data_1jlo_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 1jlo _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 ' 4' ' ' CYS . . . . . . . . . . . . . 9.9 t . . . . . 0 N--CA 1.474 0.752 0 CA-C-O 117.23 -1.367 . . . . 0.0 114.638 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 13.3 m -98.36 95.56 7.43 Favored 'General case' 0 C--N 1.355 0.827 0 N-CA-C 105.113 -2.181 . . . . 0.0 105.113 168.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.9 tp -108.04 132.07 53.93 Favored 'General case' 0 N--CA 1.442 -0.868 0 N-CA-C 103.065 -2.939 . . . . 0.0 103.065 175.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 65.03 23.56 12.51 Favored 'General case' 0 CA--C 1.589 2.446 0 CA-C-N 111.567 -2.56 . . . . 0.0 114.957 -171.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.84 -17.81 10.51 Favored Glycine 0 CA--C 1.537 1.456 0 N-CA-C 121.886 3.515 . . . . 0.0 121.886 -157.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -121.34 158.24 28.67 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 126.048 2.832 . . . . 0.0 111.343 -151.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.2 t -88.89 96.79 10.84 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 108.416 -3.993 . . . . 0.0 112.51 -154.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -99.44 149.31 23.32 Favored 'General case' 0 CA--C 1.55 0.958 0 CA-C-N 113.017 -1.902 . . . . 0.0 110.6 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.19 60.94 3.29 Favored 'General case' 0 CA--C 1.558 1.25 0 CA-C-N 111.977 -2.374 . . . . 0.0 114.481 -165.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 . . . . . 0 CA--C 1.565 1.551 0 CA-C-N 114.439 -1.255 . . . . 0.0 111.609 169.431 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.556 2.642 0 N-CA-C 117.93 1.932 . . . . 0.0 117.93 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.503 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 39.2 t -99.71 10.64 40.99 Favored 'General case' 0 CA--C 1.571 1.77 0 N-CA-C 115.811 1.782 . . . . 0.0 115.811 172.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.2 p -48.97 -20.15 0.48 Allowed 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 117.261 2.319 . . . . 0.0 117.261 146.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.3 p -113.24 30.29 7.31 Favored 'General case' 0 CA--C 1.558 1.27 0 N-CA-C 116.226 1.936 . . . . 0.0 116.226 163.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.425 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . -71.57 157.03 38.72 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-O 123.991 1.853 . . . . 0.0 111.023 144.324 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.1 p -88.33 -36.78 16.43 Favored 'General case' 0 CA--C 1.554 1.123 0 N-CA-C 118.097 2.629 . . . . 0.0 118.097 -176.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.2 p -52.77 -23.86 7.68 Favored 'General case' 0 N--CA 1.505 2.29 0 N-CA-C 118.339 2.718 . . . . 0.0 118.339 156.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.8 m -72.91 -28.04 62.23 Favored 'General case' 0 CA--C 1.553 1.061 0 N-CA-C 118.094 2.627 . . . . 0.0 118.094 169.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -65.42 -47.33 76.64 Favored 'General case' 0 CA--C 1.558 1.286 0 C-N-CA 126.458 1.903 . . . . 0.0 115.231 170.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.283 70.2 ttp85 . . . . . 0 CA--C 1.57 1.746 0 N-CA-C 118.338 2.718 . . . . 0.0 118.338 164.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.5 t . . . . . 0 N--CA 1.473 0.685 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 14.2 m -96.73 90.56 5.33 Favored 'General case' 0 C--N 1.355 0.81 0 N-CA-C 105.25 -2.13 . . . . 0.0 105.25 166.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.1 tp -104.25 129.75 52.06 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 103.697 -2.705 . . . . 0.0 103.697 177.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 64.25 24.71 13.41 Favored 'General case' 0 CA--C 1.586 2.355 0 CA-C-N 111.38 -2.645 . . . . 0.0 115.072 -170.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.3 -21.15 6.26 Favored Glycine 0 CA--C 1.536 1.353 0 N-CA-C 121.833 3.493 . . . . 0.0 121.833 -157.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -118.01 155.4 30.36 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 125.885 2.755 . . . . 0.0 109.971 -151.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.3 t -86.06 100.43 12.16 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 108.906 -3.77 . . . . 0.0 111.775 -157.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.9 ptp180 -103.58 143.16 33.11 Favored 'General case' 0 CA--C 1.552 1.023 0 CA-C-N 113.582 -1.644 . . . . 0.0 109.931 -177.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.37 62.37 6.61 Favored 'General case' 0 CA--C 1.561 1.385 0 CA-C-N 113.479 -1.691 . . . . 0.0 114.327 -168.102 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 . . . . . 0 CA--C 1.567 1.616 0 CA-C-N 114.202 -1.363 . . . . 0.0 111.825 165.393 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.556 2.631 0 N-CA-C 117.787 1.875 . . . . 0.0 117.787 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.51 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 37.8 t -100.61 10.71 40.81 Favored 'General case' 0 CA--C 1.571 1.759 0 N-CA-C 115.742 1.756 . . . . 0.0 115.742 172.498 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.0 p -49.0 -19.67 0.43 Allowed 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 117.304 2.335 . . . . 0.0 117.304 146.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.2 p -113.81 29.58 7.9 Favored 'General case' 0 CA--C 1.558 1.28 0 N-CA-C 116.34 1.978 . . . . 0.0 116.34 163.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.416 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . -70.88 157.44 38.13 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-O 123.9 1.81 . . . . 0.0 111.181 144.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.8 p -88.71 -37.34 15.59 Favored 'General case' 0 CA--C 1.556 1.18 0 N-CA-C 118.004 2.594 . . . . 0.0 118.004 -176.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.2 p -53.13 -23.43 8.07 Favored 'General case' 0 N--CA 1.506 2.366 0 N-CA-C 118.259 2.688 . . . . 0.0 118.259 156.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 23.3 m -73.0 -28.88 62.63 Favored 'General case' 0 CA--C 1.553 1.094 0 N-CA-C 118.009 2.596 . . . . 0.0 118.009 168.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 54.8 mm-40 -63.87 -30.61 71.68 Favored 'General case' 0 CA--C 1.568 1.672 0 N-CA-C 116.886 2.18 . . . . 0.0 116.886 167.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.7 tpp85 . . . . . 0 CA--C 1.575 1.931 0 N-CA-C 117.935 2.569 . . . . 0.0 117.935 164.013 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.407 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 7.8 t . . . . . 0 N--CA 1.475 0.798 0 N-CA-C 115.359 1.614 . . . . 0.0 115.359 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 10.7 m -102.6 96.03 6.62 Favored 'General case' 0 C--N 1.351 0.669 0 N-CA-C 105.233 -2.136 . . . . 0.0 105.233 161.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.6 tp -108.48 131.31 54.94 Favored 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 103.45 -2.796 . . . . 0.0 103.45 174.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 64.17 23.82 13.26 Favored 'General case' 0 CA--C 1.587 2.394 0 CA-C-N 111.649 -2.523 . . . . 