 . . . . 0.0 105.658 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.42 ' HB3' ' HA ' ' A' ' 15' ' ' CYS . 1.4 tpp85 -73.97 145.51 44.59 Favored 'General case' 0 N--CA 1.5 2.051 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.643 -179.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 pt -72.81 160.53 5.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.83 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 60.07 -2.72 0.14 Allowed 'General case' 0 N--CA 1.502 2.157 0 N-CA-C 115.759 1.762 . . . . 0.0 115.759 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -74.79 127.2 32.59 Favored 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.697 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -47.21 103.1 0.04 OUTLIER 'General case' 0 N--CA 1.499 1.998 0 O-C-N 124.385 1.053 . . . . 0.0 113.276 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.737 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 27.8 p -140.17 154.15 46.86 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-N 114.784 -1.098 . . . . 0.0 110.402 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -89.87 148.57 23.09 Favored 'General case' 0 N--CA 1.497 1.92 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.529 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -56.06 -33.32 64.9 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-N 114.524 -1.216 . . . . 0.0 110.943 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 28.6 m-70 -84.66 -47.51 10.42 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 124.54 1.15 . . . . 0.0 108.513 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.1 mt -95.67 61.38 2.25 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-N 114.759 -1.11 . . . . 0.0 109.069 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.474 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 0.4 OUTLIER -78.45 99.32 6.38 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-N 114.176 -1.375 . . . . 0.0 107.586 179.866 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.61 -3.04 58.88 Favored 'General case' 0 N--CA 1.494 1.736 0 CA-C-N 113.329 -1.76 . . . . 0.0 110.928 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.737 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 3.7 m -60.54 157.28 14.55 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 113.65 0.981 . . . . 0.0 113.65 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.5 t -66.63 -35.31 79.88 Favored 'General case' 0 N--CA 1.487 1.402 0 CA-C-N 113.042 -1.89 . . . . 0.0 106.277 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.9 p -85.99 -10.6 54.83 Favored 'General case' 0 N--CA 1.486 1.335 0 CA-C-N 113.44 -1.709 . . . . 0.0 108.726 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.44 24.53 13.17 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 124.289 0.993 . . . . 0.0 110.48 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 41.0 mtmt -122.61 123.52 41.37 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.43 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.525 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 94.6 m -119.3 116.11 25.54 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 106.578 -1.638 . . . . 0.0 106.578 179.748 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.465 HD21 ' HB2' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -66.51 178.25 1.31 Allowed 'General case' 0 N--CA 1.5 2.072 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -179.606 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -58.89 -16.63 18.45 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-N 114.105 -1.407 . . . . 0.0 113.514 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -89.0 13.93 11.77 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 49.58 39.72 17.81 Favored 'General case' 0 N--CA 1.494 1.763 0 CA-C-N 114.678 -1.146 . . . . 0.0 110.555 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.465 ' HB2' HD21 ' A' ' 21' ' ' ASN . 64.8 mttt -129.19 162.18 28.41 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 105.415 -2.069 . . . . 0.0 105.415 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.614 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 44.2 m -72.34 172.55 10.16 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 119.148 -1.021 . . . . 0.0 112.586 -179.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.8 t . . . . . 0 N--CA 1.493 1.684 0 CA-C-N 113.311 -1.768 . . . . 0.0 109.584 -179.872 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 105.199 -2.149 . . . . 0.0 105.199 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -74.56 148.95 40.38 Favored 'General case' 0 N--CA 1.5 2.059 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.884 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.2 pt -68.49 157.89 6.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.806 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.4 p30 46.24 26.39 0.45 Allowed 'General case' 0 N--CA 1.502 2.142 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.5 ' H ' ' HB2' ' A' ' 26' ' ' CYS . 1.6 tp60 -105.31 124.82 50.19 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.3 tppt? -49.64 99.1 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.846 0 O-C-N 124.124 0.89 . . . . 0.0 113.158 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.693 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 26.5 p -128.07 145.82 50.88 Favored 'General case' 0 N--CA 1.497 1.903 0 CA-C-N 114.565 -1.198 . . . . 0.0 109.719 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -89.56 151.08 22.13 Favored 'General case' 0 N--CA 1.494 1.744 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.734 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -60.61 -34.13 73.77 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-N 113.389 -1.732 . . . . 0.0 111.04 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -74.48 -16.43 60.85 Favored 'General case' 0 N--CA 1.495 1.803 0 CA-C-N 114.536 -1.211 . . . . 0.0 111.991 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -145.17 79.49 1.59 Allowed 'General case' 0 N--CA 1.498 1.969 0 CA-C-O 122.171 0.986 . . . . 0.0 110.392 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.84 95.37 6.02 Favored 'General case' 0 N--CA 1.494 1.725 0 CA-C-N 113.846 -1.524 . . . . 0.0 108.216 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.07 -5.47 57.82 Favored 'General case' 0 N--CA 1.495 1.798 0 CA-C-N 113.296 -1.775 . . . . 0.0 110.168 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.693 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 4.5 m -58.6 155.35 12.58 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 124.198 0.936 . . . . 0.0 113.267 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.5 t -67.09 -35.85 80.7 Favored 'General case' 0 N--CA 1.49 1.537 0 CA-C-N 113.416 -1.72 . . . . 0.0 106.587 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 86.4 p -80.77 -15.47 56.35 Favored 'General case' 0 N--CA 1.488 1.459 0 CA-C-N 114.204 -1.362 . . . . 0.0 108.774 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 63.35 22.04 13.09 Favored 'General case' 0 N--CA 1.499 1.976 0 CA-C-N 114.592 -1.185 . . . . 0.0 109.276 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.3 mttt -125.46 125.11 42.8 Favored 'General case' 0 N--CA 1.488 1.447 0 CA-C-N 114.468 -1.242 . . . . 0.0 110.439 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.54 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 77.4 m -118.35 117.18 28.38 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 105.507 -2.035 . . . . 0.0 105.507 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.3 p30 -68.6 -178.92 1.24 Allowed 'General case' 0 N--CA 1.498 1.965 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -16.48 52.07 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-N 114.257 -1.338 . . . . 0.0 113.757 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -88.97 13.61 12.46 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 19.6 m120 49.86 38.15 15.23 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 124.199 0.937 . . . . 0.0 109.195 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.0 mmtp -121.73 159.61 26.26 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-N 112.652 -2.067 . . . . 0.0 105.613 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.599 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 23.6 m -78.42 171.79 14.58 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 118.932 -1.107 . . . . 0.0 110.667 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 29.1 t . . . . . 0 N--CA 1.495 1.818 0 CA-C-N 113.365 -1.743 . . . . 0.0 109.363 179.963 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.488 1.456 0 N-CA-C 106.105 -1.813 . . . . 0.0 106.105 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 16.1 mtt180 -65.79 156.08 34.27 Favored 'General case' 0 N--CA 1.501 2.111 0 CA-C-N 115.58 -0.737 . . . . 0.0 112.708 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.8 pt -73.91 171.0 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.433 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 68.19 -10.39 0.43 Allowed 'General case' 0 N--CA 1.504 2.26 0 O-C-N 125.303 1.627 . . . . 0.0 114.96 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.18 125.24 22.8 Favored 'General case' 0 N--CA 1.499 2.002 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.38 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.7 mmtt -54.92 106.37 0.22 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 124.283 0.989 . . . . 0.0 111.219 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.703 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 16.8 p -140.06 157.54 45.49 Favored 'General case' 0 N--CA 1.494 1.737 0 CA-C-N 114.074 -1.421 . . . . 0.0 110.325 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -89.49 151.29 22.06 Favored 'General case' 0 N--CA 1.494 1.761 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.191 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -57.53 -15.77 8.05 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-N 113.941 -1.482 . . . . 0.0 111.756 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 16.0 m170 -105.3 -45.4 4.49 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 124.497 1.123 . . . . 0.0 108.501 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.0 mt -91.29 62.33 4.68 Favored 'General case' 0 N--CA 1.496 1.875 0 CA-C-N 114.878 -1.056 . . . . 0.0 108.662 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.455 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 3.9 m-20 -80.34 85.63 5.8 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-N 113.944 -1.48 . . . . 0.0 107.497 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.62 5.13 47.07 Favored 'General case' 0 N--CA 1.497 1.924 0 CA-C-N 112.832 -1.985 . . . . 0.0 111.689 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.703 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 6.1 m -64.6 159.77 21.12 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.212 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.5 t -64.23 -34.99 79.36 Favored 'General case' 0 N--CA 1.494 1.775 0 N-CA-C 106.444 -1.687 . . . . 0.0 106.444 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.8 p -84.54 -15.91 44.14 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 113.717 -1.583 . . . . 0.0 108.687 179.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 59.92 31.27 20.63 Favored 'General case' 0 N--CA 1.5 2.031 0 CA-C-N 114.417 -1.265 . . . . 0.0 109.741 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.7 mtpp -127.12 122.04 33.12 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-N 114.65 -1.159 . . . . 0.0 110.033 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.474 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 74.4 m -120.02 116.12 25.1 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 52.6 p30 -66.48 -176.96 0.5 Allowed 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.1 ptp85 -59.69 -20.75 58.36 Favored 'General case' 0 N--CA 1.487 1.384 0 CA-C-N 113.479 -1.691 . . . . 0.0 113.425 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -89.22 15.29 9.17 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 123.958 0.786 . . . . 0.0 109.596 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 50.09 38.05 15.87 Favored 'General case' 0 N--CA 1.498 1.961 0 CA-C-O 122.223 1.011 . . . . 0.0 110.452 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.1 mtmm -127.11 155.42 43.34 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 112.788 -2.005 . . . . 0.0 105.915 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.574 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 69.0 m -68.56 171.05 8.07 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 -179.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 46.6 t . . . . . 0 N--CA 1.496 1.843 0 CA-C-N 113.181 -1.827 . . . . 0.0 109.379 179.917 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.488 1.426 0 N-CA-C 105.367 -2.086 . . . . 0.0 105.367 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -66.68 154.88 39.5 Favored 'General case' 0 N--CA 1.501 2.084 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.456 HD13 ' H ' ' A' ' 3' ' ' ILE . 0.0 OUTLIER -80.39 155.54 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 CA-C-N 115.03 -0.986 . . . . 0.0 111.01 -179.92 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . 0.433 ' C ' ' H ' ' A' ' 6' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 52.83 1.67 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.117 0 N-CA-C 115.739 1.755 . . . . 0.0 115.739 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.433 ' H ' ' C ' ' A' ' 4' ' ' HYP . 0.8 OUTLIER -79.93 133.12 36.19 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.03 117.74 2.27 Favored 'General case' 0 N--CA 1.495 1.794 0 CA-C-O 122.369 1.081 . . . . 0.0 113.024 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.644 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 24.4 p -141.48 173.91 11.05 Favored 'General case' 0 N--CA 1.494 1.755 0 CA-C-N 113.743 -1.571 . . . . 0.0 109.964 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -112.41 136.73 51.54 Favored 'General case' 0 N--CA 1.494 1.746 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.663 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -57.09 -38.52 73.48 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 124.109 0.881 . . . . 0.0 109.398 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 30.0 t-80 -69.08 -45.12 71.09 Favored 'General case' 0 N--CA 1.491 1.604 0 CA-C-N 114.009 -1.45 . . . . 0.0 110.187 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.6 mt -111.97 70.37 0.71 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 124.552 1.157 . . . . 0.0 108.177 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -71.67 97.66 1.78 Allowed 'General case' 0 N--CA 1.489 1.487 0 CA-C-N 113.607 -1.633 . . . . 0.0 108.405 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.69 -10.02 49.95 Favored 'General case' 0 N--CA 1.491 1.605 0 CA-C-N 113.014 -1.903 . . . . 0.0 111.951 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.644 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 5.4 m -58.82 155.58 12.78 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 t -69.43 -34.93 75.17 Favored 'General case' 0 N--CA 1.492 1.654 0 CA-C-N 113.788 -1.551 . . . . 0.0 106.952 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 94.5 p -78.84 -13.39 59.83 Favored 'General case' 0 N--CA 1.488 1.441 0 CA-C-N 113.855 -1.521 . . . . 0.0 108.961 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.9 mtm105 59.44 28.05 17.33 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 124.546 1.154 . . . . 0.0 109.175 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -129.92 124.58 33.46 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 114.134 -1.394 . . . . 0.0 109.778 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.612 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 55.4 m -124.37 115.44 20.97 Favored 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 105.888 -1.893 . . . . 0.0 105.888 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.5 HD21 ' HB2' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -68.27 177.7 2.21 Favored 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 113.213 0.82 . . . . 0.0 113.213 -179.72 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.1 -13.47 17.47 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-N 114.103 -1.408 . . . . 0.0 113.254 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -89.68 12.52 16.68 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 50.0 42.51 24.72 Favored 'General case' 0 N--CA 1.494 1.76 0 CA-C-O 122.511 1.148 . . . . 0.0 110.235 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.5 ' HB2' HD21 ' A' ' 21' ' ' ASN . 5.4 mtpm? -132.11 163.83 27.63 Favored 'General case' 0 C--N 1.306 -1.283 0 CA-C-N 112.086 -2.325 . . . . 0.0 105.135 179.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.407 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 63.9 m -76.05 172.99 11.85 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 119.148 -1.021 . . . . 0.0 111.497 -179.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.3 t . . . . . 0 N--CA 1.493 1.678 0 CA-C-O 116.347 -1.787 . . . . 0.0 109.634 -179.909 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 105.649 -1.982 . . . . 0.0 105.649 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.64 155.81 39.93 Favored 'General case' 0 N--CA 1.502 2.162 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 -179.