0.0 115.063 -171.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.87 -19.67 7.32 Favored Glycine 0 CA--C 1.539 1.555 0 N-CA-C 122.019 3.568 . . . . 0.0 122.019 -157.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -117.7 156.79 27.63 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 125.763 2.697 . . . . 0.0 110.647 -152.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.6 t -85.76 104.14 15.18 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 109.186 -3.643 . . . . 0.0 112.996 -153.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -91.53 147.41 23.03 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-N 112.924 -1.944 . . . . 0.0 110.543 -173.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 39.8 mtm105 -93.17 62.93 3.58 Favored 'General case' 0 CA--C 1.563 1.454 0 CA-C-N 113.524 -1.671 . . . . 0.0 112.849 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 . . . . . 0 CA--C 1.569 1.698 0 C-N-CA 124.733 1.213 . . . . 0.0 111.545 167.179 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.555 2.589 0 N-CA-C 117.687 1.835 . . . . 0.0 117.687 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.499 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 37.4 t -103.62 12.01 35.42 Favored 'General case' 0 CA--C 1.57 1.746 0 N-CA-C 115.588 1.699 . . . . 0.0 115.588 172.715 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.0 m -50.63 -18.9 0.77 Allowed 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 116.657 2.095 . . . . 0.0 116.657 147.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.2 p -114.0 30.42 7.28 Favored 'General case' 0 CA--C 1.559 1.3 0 N-CA-C 116.207 1.929 . . . . 0.0 116.207 163.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.418 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . -71.17 157.1 38.74 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-O 123.996 1.855 . . . . 0.0 111.018 144.194 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.4 p -89.0 -37.04 15.49 Favored 'General case' 0 CA--C 1.555 1.163 0 N-CA-C 118.003 2.594 . . . . 0.0 118.003 -175.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 16.9 p -52.97 -24.07 8.63 Favored 'General case' 0 N--CA 1.506 2.335 0 N-CA-C 118.26 2.689 . . . . 0.0 118.26 156.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 23.1 m -72.68 -28.29 62.61 Favored 'General case' 0 CA--C 1.553 1.081 0 N-CA-C 118.106 2.632 . . . . 0.0 118.106 168.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 55.2 mm-40 -64.15 -30.7 71.74 Favored 'General case' 0 CA--C 1.568 1.666 0 N-CA-C 116.861 2.171 . . . . 0.0 116.861 167.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.4 tpp180 . . . . . 0 CA--C 1.576 1.979 0 N-CA-C 117.874 2.546 . . . . 0.0 117.874 164.009 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.3 t . . . . . 0 N--CA 1.475 0.788 0 CA-C-O 116.765 -1.588 . . . . 0.0 114.389 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 11.9 m -88.0 87.83 7.46 Favored 'General case' 0 C--N 1.358 0.972 0 N-CA-C 106.283 -1.747 . . . . 0.0 106.283 167.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 30.1 tp -105.38 129.19 53.76 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 102.858 -3.016 . . . . 0.0 102.858 -178.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 61.56 25.51 15.41 Favored 'General case' 0 CA--C 1.589 2.461 0 CA-C-N 112.018 -2.356 . . . . 0.0 115.443 -169.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.82 -25.38 6.72 Favored Glycine 0 CA--C 1.532 1.13 0 N-CA-C 121.944 3.538 . . . . 0.0 121.944 -161.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -113.2 163.01 15.32 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 125.715 2.674 . . . . 0.0 111.342 -150.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.1 t -90.14 94.41 9.76 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 109.581 -3.463 . . . . 0.0 112.742 -159.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -100.54 149.81 23.33 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 112.362 -2.199 . . . . 0.0 111.303 -163.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 36.7 ptt180 -85.16 55.75 3.64 Favored 'General case' 0 CA--C 1.559 1.321 0 CA-C-N 112.746 -2.025 . . . . 0.0 114.65 -178.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 . . . . . 0 CA--C 1.572 1.794 0 CA-C-N 113.872 -1.513 . . . . 0.0 110.324 170.773 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.554 2.5 0 N-CA-C 117.01 1.564 . . . . 0.0 117.01 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.466 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 44.2 t -107.38 11.44 29.01 Favored 'General case' 0 CA--C 1.566 1.59 0 N-CA-C 115.504 1.668 . . . . 0.0 115.504 174.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.8 t -50.13 -22.86 1.84 Allowed 'General case' 0 CA--C 1.577 2.017 0 N-CA-C 116.567 2.062 . . . . 0.0 116.567 147.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.2 p -110.55 28.74 8.37 Favored 'General case' 0 CA--C 1.557 1.218 0 N-CA-C 116.327 1.973 . . . . 0.0 116.327 165.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.435 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . -69.29 156.58 38.54 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-O 123.873 1.797 . . . . 0.0 111.306 146.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 99.6 p -88.17 -37.1 16.44 Favored 'General case' 0 CA--C 1.557 1.236 0 N-CA-C 118.069 2.618 . . . . 0.0 118.069 -176.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 10.4 p -52.86 -23.79 7.75 Favored 'General case' 0 N--CA 1.506 2.338 0 N-CA-C 118.067 2.618 . . . . 0.0 118.067 156.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.3 m -72.12 -25.66 61.82 Favored 'General case' 0 CA--C 1.554 1.131 0 N-CA-C 118.309 2.707 . . . . 0.0 118.309 167.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 46.8 mm-40 -76.64 -34.31 58.3 Favored 'General case' 0 CA--C 1.563 1.452 0 N-CA-C 118.14 2.644 . . . . 0.0 118.14 173.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.0 tpp180 . . . . . 0 N--CA 1.478 0.945 0 CA-C-O 123.565 1.65 . . . . 0.0 107.832 -157.04 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.2 t . . . . . 0 N--CA 1.473 0.709 0 N-CA-C 114.906 1.447 . . . . 0.0 114.906 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 12.0 m -99.5 94.89 6.65 Favored 'General case' 0 C--N 1.353 0.722 0 N-CA-C 105.088 -2.19 . . . . 0.0 105.088 166.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.5 tp -106.83 131.44 53.93 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 103.528 -2.767 . . . . 0.0 103.528 175.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 64.74 23.04 12.68 Favored 'General case' 0 CA--C 1.587 2.377 0 CA-C-N 111.466 -2.606 . . . . 0.0 115.158 -171.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.71 -19.41 9.33 Favored Glycine 0 CA--C 1.537 1.417 0 N-CA-C 121.853 3.501 . . . . 0.0 121.853 -157.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -117.34 154.43 31.28 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 125.811 2.719 . . . . 0.0 110.233 -152.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.5 t -85.65 100.73 12.17 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 108.949 -3.751 . . . . 0.0 111.958 -158.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -104.84 148.28 26.82 Favored 'General case' 0 CA--C 1.551 1.019 0 CA-C-O 123.601 1.667 . . . . 0.0 110.256 -176.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 -90.41 61.19 4.91 Favored 'General case' 0 CA--C 1.558 1.253 0 CA-C-N 112.475 -2.148 . . . . 0.0 114.919 -164.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 . . . . . 0 CA--C 1.565 1.553 0 CA-C-N 114.47 -1.241 . . . . 0.0 111.64 169.989 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.556 2.62 0 N-CA-C 117.789 1.875 . . . . 0.0 117.789 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.506 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 37.9 t -100.61 11.0 40.43 Favored 'General case' 0 CA--C 1.57 1.728 0 N-CA-C 115.797 1.777 . . . . 0.0 115.797 172.503 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.0 t -49.85 -20.03 0.79 Allowed 'General case' 0 CA--C 1.575 1.94 0 N-CA-C 116.648 2.092 . . . . 0.0 116.648 146.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.1 p -112.23 29.0 8.27 Favored 'General case' 0 CA--C 1.558 1.282 0 N-CA-C 116.515 2.043 . . . . 0.0 116.515 163.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.418 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . -70.91 157.77 37.6 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-O 123.889 1.804 . . . . 0.0 111.186 145.186 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.2 p -89.05 -36.73 15.61 Favored 'General case' 0 CA--C 1.555 1.171 0 N-CA-C 118.133 2.642 . . . . 0.0 118.133 -176.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.7 p -53.42 -23.24 9.32 Favored 'General case' 0 N--CA 1.506 2.348 0 N-CA-C 118.191 2.663 . . . . 0.0 118.191 156.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 25.5 m -72.49 -26.45 61.79 Favored 'General case' 0 CA--C 1.557 1.232 0 N-CA-C 117.597 2.443 . . . . 0.0 117.597 168.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 51.5 mm-40 -74.91 -34.73 62.19 Favored 'General case' 0 CA--C 1.564 1.487 0 N-CA-C 118.317 2.71 . . . . 0.0 118.317 173.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 . . . . . 0 N--CA 1.479 0.993 0 CA-C-O 123.542 1.639 . . . . 0.0 107.447 -156.982 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.1 t . . . . . 0 N--CA 1.474 0.755 0 N-CA-C 114.986 1.476 . . . . 0.0 114.986 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 13.0 m -99.81 94.93 6.58 Favored 'General case' 0 C--N 1.353 0.74 0 N-CA-C 104.99 -2.226 . . . . 0.0 104.99 165.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.5 tp -106.62 131.6 53.58 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 103.508 -2.775 . . . . 0.0 103.508 175.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 64.68 23.44 12.78 Favored 'General case' 0 CA--C 1.586 2.351 0 CA-C-N 111.445 -2.616 . . . . 0.0 115.135 -171.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.37 -19.33 8.67 Favored Glycine 0 CA--C 1.535 1.323 0 N-CA-C 121.88 3.512 . . . . 0.0 121.88 -157.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -118.82 154.86 32.18 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 125.843 2.735 . . . . 0.0 110.092 -151.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.5 t -86.05 100.99 12.55 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 108.992 -3.731 . . . . 0.0 111.916 -156.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -103.69 143.55 32.63 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 113.553 -1.658 . . . . 0.0 109.622 -177.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.1 ppt_? -89.53 61.85 5.7 Favored 'General case' 0 CA--C 1.563 1.48 0 CA-C-N 113.451 -1.704 . . . . 0.0 114.203 -168.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 . . . . . 0 CA--C 1.566 1.576 0 CA-C-N 114.462 -1.245 . . . . 0.0 111.958 165.293 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.556 2.624 0 N-CA-C 117.787 1.875 . . . . 0.0 117.787 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.498 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 37.5 t -100.97 11.49 39.52 Favored 'General case' 0 CA--C 1.571 1.766 0 N-CA-C 115.718 1.747 . . . . 0.0 115.718 172.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.0 p -49.07 -19.53 0.43 Allowed 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 117.286 2.328 . . . . 0.0 117.286 145.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.2 p -113.49 29.66 7.82 Favored 'General case' 0 CA--C 1.558 1.276 0 N-CA-C 116.321 1.971 . . . . 0.0 116.321 163.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.427 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . -71.22 157.54 37.96 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-O 124.007 1.86 . . . . 0.0 111.109 144.585 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.6 p -88.88 -37.0 15.65 Favored 'General case' 0 CA--C 1.555 1.146 0 N-CA-C 118.009 2.596 . . . . 0.0 118.009 -175.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.7 p -53.12 -23.69 8.65 Favored 'General case' 0 N--CA 1.507 2.387 0 N-CA-C 118.22 2.674 . . . . 0.0 118.22 156.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 23.4 m -73.03 -28.63 62.46 Favored 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 117.995 2.591 . . . . 0.0 117.995 169.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 55.2 mm-40 -63.98 -30.64 71.7 Favored 'General case' 0 CA--C 1.568 1.668 0 N-CA-C 116.862 2.171 . . . . 0.0 116.862 167.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.6 tpp85 . . . . . 0 CA--C 1.576 1.977 0 N-CA-C 117.913 2.56 . . . . 0.0 117.913 163.994 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.411 ' SG ' ' O ' ' A' ' 4' ' ' CYS . 7.8 t . . . . . 0 N--CA 1.477 0.889 0 N-CA-C 115.339 1.607 . . . . 0.0 115.339 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 10.2 m -102.54 96.07 6.66 Favored 'General case' 0 C--N 1.353 0.719 0 N-CA-C 105.26 -2.126 . . . . 0.0 105.26 161.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.6 tp -108.72 131.27 55.09 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 103.457 -2.794 . . . . 0.0 103.457 174.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 64.13 23.94 13.32 Favored 'General case' 0 CA--C 1.588 2.405 0 CA-C-N 111.648 -2.524 . . . . 0.0 115.068 -171.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.82 -19.61 7.32 Favored Glycine 0 CA--C 1.538 1.502 0 N-CA-C 122.034 3.573 . . . . 0.0 122.034 -157.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -117.89 156.93 27.58 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-O 125.815 2.721 . . . . 0.0 110.638 -152.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.5 t -85.64 104.47 15.41 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 109.13 -3.668 . . . . 0.0 113.048 -154.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -91.97 147.65 22.8 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 113.009 -1.905 . . . . 0.0 110.63 -173.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.39 59.0 3.76 Favored 'General case' 0 CA--C 1.563 1.454 0 CA-C-N 113.292 -1.776 . . . . 0.0 114.648 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 . . . . . 0 CA--C 1.57 1.722 0 C-N-CA 124.668 1.187 . . . . 0.0 111.761 168.486 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.556 2.596 0 N-CA-C 117.852 1.901 . . . . 0.0 117.852 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.504 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 38.3 t -100.68 11.12 40.19 Favored 'General case' 0 CA--C 1.571 1.765 0 N-CA-C 115.772 1.767 . . . . 