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 36.3 pt -80.16 157.86 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.352 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 12.4 p30 48.61 10.78 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.171 0 N-CA-C 116.642 2.09 . . . . 0.0 116.642 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.402 ' H ' ' HB2' ' A' ' 26' ' ' CYS . 0.8 OUTLIER -86.39 133.5 33.78 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -44.0 98.05 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.701 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 31.1 p -140.33 146.39 38.4 Favored 'General case' 0 N--CA 1.496 1.846 0 CA-C-N 114.305 -1.316 . . . . 0.0 108.491 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -89.18 157.3 18.32 Favored 'General case' 0 N--CA 1.494 1.749 0 CA-C-O 121.675 0.75 . . . . 0.0 112.466 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 -59.43 -16.68 25.1 Favored 'General case' 0 N--CA 1.489 1.504 0 CA-C-N 113.333 -1.758 . . . . 0.0 110.815 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -105.22 -33.28 8.29 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-N 114.676 -1.147 . . . . 0.0 108.721 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 73.4 mt -102.18 68.18 1.09 Allowed 'General case' 0 N--CA 1.495 1.781 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.877 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -83.98 92.79 7.92 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 113.624 -1.625 . . . . 0.0 110.344 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.95 -21.38 22.48 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-N 113.237 -1.801 . . . . 0.0 110.214 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.701 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 3.2 m -47.51 156.35 0.29 Allowed 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 -179.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 t -67.13 -38.23 85.2 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 105.948 -1.871 . . . . 0.0 105.948 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.4 p -80.62 -11.7 59.61 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-N 113.868 -1.515 . . . . 0.0 109.548 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.7 mmm-85 55.38 29.03 12.35 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 124.397 1.061 . . . . 0.0 110.349 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 78.8 mttt -125.12 123.67 40.2 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-N 114.218 -1.356 . . . . 0.0 108.807 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.479 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 95.6 m -122.59 115.57 22.37 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 106.572 -1.64 . . . . 0.0 106.572 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.426 HD21 ' HB2' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -68.05 176.34 2.7 Favored 'General case' 0 N--CA 1.496 1.83 0 CA-C-N 115.244 -0.889 . . . . 0.0 112.849 -179.75 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -62.57 -12.27 21.71 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-N 114.153 -1.385 . . . . 0.0 113.142 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -89.33 12.56 15.82 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 51.75 40.73 28.22 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-N 114.695 -1.139 . . . . 0.0 111.174 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.426 ' HB2' HD21 ' A' ' 21' ' ' ASN . 33.6 mtmt -132.67 163.18 29.53 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 105.925 -1.879 . . . . 0.0 105.925 179.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.529 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 64.4 m -73.01 172.12 11.59 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 119.121 -1.032 . . . . 0.0 110.836 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.8 t . . . . . 0 N--CA 1.495 1.79 0 CA-C-O 117.155 -1.403 . . . . 0.0 109.939 -179.829 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.488 1.459 0 N-CA-C 105.628 -1.99 . . . . 0.0 105.628 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.15 154.96 39.97 Favored 'General case' 0 N--CA 1.501 2.11 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.1 pt -77.22 154.81 5.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.633 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.403 ' C ' HD22 ' A' ' 5' ' ' ASN . 0.0 OUTLIER 60.04 -0.8 0.21 Allowed 'General case' 0 N--CA 1.504 2.24 0 N-CA-C 116.28 1.956 . . . . 0.0 116.28 179.893 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -81.33 136.79 35.78 Favored 'General case' 0 N--CA 1.495 1.798 0 C-N-CA 120.089 -0.645 . . . . 0.0 110.983 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -48.66 105.2 0.07 Allowed 'General case' 0 N--CA 1.496 1.854 0 O-C-N 124.642 1.214 . . . . 0.0 112.976 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.74 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 25.7 p -133.23 164.55 26.82 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-N 114.417 -1.265 . . . . 0.0 110.928 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -89.92 140.67 29.39 Favored 'General case' 0 N--CA 1.495 1.817 0 CA-C-N 114.629 -1.169 . . . . 0.0 111.275 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -58.56 -52.0 67.52 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-N 114.916 -1.038 . . . . 0.0 109.294 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -69.16 -54.53 14.43 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-N 113.537 -1.665 . . . . 0.0 111.065 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.7 mt -92.1 67.55 5.08 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-O 122.639 1.209 . . . . 0.0 107.99 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -69.02 97.8 0.9 Allowed 'General case' 0 N--CA 1.487 1.4 0 CA-C-N 112.421 -2.172 . . . . 0.0 108.183 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -88.57 -5.07 58.42 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-N 113.137 -1.847 . . . . 0.0 111.977 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.74 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 9.0 m -63.44 159.18 18.95 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 113.688 0.995 . . . . 0.0 113.688 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 t -74.05 -35.64 64.32 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 105.607 -1.997 . . . . 0.0 105.607 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.9 p -81.19 0.9 34.43 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-N 113.817 -1.538 . . . . 0.0 109.36 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 44.1 29.62 0.36 Allowed 'General case' 0 N--CA 1.5 2.033 0 O-C-N 125.117 1.51 . . . . 0.0 112.34 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 41.5 mtmt -134.57 126.23 28.86 Favored 'General case' 0 N--CA 1.485 1.276 0 CA-C-N 114.208 -1.36 . . . . 0.0 109.812 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.634 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 65.0 m -122.64 122.96 40.05 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 106.319 -1.734 . . . . 0.0 106.319 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.466 HD22 ' H ' ' A' ' 21' ' ' ASN . 2.5 p30 -80.46 -175.85 5.39 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 114.704 1.372 . . . . 0.0 114.704 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -55.02 -25.22 28.79 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 116.913 2.19 . . . . 0.0 116.913 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -88.86 20.72 3.39 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 123.6 0.562 . . . . 0.0 109.505 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.3 m120 49.28 38.61 14.0 Favored 'General case' 0 N--CA 1.497 1.903 0 CA-C-N 114.624 -1.171 . . . . 0.0 110.253 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 71.7 mttt -123.49 169.5 11.33 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 112.914 -1.948 . . . . 0.0 107.142 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.509 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 56.2 m -79.42 175.09 10.92 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 119.993 -0.683 . . . . 0.0 112.309 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 78.5 t . . . . . 0 N--CA 1.496 1.868 0 CA-C-O 116.57 -1.681 . . . . 0.0 109.629 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 106.002 -1.851 . . . . 0.0 106.002 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.416 ' HB3' ' HA ' ' A' ' 15' ' ' CYS . 32.7 ttm-85 -78.21 137.5 38.16 Favored 'General case' 0 N--CA 1.5 2.046 0 CA-C-O 121.045 0.45 . . . . 0.0 111.124 -179.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 15.8 pt -60.1 157.07 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 CA-C-N 115.201 -0.909 . . . . 