0.0 115.772 172.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.0 p -49.33 -18.67 0.4 Allowed 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 117.295 2.331 . . . . 0.0 117.295 146.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.0 p -114.64 30.0 7.63 Favored 'General case' 0 CA--C 1.559 1.291 0 N-CA-C 116.317 1.969 . . . . 0.0 116.317 163.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.412 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . -71.04 157.31 38.43 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-O 123.927 1.822 . . . . 0.0 111.035 144.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.2 p -89.25 -36.58 15.52 Favored 'General case' 0 CA--C 1.554 1.128 0 N-CA-C 118.18 2.659 . . . . 0.0 118.18 -176.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 16.6 p -53.28 -23.75 9.79 Favored 'General case' 0 N--CA 1.505 2.282 0 N-CA-C 118.186 2.661 . . . . 0.0 118.186 156.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 24.8 m -71.94 -25.32 61.84 Favored 'General case' 0 CA--C 1.557 1.235 0 N-CA-C 117.687 2.477 . . . . 0.0 117.687 168.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 51.8 mm-40 -75.55 -36.72 60.37 Favored 'General case' 0 CA--C 1.563 1.446 0 N-CA-C 118.01 2.596 . . . . 0.0 118.01 173.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 . . . . . 0 N--CA 1.496 1.857 0 CA-C-N 118.848 0.749 . . . . 0.0 110.282 -164.632 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.425 ' SG ' ' O ' ' A' ' 4' ' ' CYS . 8.5 t . . . . . 0 N--CA 1.474 0.751 0 N-CA-C 115.111 1.523 . . . . 0.0 115.111 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 13.3 m -96.79 91.06 5.49 Favored 'General case' 0 C--N 1.354 0.797 0 N-CA-C 105.17 -2.159 . . . . 0.0 105.17 162.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 21.6 tp -104.76 134.11 48.45 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 102.868 -3.012 . . . . 0.0 102.868 175.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 63.81 21.53 12.69 Favored 'General case' 0 CA--C 1.589 2.458 0 CA-C-N 112.511 -2.131 . . . . 0.0 115.455 -171.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.9 -23.7 6.6 Favored Glycine 0 CA--C 1.528 0.892 0 N-CA-C 122.011 3.564 . . . . 0.0 122.011 -158.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -117.6 167.51 11.26 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 126.015 2.817 . . . . 0.0 110.05 -150.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.0 t -93.83 91.3 6.89 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 109.808 -3.36 . . . . 0.0 111.262 -160.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.74 145.46 25.18 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 112.78 -2.009 . . . . 0.0 109.334 171.62 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -93.08 65.92 4.05 Favored 'General case' 0 CA--C 1.56 1.357 0 CA-C-N 113.185 -1.825 . . . . 0.0 111.787 -177.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 . . . . . 0 CA--C 1.571 1.785 0 CA-C-N 113.928 -1.487 . . . . 0.0 110.794 163.279 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.554 2.525 0 N-CA-C 117.089 1.596 . . . . 0.0 117.089 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.489 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 38.8 t -109.84 12.75 23.82 Favored 'General case' 0 CA--C 1.569 1.676 0 C-N-CA 126.035 1.734 . . . . 0.0 115.27 173.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 68.8 m -51.78 -18.63 1.32 Allowed 'General case' 0 N--CA 1.499 1.975 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 147.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.1 p -112.4 29.17 8.14 Favored 'General case' 0 CA--C 1.558 1.266 0 N-CA-C 116.399 2.0 . . . . 0.0 116.399 163.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.424 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . -70.8 157.12 38.62 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-O 123.927 1.822 . . . . 0.0 111.227 145.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 99.0 p -88.66 -36.83 16.02 Favored 'General case' 0 CA--C 1.555 1.161 0 N-CA-C 118.164 2.653 . . . . 0.0 118.164 -176.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.8 p -53.39 -22.98 8.49 Favored 'General case' 0 N--CA 1.505 2.302 0 N-CA-C 118.044 2.609 . . . . 0.0 118.044 156.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.2 m -72.61 -26.34 61.64 Favored 'General case' 0 CA--C 1.555 1.167 0 N-CA-C 117.938 2.57 . . . . 0.0 117.938 168.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -74.66 -36.6 62.83 Favored 'General case' 0 CA--C 1.56 1.359 0 N-CA-C 117.835 2.531 . . . . 0.0 117.835 173.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 59.1 ttm-85 . . . . . 0 N--CA 1.482 1.126 0 N-CA-C 107.069 -1.456 . . . . 0.0 107.069 -161.388 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 8.4 t . . . . . 0 N--CA 1.475 0.779 0 N-CA-C 114.891 1.441 . . . . 0.0 114.891 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 15.0 m -98.05 91.39 5.27 Favored 'General case' 0 C--N 1.355 0.838 0 N-CA-C 105.487 -2.042 . . . . 0.0 105.487 165.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.6 tp -104.33 128.4 52.13 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 103.868 -2.641 . . . . 0.0 103.868 176.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 63.99 24.91 13.74 Favored 'General case' 0 CA--C 1.586 2.327 0 CA-C-N 111.607 -2.542 . . . . 0.0 115.283 -170.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.77 -20.73 7.37 Favored Glycine 0 CA--C 1.538 1.489 0 N-CA-C 121.942 3.537 . . . . 0.0 121.942 -157.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -119.98 158.53 26.55 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-O 125.619 2.628 . . . . 0.0 110.142 -152.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.9 t -86.73 100.47 12.51 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 109.504 -3.498 . . . . 0.0 113.408 -151.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.78 146.71 30.84 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 112.173 -2.285 . . . . 0.0 110.921 178.555 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 -100.18 61.62 1.08 Allowed 'General case' 0 CA--C 1.561 1.368 0 CA-C-N 113.46 -1.7 . . . . 0.0 112.239 -177.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 . . . . . 0 CA--C 1.568 1.638 0 C-N-CA 125.487 1.515 . . . . 0.0 111.377 172.366 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.555 2.556 0 N-CA-C 117.897 1.919 . . . . 0.0 117.897 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.507 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 41.7 t -103.76 11.14 36.2 Favored 'General case' 0 CA--C 1.571 1.78 0 N-CA-C 115.609 1.707 . . . . 0.0 115.609 172.343 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.3 m -51.29 -17.05 0.62 Allowed 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 116.657 2.095 . . . . 0.0 116.657 148.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 51.9 p -116.22 31.3 6.81 Favored 'General case' 0 CA--C 1.559 1.297 0 N-CA-C 116.124 1.898 . . . . 0.0 116.124 162.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.422 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . -71.24 156.8 39.13 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-O 123.995 1.855 . . . . 0.0 111.001 143.