0.0 113.229 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 47.1 11.13 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.152 0 N-CA-C 115.734 1.754 . . . . 0.0 115.734 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.408 HE22 ' NH2' ' A' ' 2' ' ' ARG . 0.3 OUTLIER -86.15 142.66 28.49 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -179.906 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.7 mmtm -50.84 104.96 0.09 Allowed 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.614 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 28.2 p -140.21 -165.47 1.91 Allowed 'General case' 0 N--CA 1.494 1.771 0 CA-C-N 114.51 -1.223 . . . . 0.0 109.186 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -136.24 151.55 49.8 Favored 'General case' 0 N--CA 1.499 1.992 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -59.15 -21.16 58.92 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-N 113.48 -1.691 . . . . 0.0 110.295 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 31.7 t-80 -98.52 -51.02 4.08 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.082 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.9 mt -93.88 66.39 3.65 Favored 'General case' 0 N--CA 1.495 1.791 0 CA-C-N 114.775 -1.102 . . . . 0.0 109.056 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -77.95 84.49 4.23 Favored 'General case' 0 N--CA 1.494 1.751 0 CA-C-N 113.339 -1.755 . . . . 0.0 108.072 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.28 5.4 45.11 Favored 'General case' 0 N--CA 1.497 1.892 0 CA-C-N 113.179 -1.828 . . . . 0.0 110.539 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.63 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 7.5 m -67.3 161.19 25.56 Favored 'General case' 0 N--CA 1.488 1.441 0 CA-C-N 115.293 -0.867 . . . . 0.0 112.52 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 t -67.06 -35.8 80.65 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 105.663 -1.977 . . . . 0.0 105.663 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.8 p -83.32 -16.19 47.13 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-N 113.777 -1.556 . . . . 0.0 108.6 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.1 ttp85 61.19 30.48 19.32 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-N 114.576 -1.193 . . . . 0.0 109.87 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp -131.38 124.55 30.55 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 114.332 -1.304 . . . . 0.0 109.679 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.63 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 94.9 m -122.61 120.25 33.18 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 106.89 -1.522 . . . . 0.0 106.89 179.649 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 56.8 p30 -70.87 -174.19 0.9 Allowed 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 113.55 0.945 . . . . 0.0 113.55 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -66.38 -17.96 65.08 Favored 'General case' 0 N--CA 1.485 1.275 0 CA-C-N 114.426 -1.261 . . . . 0.0 113.16 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -89.14 15.81 8.21 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 123.923 0.764 . . . . 0.0 110.138 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 49.64 37.54 12.97 Favored 'General case' 0 N--CA 1.497 1.911 0 CA-C-O 122.391 1.091 . . . . 0.0 110.909 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.7 mttt -124.4 151.62 44.22 Favored 'General case' 0 N--CA 1.486 1.336 0 CA-C-N 112.55 -2.114 . . . . 0.0 105.512 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.601 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 57.1 m -71.62 172.4 9.72 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 119.268 -0.973 . . . . 0.0 110.946 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 43.4 t . . . . . 0 N--CA 1.495 1.781 0 CA-C-O 116.302 -1.808 . . . . 0.0 109.642 -179.993 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.488 1.47 0 N-CA-C 105.366 -2.086 . . . . 0.0 105.366 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 9.4 mmt85 -78.01 161.08 27.75 Favored 'General case' 0 N--CA 1.5 2.026 0 N-CA-C 114.93 1.456 . . . . 0.0 114.93 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 40.3 pt -73.22 164.37 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 CA-C-N 113.725 -1.58 . . . . 0.0 111.209 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.434 HD22 ' N ' ' A' ' 6' ' ' GLN . 0.0 OUTLIER 74.27 -10.46 1.13 Allowed 'General case' 0 N--CA 1.504 2.244 0 O-C-N 125.541 1.776 . . . . 0.0 114.023 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.495 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 9.4 tp-100 -61.25 123.59 18.15 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 123.435 0.46 . . . . 0.0 109.774 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.31 103.53 0.08 Allowed 'General case' 0 N--CA 1.496 1.86 0 O-C-N 124.28 0.987 . . . . 0.0 110.474 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.763 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 29.3 p -140.61 144.12 35.61 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-N 114.096 -1.411 . . . . 0.0 110.507 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -89.73 155.77 18.98 Favored 'General case' 0 N--CA 1.491 1.625 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.692 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.404 ' H ' ' CD ' ' A' ' 10' ' ' GLN . 8.3 mp0 -51.02 -35.89 36.66 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-N 113.922 -1.49 . . . . 0.0 111.254 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 26.5 m170 -85.76 -44.3 12.62 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.567 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mp -92.02 58.19 3.3 Favored 'General case' 0 N--CA 1.496 1.857 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.068 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.444 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 4.5 t0 -76.67 93.0 3.57 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-N 114.192 -1.367 . . . . 0.0 109.918 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.61 -1.33 57.99 Favored 'General case' 0 N--CA 1.493 1.699 0 CA-C-N 114.497 -1.228 . . . . 0.0 111.604 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.763 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 3.1 m -65.34 158.7 25.78 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 114.852 1.427 . . . . 0.0 114.852 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 t -78.3 -34.88 48.5 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 104.855 -2.276 . . . . 0.0 104.855 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 93.7 p -79.03 1.76 22.88 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-N 113.581 -1.645 . . . . 0.0 109.392 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 43.32 30.62 0.32 Allowed 'General case' 0 N--CA 1.5 2.064 0 O-C-N 124.789 1.306 . . . . 0.0 112.362 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 33.1 mttp -135.26 125.2 25.71 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-N 114.522 -1.217 . . . . 0.0 110.701 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.588 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 92.7 m -122.04 112.37 18.17 Favored 'General case' 0 N--CA 1.484 1.249 0 N-CA-C 105.792 -1.929 . . . . 0.0 105.792 179.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 55.7 p30 -62.79 -175.4 0.09 Allowed 'General case' 0 N--CA 1.497 1.921 0 N-CA-C 115.26 1.578 . . . . 0.0 115.26 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -18.28 65.12 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-N 113.437 -1.71 . . . . 0.0 113.182 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -89.29 12.29 16.5 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 123.873 0.733 . . . . 0.0 109.089 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.2 m120 51.73 42.62 29.98 Favored 'General case' 0 N--CA 1.496 1.86 0 CA-C-O 122.466 1.127 . . . . 0.0 109.288 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -130.96 156.12 45.64 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-N 112.31 -2.223 . . . . 0.0 105.958 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.616 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 57.4 m -71.45 169.86 14.48 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 119.365 -0.934 . . . . 0.0 112.509 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 41.5 t . . . . . 0 N--CA 1.495 1.788 0 CA-C-N 112.775 -2.011 . . . . 0.0 109.739 -179.975 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.496 0 N-CA-C 106.661 -1.607 . . . . 0.0 106.661 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.419 ' HB3' ' HA ' ' A' ' 15' ' ' CYS . 1.0 OUTLIER -79.96 129.82 34.79 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 123.484 0.49 . . . . 0.0 109.68 -179.694 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 37.5 pt -58.31 153.45 3.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . 0.452 ' C ' ' H ' ' A' ' 6' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 64.82 -13.45 0.11 Allowed 'General case' 0 N--CA 1.502 2.139 0 O-C-N 125.474 1.734 . . . . 0.0 113.658 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.452 ' H ' ' C ' ' A' ' 4' ' ' HYP . 8.6 tp-100 -64.71 135.82 56.27 Favored 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 120.349 -0.54 . . . . 0.0 109.578 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.64 119.71 7.06 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-O 122.541 1.162 . . . . 0.0 112.475 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.611 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 15.9 p -141.77 -159.02 0.92 Allowed 'General case' 0 N--CA 1.492 1.673 0 CA-C-N 113.109 -1.859 . . . . 0.0 107.867 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -146.3 153.08 40.15 Favored 'General case' 0 N--CA 1.495 1.784 0 CA-C-O 121.41 0.624 . . . . 0.0 111.09 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.497 ' NE2' ' H ' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -56.23 -29.68 61.32 Favored 'General case' 0 N--CA 1.492 1.634 0 CA-C-N 113.939 -1.482 . . . . 0.0 110.174 179.791 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -84.88 -58.03 2.87 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-N 114.218 -1.356 . . . . 0.0 108.189 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.8 mt -98.09 66.47 1.83 Allowed 'General case' 0 N--CA 1.495 1.777 0 CA-C-N 114.185 -1.37 . . . . 0.0 110.175 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.546 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 1.1 p-10 -87.07 88.63 7.75 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 106.287 -1.745 . . . . 0.0 106.287 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -88.88 11.02 19.15 Favored 'General case' 0 N--CA 1.493 1.699 0 CA-C-N 113.209 -1.814 . . . . 0.0 112.444 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.682 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 4.9 m -63.55 160.21 17.07 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.416 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 t -62.3 -35.54 79.34 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 106.683 -1.599 . . . . 0.0 106.683 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.8 p -90.39 -11.53 40.25 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-N 113.691 -1.595 . . . . 0.0 109.171 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.71 27.19 15.58 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 124.422 1.076 . . . . 0.0 109.742 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -118.34 121.42 40.33 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-N 114.216 -1.356 . . . . 0.0 108.764 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.682 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 87.5 m -123.84 115.81 21.94 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 56.0 p30 -65.26 -173.68 0.14 Allowed 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.8 ptp180 -68.75 -18.08 64.15 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 114.132 -1.395 . . . . 0.0 112.746 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -89.09 15.8 8.17 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 123.884 0.74 . . . . 0.0 110.076 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.6 m120 50.25 39.38 19.78 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 124.335 1.022 . . . . 0.0 110.418 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -125.52 154.58 41.9 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-N 112.742 -2.026 . . . . 0.0 105.992 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.611 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 43.0 m -74.83 170.54 15.71 Favored 'General case' 0 N--CA 1.485 1.325 0 CA-C-O 122.151 0.977 . . . . 0.0 111.772 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.6 t . . . . . 0 N--CA 1.496 1.846 0 CA-C-N 112.785 -2.007 . . . . 0.0 109.558 -179.996 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 105.25 -2.13 . . . . 0.0 105.25 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.51 153.46 42.9 Favored 'General case' 0 N--CA 1.501 2.075 0 N-CA-C 112.613 0.598 . . . . 0.0 112.613 -179.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.1 pt -74.85 153.59 6.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.738 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 63.71 -10.66 0.12 Allowed 'General case' 0 N--CA 1.503 2.204 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.74 127.72 33.52 Favored 'General case' 0 N--CA 1.495 1.813 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.736 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -51.68 105.43 0.11 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 124.481 1.113 . . . . 0.0 111.475 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.64 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 9.6 p -132.66 159.55 39.27 Favored 'General case' 0 N--CA 1.495 1.819 0 CA-C-N 114.777 -1.101 . . . . 0.0 110.764 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -89.6 140.0 29.99 Favored 'General case' 0 N--CA 1.491 1.625 0 CA-C-N 114.437 -1.256 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -52.77 -31.27 37.46 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 124.458 1.099 . . . . 0.0 111.273 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 44.4 m-70 -83.35 -48.82 9.99 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-N 114.831 -1.077 . . . . 0.0 108.242 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.6 mt -91.17 55.81 2.96 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-N 114.619 -1.173 . . . . 0.0 109.539 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -78.97 87.1 4.79 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.88 1.05 55.98 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-N 113.226 -1.806 . . . . 0.0 111.465 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.64 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 6.7 m -55.55 161.13 2.14 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 124.02 0.825 . . . . 0.0 111.749 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 t -64.94 -35.55 81.52 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 91.5 p -87.06 -11.07 51.37 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-N 114.111 -1.404 . . . . 0.0 108.731 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 50.9 mtm180 56.85 31.22 19.24 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 124.46 1.1 . . . . 0.0 109.895 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.2 mttp -127.72 123.26 34.97 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-N 114.292 -1.322 . . . . 0.0 109.428 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.527 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 84.0 m -120.13 112.43 19.09 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 105.993 -1.854 . . . . 0.0 105.993 179.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 56.4 p30 -60.42 -173.98 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.065 0 N-CA-C 115.833 1.79 . . . . 0.0 115.833 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.6 ptt85 -64.11 -19.74 65.48 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-N 113.658 -1.61 . . . . 0.0 112.876 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -89.11 13.46 13.05 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 123.953 0.783 . . . . 0.0 109.575 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 13.5 m120 51.54 40.04 26.1 Favored 'General case' 0 N--CA 1.499 1.996 0 CA-C-O 121.998 0.904 . . . . 0.0 109.365 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 65.6 mttt -128.47 155.72 44.35 Favored 'General case' 0 N--CA 1.489 1.483 0 CA-C-N 113.02 -1.9 . . . . 0.0 106.635 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.596 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 57.9 m -69.4 170.12 11.07 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-O 122.145 0.974 . . . . 0.0 112.934 -179.671 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 47.0 t . . . . . 0 N--CA 1.496 1.854 0 CA-C-N 112.7 -2.046 . . . . 0.0 109.365 179.89 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 105.023 -2.214 . . . . 0.0 105.023 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.647 ' HE ' ' H ' ' A' ' 3' ' ' ILE . 0.0 OUTLIER -71.95 145.09 48.65 Favored 'General case' 0 N--CA 1.501 2.106 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -179.613 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.647 ' H ' ' HE ' ' A' ' 2' ' ' ARG . 9.9 pt -65.27 155.24 6.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 CA-C-N 114.664 -1.153 . . . . 