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.3 p -89.11 -36.63 15.62 Favored 'General case' 0 CA--C 1.554 1.126 0 N-CA-C 118.094 2.628 . . . . 0.0 118.094 -176.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.1 p -52.71 -24.18 8.15 Favored 'General case' 0 N--CA 1.504 2.274 0 N-CA-C 118.365 2.728 . . . . 0.0 118.365 156.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 23.2 m -72.06 -26.4 62.16 Favored 'General case' 0 CA--C 1.555 1.173 0 N-CA-C 117.736 2.495 . . . . 0.0 117.736 168.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -74.17 -36.88 64.1 Favored 'General case' 0 CA--C 1.56 1.356 0 N-CA-C 117.861 2.541 . . . . 0.0 117.861 172.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 . . . . . 0 N--CA 1.481 1.109 0 N-CA-C 107.011 -1.478 . . . . 0.0 107.011 -161.561 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 8.5 t . . . . . 0 N--CA 1.474 0.773 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 14.7 m -97.69 91.7 5.52 Favored 'General case' 0 C--N 1.354 0.799 0 N-CA-C 105.448 -2.056 . . . . 0.0 105.448 165.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 20.2 tp -104.68 128.08 52.63 Favored 'General case' 0 N--CA 1.443 -0.802 0 N-CA-C 103.863 -2.643 . . . . 0.0 103.863 177.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 63.95 25.04 13.82 Favored 'General case' 0 CA--C 1.586 2.343 0 CA-C-N 111.524 -2.58 . . . . 0.0 115.242 -170.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.86 -20.96 7.12 Favored Glycine 0 CA--C 1.538 1.501 0 N-CA-C 121.949 3.54 . . . . 0.0 121.949 -157.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -119.34 158.51 25.97 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 125.653 2.644 . . . . 0.0 110.222 -152.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.9 t -86.63 103.21 14.89 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 109.451 -3.522 . . . . 0.0 113.214 -152.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.1 147.24 28.22 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 112.274 -2.239 . . . . 0.0 110.894 -179.562 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.3 ppt_? -94.51 58.73 2.42 Favored 'General case' 0 CA--C 1.563 1.455 0 CA-C-N 113.207 -1.815 . . . . 0.0 114.278 178.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 . . . . . 0 CA--C 1.57 1.737 0 C-N-CA 124.936 1.294 . . . . 0.0 111.898 171.929 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.556 2.597 0 N-CA-C 117.873 1.909 . . . . 0.0 117.873 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 41.7 t -102.33 11.14 38.55 Favored 'General case' 0 CA--C 1.57 1.741 0 N-CA-C 115.655 1.724 . . . . 0.0 115.655 172.505 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.1 m -50.95 -17.32 0.56 Allowed 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 116.679 2.103 . . . . 0.0 116.679 147.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 51.9 p -116.34 31.25 6.84 Favored 'General case' 0 CA--C 1.558 1.269 0 N-CA-C 116.155 1.909 . . . . 0.0 116.155 162.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.419 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . -71.22 156.78 39.15 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-O 123.927 1.822 . . . . 0.0 111.044 143.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.3 p -89.15 -36.46 15.68 Favored 'General case' 0 CA--C 1.555 1.155 0 N-CA-C 118.183 2.66 . . . . 0.0 118.183 -176.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.5 p -52.97 -24.01 8.49 Favored 'General case' 0 N--CA 1.505 2.324 0 N-CA-C 118.304 2.705 . . . . 0.0 118.304 156.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 23.2 m -71.94 -26.51 62.32 Favored 'General case' 0 CA--C 1.556 1.19 0 N-CA-C 117.645 2.461 . . . . 0.0 117.645 168.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 49.1 mm-40 -74.62 -36.54 62.94 Favored 'General case' 0 CA--C 1.561 1.373 0 N-CA-C 117.979 2.585 . . . . 0.0 117.979 172.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 33.4 ttp-105 . . . . . 0 N--CA 1.481 1.116 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 -160.872 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.2 t . . . . . 0 N--CA 1.473 0.688 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 13.7 m -99.4 94.63 6.53 Favored 'General case' 0 C--N 1.353 0.738 0 N-CA-C 105.236 -2.135 . . . . 0.0 105.236 166.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.7 tp -106.77 131.48 53.84 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 103.45 -2.796 . . . . 0.0 103.45 175.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 64.5 24.35 13.08 Favored 'General case' 0 CA--C 1.587 2.375 0 CA-C-N 111.46 -2.609 . . . . 0.0 115.03 -170.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.79 -18.46 9.06 Favored Glycine 0 CA--C 1.537 1.429 0 N-CA-C 121.768 3.467 . . . . 0.0 121.768 -157.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -119.36 157.18 28.68 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 126.189 2.9 . . . . 0.0 110.9 -151.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.8 t -86.61 97.34 10.48 Favored 'General case' 0 C--N 1.321 -0.663 1 CA-C-N 108.149 -4.114 . . . . 0.0 111.866 -156.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -104.49 139.56 39.23 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 113.246 -1.797 . . . . 0.0 109.435 -178.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -93.5 67.6 4.01 Favored 'General case' 0 CA--C 1.559 1.292 0 CA-C-N 113.726 -1.579 . . . . 0.0 112.607 -165.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 . . . . . 0 CA--C 1.566 1.568 0 CA-C-N 113.639 -1.619 . . . . 0.0 111.658 162.838 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.556 2.645 0 N-CA-C 117.911 1.924 . . . . 0.0 117.911 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.51 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 38.8 t -101.12 11.73 38.95 Favored 'General case' 0 CA--C 1.571 1.781 0 N-CA-C 115.745 1.757 . . . . 0.0 115.745 172.48 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.3 p -49.29 -19.15 0.45 Allowed 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 117.255 2.317 . . . . 0.0 117.255 145.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.2 p -112.91 29.06 8.27 Favored 'General case' 0 CA--C 1.558 1.269 0 N-CA-C 116.406 2.002 . . . . 0.0 116.406 163.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.441 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . -71.06 157.69 37.76 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-O 123.964 1.84 . . . . 0.0 111.154 145.293 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.2 p -88.79 -36.71 15.92 Favored 'General case' 0 CA--C 1.554 1.131 0 N-CA-C 118.13 2.641 . . . . 0.0 118.13 -176.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.3 p -52.95 -23.86 8.12 Favored 'General case' 0 N--CA 1.504 2.262 0 N-CA-C 118.197 2.666 . . . . 0.0 118.197 156.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 23.0 m -72.46 -25.09 61.31 Favored 'General case' 0 CA--C 1.557 1.222 0 N-CA-C 117.872 2.545 . . . . 0.0 117.872 168.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 53.1 mm-40 -75.54 -36.89 60.38 Favored 'General case' 0 CA--C 1.562 1.419 0 N-CA-C 117.892 2.553 . . . . 0.0 117.892 174.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 45.1 tpt85 . . . . . 0 CA--C 1.572 1.826 0 CA-C-N 118.906 0.776 . . . . 0.0 110.467 -164.63 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.3 t . . . . . 