0.0 111.773 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 59.37 0.21 0.19 Allowed 'General case' 0 N--CA 1.503 2.206 0 N-CA-C 115.422 1.638 . . . . 0.0 115.422 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.414 HE21 ' NH2' ' A' ' 2' ' ' ARG . 0.5 OUTLIER -74.41 129.45 37.8 Favored 'General case' 0 N--CA 1.499 1.982 0 C-N-CA 120.168 -0.613 . . . . 0.0 109.487 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.82 99.57 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 -179.752 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.673 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 28.4 p -140.73 138.98 34.59 Favored 'General case' 0 N--CA 1.496 1.831 0 CA-C-N 114.077 -1.42 . . . . 0.0 108.064 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -89.27 156.35 18.8 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-O 121.508 0.671 . . . . 0.0 111.195 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.401 HE22 ' HA ' ' A' ' 24' ' ' ASN . 3.7 mp0 -56.34 -32.58 64.84 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-N 113.719 -1.582 . . . . 0.0 110.465 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -69.3 -33.71 73.59 Favored 'General case' 0 N--CA 1.494 1.771 0 CA-C-N 114.946 -1.025 . . . . 0.0 110.549 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.2 72.44 1.31 Allowed 'General case' 0 N--CA 1.497 1.892 0 O-C-N 124.432 1.082 . . . . 0.0 110.421 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.594 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 2.7 p-10 -88.87 80.38 7.15 Favored 'General case' 0 N--CA 1.496 1.861 0 CA-C-O 122.504 1.145 . . . . 0.0 108.612 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -89.36 13.52 13.38 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-N 113.403 -1.726 . . . . 0.0 111.918 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.673 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 17.6 m -62.63 171.01 2.21 Favored 'General case' 0 N--CA 1.492 1.673 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.989 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 t -69.1 -33.4 73.43 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 81.3 p -90.52 -10.49 43.35 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-N 113.396 -1.729 . . . . 0.0 108.99 179.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.06 33.81 23.57 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 124.386 1.054 . . . . 0.0 108.716 -179.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.85 125.04 30.8 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-N 114.161 -1.382 . . . . 0.0 110.178 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.594 ' SG ' ' HA ' ' A' ' 13' ' ' ASP . 87.5 m -124.04 115.63 21.5 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 106.477 -1.675 . . . . 0.0 106.477 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.478 HD21 ' HB2' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -66.78 176.55 1.96 Allowed 'General case' 0 N--CA 1.499 1.978 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -179.677 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -59.14 -14.78 11.4 Favored 'General case' 0 N--CA 1.486 1.353 0 CA-C-N 114.077 -1.419 . . . . 0.0 113.253 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -89.1 13.73 12.42 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.401 ' HA ' HE22 ' A' ' 10' ' ' GLN . 34.9 m120 50.46 41.23 24.79 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 124.377 1.048 . . . . 0.0 109.991 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.478 ' HB2' HD21 ' A' ' 21' ' ' ASN . 6.1 mtpm? -132.21 158.99 40.32 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 105.484 -2.043 . . . . 0.0 105.484 179.776 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.643 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 35.8 m -70.2 174.27 5.73 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 119.131 -1.027 . . . . 0.0 111.412 -179.708 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.7 t . . . . . 0 N--CA 1.492 1.642 0 CA-C-N 114.028 -1.442 . . . . 0.0 109.791 -179.805 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 104.838 -2.282 . . . . 0.0 104.838 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.1 mmt85 -77.34 164.42 25.54 Favored 'General case' 0 N--CA 1.503 2.193 0 N-CA-C 114.333 1.234 . . . . 0.0 114.333 -179.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.6 pt -77.59 159.62 4.91 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 CA-C-N 114.394 -1.276 . . . . 0.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.7 p30 56.42 -8.06 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.176 0 N-CA-C 117.234 2.309 . . . . 0.0 117.234 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.4 125.64 27.09 Favored 'General case' 0 N--CA 1.496 1.828 0 C-N-CA 120.249 -0.58 . . . . 0.0 110.054 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -49.29 100.86 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.84 0 O-C-N 124.51 1.131 . . . . 0.0 111.845 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.676 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 29.9 p -140.13 142.7 36.0 Favored 'General case' 0 N--CA 1.493 1.707 0 CA-C-N 113.71 -1.586 . . . . 0.0 108.358 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -89.0 160.3 17.18 Favored 'General case' 0 N--CA 1.494 1.754 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.822 -179.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -54.9 -17.84 4.16 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-N 113.552 -1.658 . . . . 0.0 111.542 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 29.0 t-80 -100.79 -39.96 7.56 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 124.357 1.035 . . . . 0.0 110.745 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.3 mt -97.14 65.12 1.99 Allowed 'General case' 0 N--CA 1.498 1.975 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.417 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -82.48 91.85 6.95 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-N 114.208 -1.36 . . . . 0.0 111.556 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -89.72 -17.35 28.45 Favored 'General case' 0 N--CA 1.494 1.744 0 CA-C-N 114.216 -1.356 . . . . 0.0 110.568 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.676 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 2.3 m -49.54 160.76 0.25 Allowed 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 t -69.64 -36.08 75.78 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 92.7 p -83.12 -9.8 59.01 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-N 113.937 -1.483 . . . . 0.0 109.124 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 54.81 31.92 16.58 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 124.498 1.124 . . . . 0.0 108.423 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.9 mttm -129.78 126.1 37.35 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-N 113.987 -1.46 . . . . 0.0 110.061 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 98.8 m -118.49 119.33 34.23 Favored 'General case' 0 C--N 1.308 -1.222 0 N-CA-C 106.389 -1.708 . . . . 0.0 106.389 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.505 HD21 ' HB2' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -69.3 176.96 3.02 Favored 'General case' 0 N--CA 1.498 1.968 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 -179.675 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 17.9 ptp180 -56.26 -18.98 12.09 Favored 'General case' 0 N--CA 1.489 1.476 0 CA-C-N 114.008 -1.451 . . . . 0.0 114.241 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -89.42 16.58 7.33 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 123.663 0.602 . . . . 0.0 110.31 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 50.21 38.95 18.62 Favored 'General case' 0 N--CA 1.494 1.767 0 CA-C-N 114.707 -1.133 . . . . 0.0 110.767 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.505 ' HB2' HD21 ' A' ' 21' ' ' ASN . 37.0 mtmt -127.04 164.24 21.98 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 105.946 -1.872 . . . . 0.0 105.946 179.7 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.596 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 22.9 m -74.22 172.95 10.87 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 119.092 -1.043 . . . . 0.0 112.651 -179.664 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.3 t . . . . . 0 N--CA 1.491 1.607 0 CA-C-N 112.887 -1.96 . . . . 0.0 109.512 -179.843 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.484 0 N-CA-C 105.913 -1.884 . . . . 0.0 105.913 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.419 ' CB ' ' HA ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER -59.68 138.72 57.66 Favored 'General case' 0 N--CA 1.503 2.182 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.78 -179.686 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.1 pt -70.16 155.82 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.55 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 66.19 -6.64 0.46 Allowed 'General case' 0 N--CA 1.502 2.147 0 O-C-N 125.133 1.521 . . . . 