0 N--CA 1.473 0.723 0 CA-C-O 117.266 -1.35 . . . . 0.0 113.799 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 13.4 m -93.49 95.82 9.5 Favored 'General case' 0 C--N 1.358 0.955 0 N-CA-C 105.387 -2.079 . . . . 0.0 105.387 172.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 21.1 tp -107.69 128.78 54.87 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 103.323 -2.843 . . . . 0.0 103.323 178.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 63.73 24.48 13.86 Favored 'General case' 0 CA--C 1.584 2.269 0 CA-C-N 111.283 -2.689 . . . . 0.0 115.375 -170.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.37 -19.87 12.61 Favored Glycine 0 CA--C 1.538 1.497 0 N-CA-C 121.833 3.493 . . . . 0.0 121.833 -159.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -116.53 154.98 29.45 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-O 125.484 2.564 . . . . 0.0 111.207 -152.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.9 t -86.83 99.49 11.86 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 109.416 -3.538 . . . . 0.0 113.525 -154.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.6 mtt-85 -90.84 168.7 11.52 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 124.959 2.314 . . . . 0.0 111.611 -178.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.97 52.35 0.72 Allowed 'General case' 0 CA--C 1.558 1.281 0 CA-C-N 109.94 -3.3 . . . . 0.0 115.103 -169.043 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 . . . . . 0 CA--C 1.567 1.629 0 C-N-CA 124.668 1.187 . . . . 0.0 111.662 174.391 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.556 2.628 0 N-CA-C 117.973 1.949 . . . . 0.0 117.973 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.491 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 40.3 t -98.84 9.01 44.35 Favored 'General case' 0 CA--C 1.57 1.734 0 N-CA-C 115.913 1.819 . . . . 0.0 115.913 173.016 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.6 p -49.2 -20.8 0.66 Allowed 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 117.238 2.31 . . . . 0.0 117.238 146.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.2 p -113.17 30.19 7.39 Favored 'General case' 0 CA--C 1.558 1.275 0 N-CA-C 116.162 1.912 . . . . 0.0 116.162 163.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.65 156.53 39.34 Favored 'General case' 0 CA--C 1.548 0.865 0 CA-C-O 123.979 1.847 . . . . 0.0 110.92 144.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.2 p -88.51 -36.31 16.49 Favored 'General case' 0 CA--C 1.556 1.189 0 N-CA-C 118.137 2.643 . . . . 0.0 118.137 -176.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.1 p -52.35 -25.01 8.6 Favored 'General case' 0 N--CA 1.504 2.258 0 N-CA-C 118.254 2.687 . . . . 0.0 118.254 156.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 22.4 m -72.13 -25.85 61.89 Favored 'General case' 0 CA--C 1.555 1.156 0 N-CA-C 117.987 2.588 . . . . 0.0 117.987 169.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -74.63 -36.67 62.91 Favored 'General case' 0 CA--C 1.56 1.353 0 N-CA-C 117.75 2.5 . . . . 0.0 117.75 172.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.3 tpp180 . . . . . 0 N--CA 1.48 1.042 0 N-CA-C 107.397 -1.334 . . . . 0.0 107.397 -161.432 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.711 ' SG ' ' CB ' ' A' ' 19' ' ' ALA . 5.4 t . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 117.912 -1.042 . . . . 0.0 113.79 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 22.9 m -103.67 100.19 10.01 Favored 'General case' 0 C--N 1.351 0.661 0 N-CA-C 105.171 -2.159 . . . . 0.0 105.171 171.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 20.5 tp -103.8 131.7 50.75 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 104.001 -2.592 . . . . 0.0 104.001 175.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 65.33 21.96 12.0 Favored 'General case' 0 CA--C 1.582 2.2 0 CA-C-N 111.314 -2.675 . . . . 0.0 115.468 -171.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.37 -15.41 34.86 Favored Glycine 0 CA--C 1.535 1.331 0 N-CA-C 121.501 3.361 . . . . 0.0 121.501 -157.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -123.24 157.66 32.61 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 126.287 2.946 . . . . 0.0 110.477 -151.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.1 t -89.21 102.24 14.9 Favored 'General case' 0 C--N 1.318 -0.77 1 CA-C-N 108.191 -4.095 . . . . 0.0 111.834 -154.747 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -113.1 149.01 34.11 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-O 123.599 1.666 . . . . 0.0 110.114 -175.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.87 58.79 3.93 Favored 'General case' 0 CA--C 1.558 1.275 0 CA-C-N 112.638 -2.073 . . . . 0.0 115.879 -163.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 . . . . . 0 CA--C 1.567 1.609 0 CA-C-N 114.45 -1.25 . . . . 0.0 111.471 164.044 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.559 2.838 0 N-CA-C 118.801 2.28 . . . . 0.0 118.801 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.442 ' O ' ' SG ' ' A' ' 22' ' ' CYS . 23.2 t -95.48 -2.32 48.98 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 126.352 1.861 . . . . 0.0 115.575 171.634 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.8 t -56.11 -29.01 60.02 Favored 'General case' 0 CA--C 1.573 1.834 0 N-CA-C 116.072 1.879 . . . . 0.0 116.072 153.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 59.7 p -87.8 7.32 31.01 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 118.076 2.621 . . . . 0.0 118.076 165.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.711 ' CB ' ' SG ' ' A' ' 4' ' ' CYS . . . -68.48 163.93 22.28 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 123.882 1.801 . . . . 0.0 112.938 156.061 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.4 p -87.57 -36.95 17.25 Favored 'General case' 0 CA--C 1.552 1.044 0 N-CA-C 118.159 2.652 . . . . 0.0 118.159 -172.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.0 p -52.72 -25.13 10.17 Favored 'General case' 0 N--CA 1.507 2.395 0 N-CA-C 118.362 2.727 . . . . 0.0 118.362 158.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.442 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 18.0 m -73.12 -26.47 61.24 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 118.369 2.729 . . . . 0.0 118.369 169.706 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 57.9 mm-40 -68.04 -44.49 76.33 Favored 'General case' 0 CA--C 1.564 1.51 0 N-CA-C 115.566 1.691 . . . . 0.0 115.566 173.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.5 ttp-105 . . . . . 0 N--CA 1.506 2.352 0 CA-C-N 120.012 1.278 . . . . 0.0 114.228 161.118 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . 0.251 34.1 p80 . . . . . 0 N--CA 1.481 1.115 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.9 t -76.3 -32.84 58.98 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-O 117.23 -1.367 . . . . 0.0 114.638 177.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 13.3 m -98.36 95.56 7.43 Favored 'General case' 0 C--N 1.355 0.827 0 N-CA-C 105.113 -2.181 . . . . 0.0 105.113 168.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.9 tp -108.04 132.07 53.93 Favored 'General case' 0 N--CA 1.442 -0.868 0 N-CA-C 103.065 -2.939 . . . . 0.0 103.065 175.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 65.03 23.56 12.51 Favored 'General case' 0 CA--C 1.589 2.446 0 CA-C-N 111.567 -2.56 . . . . 