0.0 114.86 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -72.98 130.49 40.48 Favored 'General case' 0 N--CA 1.498 1.926 0 C-N-CA 120.089 -0.644 . . . . 0.0 110.51 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.14 108.85 0.15 Allowed 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.692 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 24.4 p -140.23 157.83 44.98 Favored 'General case' 0 N--CA 1.495 1.822 0 CA-C-N 114.409 -1.268 . . . . 0.0 109.938 179.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -90.0 144.04 26.26 Favored 'General case' 0 N--CA 1.496 1.874 0 CA-C-N 114.795 -1.093 . . . . 0.0 110.532 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -57.02 -33.2 66.93 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-N 114.657 -1.156 . . . . 0.0 109.441 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 35.8 t-80 -79.78 -53.46 6.78 Favored 'General case' 0 N--CA 1.487 1.42 0 CA-C-N 113.784 -1.553 . . . . 0.0 110.195 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 mp -97.2 61.08 1.71 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 124.348 1.03 . . . . 0.0 108.981 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -80.23 84.61 5.88 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-N 113.439 -1.709 . . . . 0.0 107.564 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -88.64 19.12 4.12 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-N 113.893 -1.503 . . . . 0.0 111.058 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.692 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 32.5 m -68.15 163.18 23.17 Favored 'General case' 0 N--CA 1.485 1.308 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.279 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.4 t -66.25 -34.8 78.83 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 106.546 -1.65 . . . . 0.0 106.546 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.4 p -90.22 -9.59 47.52 Favored 'General case' 0 N--CA 1.486 1.327 0 CA-C-N 113.745 -1.57 . . . . 0.0 110.075 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.84 25.61 12.22 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 124.117 0.885 . . . . 0.0 110.399 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.7 mmtt -122.74 123.66 41.6 Favored 'General case' 0 N--CA 1.487 1.402 0 CA-C-N 114.738 -1.119 . . . . 0.0 109.556 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.649 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 84.5 m -125.44 112.65 16.53 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 106.992 -1.485 . . . . 0.0 106.992 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 52.8 p30 -64.6 -176.51 0.25 Allowed 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 114.81 1.411 . . . . 0.0 114.81 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -65.52 -17.16 64.35 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-N 113.672 -1.604 . . . . 0.0 112.992 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -89.22 13.78 12.5 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 123.94 0.775 . . . . 0.0 109.376 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 51.02 42.79 28.89 Favored 'General case' 0 N--CA 1.493 1.681 0 CA-C-N 114.685 -1.143 . . . . 0.0 110.229 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.3 mttt -133.72 154.3 51.06 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-N 112.799 -2.001 . . . . 0.0 106.88 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.551 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 75.8 m -67.56 169.92 8.48 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 119.611 -0.836 . . . . 0.0 112.055 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 39.9 t . . . . . 0 N--CA 1.495 1.785 0 CA-C-O 116.268 -1.825 . . . . 0.0 109.51 -179.942 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.415 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 105.462 -2.051 . . . . 0.0 105.462 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.603 ' HE ' HE21 ' A' ' 6' ' ' GLN . 5.2 mtp180 -75.45 154.42 37.04 Favored 'General case' 0 N--CA 1.502 2.169 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 -179.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.7 pt -70.04 167.86 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 CA-C-N 115.206 -0.907 . . . . 0.0 111.779 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . 0.451 ' C ' ' H ' ' A' ' 6' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.7 p30 52.36 -0.36 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.251 0 N-CA-C 116.444 2.016 . . . . 0.0 116.444 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.603 HE21 ' HE ' ' A' ' 2' ' ' ARG . 0.8 OUTLIER -69.58 126.89 31.11 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 110.159 -0.311 . . . . 0.0 110.159 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.406 ' NZ ' ' HB2' ' A' ' 24' ' ' ASN . 9.2 tptt -53.7 99.01 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.879 0 O-C-N 124.239 0.962 . . . . 0.0 112.494 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.705 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 25.9 p -137.26 137.6 39.2 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-N 114.252 -1.34 . . . . 0.0 107.914 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -88.87 153.84 20.73 Favored 'General case' 0 N--CA 1.493 1.684 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.378 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -49.23 -17.32 0.23 Allowed 'General case' 0 N--CA 1.495 1.791 0 CA-C-N 113.678 -1.601 . . . . 0.0 114.06 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 48.2 m-70 -90.64 -56.52 3.16 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.49 64.4 2.6 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-O 122.347 1.07 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.554 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 0.2 OUTLIER -84.47 79.91 9.4 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-N 113.561 -1.654 . . . . 0.0 106.732 179.773 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -89.0 23.51 2.37 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-N 113.56 -1.654 . . . . 0.0 111.917 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.705 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 12.7 m -73.09 163.07 28.69 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.675 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.415 ' HA ' ' HB2' ' A' ' 1' ' ' CYS . 1.7 t -69.34 -34.59 74.84 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 105.5 -2.037 . . . . 0.0 105.5 179.676 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 91.5 p -80.79 -12.13 59.49 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-N 113.679 -1.6 . . . . 0.0 107.277 179.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.46 20.73 10.42 Favored 'General case' 0 N--CA 1.496 1.852 0 CA-C-N 114.472 -1.24 . . . . 0.0 110.301 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.3 mttp -128.61 135.81 49.83 Favored 'General case' 0 N--CA 1.487 1.395 0 CA-C-N 114.594 -1.185 . . . . 0.0 111.17 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.554 ' SG ' ' HA ' ' A' ' 13' ' ' ASP . 86.6 m -122.39 128.32 50.8 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 106.405 -1.702 . . . . 0.0 106.405 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.435 HD22 ' H ' ' A' ' 21' ' ' ASN . 3.5 p30 -79.03 -170.85 2.38 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.4 ptp85 -55.64 -28.19 53.98 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 116.883 2.179 . . . . 0.0 116.883 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -89.18 18.96 4.57 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 123.436 0.46 . . . . 0.0 110.488 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.406 ' HB2' ' NZ ' ' A' ' 7' ' ' LYS . 6.3 m-80 49.96 44.36 25.45 Favored 'General case' 0 N--CA 1.497 1.914 0 CA-C-O 122.609 1.195 . . . . 0.0 108.881 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.3 mttt -124.95 164.87 19.17 Favored 'General case' 0 N--CA 1.487 1.413 0 CA-C-N 111.754 -2.476 . . . . 0.0 105.518 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.64 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 17.9 m -80.05 176.1 10.04 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 119.503 -0.879 . . . . 0.0 112.982 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.2 t . . . . . 0 N--CA 1.495 1.8 0 CA-C-O 116.352 -1.785 . . . . 0.0 109.599 -179.895 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 105.009 -2.219 . . . . 