0.0 114.957 -171.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.84 -17.81 10.51 Favored Glycine 0 CA--C 1.537 1.456 0 N-CA-C 121.886 3.515 . . . . 0.0 121.886 -157.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -121.34 158.24 28.67 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 126.048 2.832 . . . . 0.0 111.343 -151.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.2 t -88.89 96.79 10.84 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 108.416 -3.993 . . . . 0.0 112.51 -154.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -99.44 149.31 23.32 Favored 'General case' 0 CA--C 1.55 0.958 0 CA-C-N 113.017 -1.902 . . . . 0.0 110.6 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.19 60.94 3.29 Favored 'General case' 0 CA--C 1.558 1.25 0 CA-C-N 111.977 -2.374 . . . . 0.0 114.481 -165.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -85.37 163.43 18.55 Favored 'General case' 0 CA--C 1.565 1.551 0 CA-C-N 114.439 -1.255 . . . . 0.0 111.609 169.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.28 19.96 21.82 Favored Glycine 0 CA--C 1.556 2.642 0 N-CA-C 117.93 1.932 . . . . 0.0 117.93 -176.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.503 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 39.2 t -99.71 10.64 40.99 Favored 'General case' 0 CA--C 1.571 1.77 0 N-CA-C 115.811 1.782 . . . . 0.0 115.811 172.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.2 p -48.97 -20.15 0.48 Allowed 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 117.261 2.319 . . . . 0.0 117.261 146.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.3 p -113.24 30.29 7.31 Favored 'General case' 0 CA--C 1.558 1.27 0 N-CA-C 116.226 1.936 . . . . 0.0 116.226 163.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.425 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . -71.57 157.03 38.72 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-O 123.991 1.853 . . . . 0.0 111.023 144.324 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.1 p -88.33 -36.78 16.43 Favored 'General case' 0 CA--C 1.554 1.123 0 N-CA-C 118.097 2.629 . . . . 0.0 118.097 -176.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.2 p -52.77 -23.86 7.68 Favored 'General case' 0 N--CA 1.505 2.29 0 N-CA-C 118.339 2.718 . . . . 0.0 118.339 156.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.8 m -72.91 -28.04 62.23 Favored 'General case' 0 CA--C 1.553 1.061 0 N-CA-C 118.094 2.627 . . . . 0.0 118.094 169.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -65.42 -47.33 76.64 Favored 'General case' 0 CA--C 1.558 1.286 0 C-N-CA 126.458 1.903 . . . . 0.0 115.231 170.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.283 70.2 ttp85 67.41 -22.26 0.12 Allowed 'General case' 0 CA--C 1.57 1.746 0 N-CA-C 118.338 2.718 . . . . 0.0 118.338 164.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 O-C-N 116.634 -3.791 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . 0.25 32.7 p80 . . . . . 0 N--CA 1.482 1.137 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.5 t -78.25 -30.54 48.69 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 178.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 14.2 m -96.73 90.56 5.33 Favored 'General case' 0 C--N 1.355 0.81 0 N-CA-C 105.25 -2.13 . . . . 0.0 105.25 166.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.1 tp -104.25 129.75 52.06 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 103.697 -2.705 . . . . 0.0 103.697 177.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 64.25 24.71 13.41 Favored 'General case' 0 CA--C 1.586 2.355 0 CA-C-N 111.38 -2.645 . . . . 0.0 115.072 -170.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.3 -21.15 6.26 Favored Glycine 0 CA--C 1.536 1.353 0 N-CA-C 121.833 3.493 . . . . 0.0 121.833 -157.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -118.01 155.4 30.36 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 125.885 2.755 . . . . 0.0 109.971 -151.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.3 t -86.06 100.43 12.16 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 108.906 -3.77 . . . . 0.0 111.775 -157.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.9 ptp180 -103.58 143.16 33.11 Favored 'General case' 0 CA--C 1.552 1.023 0 CA-C-N 113.582 -1.644 . . . . 0.0 109.931 -177.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.37 62.37 6.61 Favored 'General case' 0 CA--C 1.561 1.385 0 CA-C-N 113.479 -1.691 . . . . 0.0 114.327 -168.102 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -81.41 163.21 22.97 Favored 'General case' 0 CA--C 1.567 1.616 0 CA-C-N 114.202 -1.363 . . . . 0.0 111.825 165.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.88 21.22 16.51 Favored Glycine 0 CA--C 1.556 2.631 0 N-CA-C 117.787 1.875 . . . . 0.0 117.787 -175.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.51 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 37.8 t -100.61 10.71 40.81 Favored 'General case' 0 CA--C 1.571 1.759 0 N-CA-C 115.742 1.756 . . . . 0.0 115.742 172.498 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.0 p -49.0 -19.67 0.43 Allowed 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 117.304 2.335 . . . . 0.0 117.304 146.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.2 p -113.81 29.58 7.9 Favored 'General case' 0 CA--C 1.558 1.28 0 N-CA-C 116.34 1.978 . . . . 0.0 116.34 163.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.416 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . -70.88 157.44 38.13 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-O 123.9 1.81 . . . . 0.0 111.181 144.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.8 p -88.71 -37.34 15.59 Favored 'General case' 0 CA--C 1.556 1.18 0 N-CA-C 118.004 2.594 . . . . 0.0 118.004 -176.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.2 p -53.13 -23.43 8.07 Favored 'General case' 0 N--CA 1.506 2.366 0 N-CA-C 118.259 2.688 . . . . 0.0 118.259 156.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 23.3 m -73.0 -28.88 62.63 Favored 'General case' 0 CA--C 1.553 1.094 0 N-CA-C 118.009 2.596 . . . . 0.0 118.009 168.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 54.8 mm-40 -63.87 -30.61 71.68 Favored 'General case' 0 CA--C 1.568 1.672 0 N-CA-C 116.886 2.18 . . . . 0.0 116.886 167.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.7 tpp85 -49.48 -26.83 3.67 Favored 'General case' 0 CA--C 1.575 1.931 0 N-CA-C 117.935 2.569 . . . . 0.0 117.935 164.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.004 0 O-C-N 116.514 -3.866 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 32.7 p80 . . . . . 0 N--CA 1.481 1.087 0 N-CA-C 114.185 1.18 . . . . 0.0 114.185 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.407 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 7.8 t -81.56 -22.06 38.05 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 115.359 1.614 . . . . 0.0 115.359 179.307 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 10.7 m -102.6 96.03 6.62 Favored 'General case' 0 C--N 1.351 0.669 0 N-CA-C 105.233 -2.136 . . . . 0.0 105.233 161.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.6 tp -108.48 131.31 54.94 Favored 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 103.45 -2.796 . . . . 0.0 103.45 174.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 64.17 23.82 13.26 Favored 'General case' 0 CA--C 1.587 2.394 0 CA-C-N 111.649 -2.523 . . . . 