0.0 105.009 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.434 HH11 ' NE2' ' A' ' 6' ' ' GLN . 0.0 OUTLIER -76.28 167.53 21.7 Favored 'General case' 0 N--CA 1.503 2.2 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 -179.51 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.543 HD12 ' O ' ' A' ' 4' ' ' HYP . 0.9 OUTLIER -81.28 159.28 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 CA-C-N 113.789 -1.55 . . . . 0.0 111.583 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . 0.543 ' O ' HD12 ' A' ' 3' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 66.05 -14.58 0.14 Allowed 'General case' 0 N--CA 1.505 2.307 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.571 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 8.8 tp-100 -56.01 119.82 6.48 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 123.266 0.354 . . . . 0.0 110.171 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.0 tptt -57.32 98.32 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.833 0 O-C-N 124.348 1.03 . . . . 0.0 110.227 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.669 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 9.0 p -127.32 153.38 46.25 Favored 'General case' 0 N--CA 1.495 1.809 0 CA-C-N 113.972 -1.467 . . . . 0.0 110.34 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -88.92 150.96 22.6 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -44.19 -38.34 3.69 Favored 'General case' 0 N--CA 1.494 1.732 0 CA-C-N 113.638 -1.619 . . . . 0.0 112.681 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -90.79 -39.18 12.52 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 124.061 0.851 . . . . 0.0 110.145 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 23.0 mt -89.88 58.89 4.38 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 124.192 0.932 . . . . 0.0 110.466 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.547 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 0.2 OUTLIER -81.7 99.77 9.11 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-N 114.482 -1.235 . . . . 0.0 108.832 179.891 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.08 -9.96 49.18 Favored 'General case' 0 N--CA 1.493 1.715 0 CA-C-N 113.226 -1.806 . . . . 0.0 110.838 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.708 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 2.2 m -52.44 151.76 3.93 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 124.405 1.066 . . . . 0.0 112.17 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 t -62.46 -41.44 98.76 Favored 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 87.9 p -77.62 -9.47 58.97 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-N 114.145 -1.389 . . . . 0.0 109.664 179.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.56 19.29 10.25 Favored 'General case' 0 N--CA 1.499 2.003 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.483 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 41.0 mttm -109.85 120.36 42.22 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.616 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.708 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 99.4 m -123.7 113.69 18.96 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 179.66 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 52.4 p30 -66.11 -176.07 0.38 Allowed 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 115.057 1.503 . . . . 0.0 115.057 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.94 -18.5 64.31 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-N 113.743 -1.571 . . . . 0.0 112.913 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -89.17 13.79 12.39 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 50.8 37.68 17.64 Favored 'General case' 0 N--CA 1.495 1.798 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.627 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -125.67 152.32 45.39 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-N 113.11 -1.859 . . . . 0.0 106.192 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.669 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 55.4 m -70.22 170.44 11.64 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-O 122.151 0.977 . . . . 0.0 113.39 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.8 t . . . . . 0 N--CA 1.494 1.774 0 CA-C-N 112.465 -2.152 . . . . 0.0 109.141 179.891 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.488 1.438 0 N-CA-C 105.834 -1.913 . . . . 0.0 105.834 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -72.26 160.68 31.99 Favored 'General case' 0 N--CA 1.5 2.051 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.562 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 pt -81.69 161.76 3.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.686 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.407 ' C ' HD22 ' A' ' 5' ' ' ASN . 0.0 OUTLIER 59.98 -3.55 0.12 Allowed 'General case' 0 N--CA 1.504 2.257 0 N-CA-C 116.532 2.049 . . . . 0.0 116.532 179.85 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -75.19 141.14 43.65 Favored 'General case' 0 N--CA 1.498 1.957 0 C-N-CA 120.089 -0.644 . . . . 0.0 111.8 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.0 tptp -52.78 107.15 0.2 Allowed 'General case' 0 N--CA 1.497 1.894 0 CA-C-N 114.72 -1.127 . . . . 0.0 111.817 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.644 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 25.5 p -137.48 143.35 41.69 Favored 'General case' 0 N--CA 1.492 1.661 0 CA-C-N 114.368 -1.287 . . . . 0.0 109.361 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -89.67 133.16 34.79 Favored 'General case' 0 N--CA 1.494 1.73 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.304 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -52.2 -28.38 18.14 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 124.517 1.135 . . . . 0.0 112.444 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 53.5 m-70 -68.93 -41.02 78.66 Favored 'General case' 0 N--CA 1.496 1.848 0 CA-C-N 114.902 -1.044 . . . . 0.0 110.41 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.33 78.35 1.65 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 124.379 1.05 . . . . 0.0 108.799 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -67.84 96.49 0.58 Allowed 'General case' 0 N--CA 1.489 1.505 0 CA-C-N 114.08 -1.418 . . . . 0.0 107.741 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -88.27 -0.35 57.03 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-N 113.549 -1.659 . . . . 0.0 112.383 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.678 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 5.2 m -68.26 156.31 37.92 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 123.614 0.571 . . . . 0.0 112.155 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 t -71.81 -33.82 68.84 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 105.687 -1.968 . . . . 0.0 105.687 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 83.5 p -82.35 0.63 40.9 Favored 'General case' 0 N--CA 1.486 1.356 0 CA-C-N 113.573 -1.648 . . . . 0.0 109.453 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.411 HH12 ' NZ ' ' A' ' 19' ' ' LYS . 41.2 ptt85 43.33 31.84 0.43 Allowed 'General case' 0 N--CA 1.501 2.11 0 O-C-N 124.824 1.327 . . . . 0.0 112.353 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.411 ' NZ ' HH12 ' A' ' 18' ' ' ARG . 15.6 mttp -132.87 125.78 30.74 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-N 114.2 -1.364 . . . . 0.0 110.074 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.678 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 65.3 m -127.04 116.33 20.56 Favored 'General case' 0 N--CA 1.485 1.282 0 N-CA-C 107.518 -1.289 . . . . 0.0 107.518 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 55.8 p30 -66.04 -174.92 0.28 Allowed 'General case' 0 N--CA 1.498 1.955 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -65.04 -20.81 66.67 Favored 'General case' 0 N--CA 1.484 1.267 0 CA-C-N 113.875 -1.511 . . . . 0.0 113.497 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -89.02 17.61 5.64 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 123.997 0.811 . . . . 0.0 110.347 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 51.1 39.09 22.56 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 124.176 0.923 . . . . 0.0 110.073 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? -125.73 154.9 41.79 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-N 113.425 -1.716 . . . . 0.0 106.446 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.516 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 65.9 m -71.29 172.82 8.67 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 119.495 -0.882 . . . . 0.0 110.663 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 23.4 t . . . . . 0 N--CA 1.498 1.955 0 CA-C-O 116.461 -1.733 . . . . 0.0 110.171 180.0 . . . . . . . . 0 0 . 1 stop_ save_