0.0 115.063 -171.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.87 -19.67 7.32 Favored Glycine 0 CA--C 1.539 1.555 0 N-CA-C 122.019 3.568 . . . . 0.0 122.019 -157.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -117.7 156.79 27.63 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 125.763 2.697 . . . . 0.0 110.647 -152.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.6 t -85.76 104.14 15.18 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 109.186 -3.643 . . . . 0.0 112.996 -153.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -91.53 147.41 23.03 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-N 112.924 -1.944 . . . . 0.0 110.543 -173.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 39.8 mtm105 -93.17 62.93 3.58 Favored 'General case' 0 CA--C 1.563 1.454 0 CA-C-N 113.524 -1.671 . . . . 0.0 112.849 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -92.52 165.36 13.06 Favored 'General case' 0 CA--C 1.569 1.698 0 C-N-CA 124.733 1.213 . . . . 0.0 111.545 167.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 96.76 22.46 18.23 Favored Glycine 0 CA--C 1.555 2.589 0 N-CA-C 117.687 1.835 . . . . 0.0 117.687 -176.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.499 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 37.4 t -103.62 12.01 35.42 Favored 'General case' 0 CA--C 1.57 1.746 0 N-CA-C 115.588 1.699 . . . . 0.0 115.588 172.715 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.0 m -50.63 -18.9 0.77 Allowed 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 116.657 2.095 . . . . 0.0 116.657 147.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.2 p -114.0 30.42 7.28 Favored 'General case' 0 CA--C 1.559 1.3 0 N-CA-C 116.207 1.929 . . . . 0.0 116.207 163.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.418 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . -71.17 157.1 38.74 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-O 123.996 1.855 . . . . 0.0 111.018 144.194 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.4 p -89.0 -37.04 15.49 Favored 'General case' 0 CA--C 1.555 1.163 0 N-CA-C 118.003 2.594 . . . . 0.0 118.003 -175.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 16.9 p -52.97 -24.07 8.63 Favored 'General case' 0 N--CA 1.506 2.335 0 N-CA-C 118.26 2.689 . . . . 0.0 118.26 156.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 23.1 m -72.68 -28.29 62.61 Favored 'General case' 0 CA--C 1.553 1.081 0 N-CA-C 118.106 2.632 . . . . 0.0 118.106 168.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 55.2 mm-40 -64.15 -30.7 71.74 Favored 'General case' 0 CA--C 1.568 1.666 0 N-CA-C 116.861 2.171 . . . . 0.0 116.861 167.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.4 tpp180 -50.0 -27.0 4.81 Favored 'General case' 0 CA--C 1.576 1.979 0 N-CA-C 117.874 2.546 . . . . 0.0 117.874 164.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.027 0 O-C-N 116.525 -3.859 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 20.5 p80 . . . . . 0 N--CA 1.482 1.159 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.3 t -73.32 -36.73 66.26 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 116.765 -1.588 . . . . 0.0 114.389 177.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 11.9 m -88.0 87.83 7.46 Favored 'General case' 0 C--N 1.358 0.972 0 N-CA-C 106.283 -1.747 . . . . 0.0 106.283 167.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 30.1 tp -105.38 129.19 53.76 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 102.858 -3.016 . . . . 0.0 102.858 -178.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 61.56 25.51 15.41 Favored 'General case' 0 CA--C 1.589 2.461 0 CA-C-N 112.018 -2.356 . . . . 0.0 115.443 -169.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.82 -25.38 6.72 Favored Glycine 0 CA--C 1.532 1.13 0 N-CA-C 121.944 3.538 . . . . 0.0 121.944 -161.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -113.2 163.01 15.32 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 125.715 2.674 . . . . 0.0 111.342 -150.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.1 t -90.14 94.41 9.76 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 109.581 -3.463 . . . . 0.0 112.742 -159.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -100.54 149.81 23.33 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 112.362 -2.199 . . . . 0.0 111.303 -163.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 36.7 ptt180 -85.16 55.75 3.64 Favored 'General case' 0 CA--C 1.559 1.321 0 CA-C-N 112.746 -2.025 . . . . 0.0 114.65 -178.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -92.61 162.5 14.15 Favored 'General case' 0 CA--C 1.572 1.794 0 CA-C-N 113.872 -1.513 . . . . 0.0 110.324 170.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 91.84 27.91 15.41 Favored Glycine 0 CA--C 1.554 2.5 0 N-CA-C 117.01 1.564 . . . . 0.0 117.01 -176.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.466 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 44.2 t -107.38 11.44 29.01 Favored 'General case' 0 CA--C 1.566 1.59 0 N-CA-C 115.504 1.668 . . . . 0.0 115.504 174.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.8 t -50.13 -22.86 1.84 Allowed 'General case' 0 CA--C 1.577 2.017 0 N-CA-C 116.567 2.062 . . . . 0.0 116.567 147.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.2 p -110.55 28.74 8.37 Favored 'General case' 0 CA--C 1.557 1.218 0 N-CA-C 116.327 1.973 . . . . 0.0 116.327 165.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.435 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . -69.29 156.58 38.54 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-O 123.873 1.797 . . . . 0.0 111.306 146.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 99.6 p -88.17 -37.1 16.44 Favored 'General case' 0 CA--C 1.557 1.236 0 N-CA-C 118.069 2.618 . . . . 0.0 118.069 -176.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 10.4 p -52.86 -23.79 7.75 Favored 'General case' 0 N--CA 1.506 2.338 0 N-CA-C 118.067 2.618 . . . . 0.0 118.067 156.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.3 m -72.12 -25.66 61.82 Favored 'General case' 0 CA--C 1.554 1.131 0 N-CA-C 118.309 2.707 . . . . 0.0 118.309 167.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 46.8 mm-40 -76.64 -34.31 58.3 Favored 'General case' 0 CA--C 1.563 1.452 0 N-CA-C 118.14 2.644 . . . . 0.0 118.14 173.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.0 tpp180 -158.51 165.7 33.92 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-O 123.565 1.65 . . . . 0.0 107.832 -157.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.842 0 O-C-N 116.87 -3.644 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . 0.251 32.8 p80 . . . . . 0 N--CA 1.481 1.119 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.2 t -77.46 -29.84 52.96 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 114.906 1.447 . . . . 0.0 114.906 178.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 12.0 m -99.5 94.89 6.65 Favored 'General case' 0 C--N 1.353 0.722 0 N-CA-C 105.088 -2.19 . . . . 0.0 105.088 166.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.5 tp -106.83 131.44 53.93 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 103.528 -2.767 . . . . 0.0 103.528 175.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 64.74 23.04 12.68 Favored 'General case' 0 CA--C 1.587 2.377 0 CA-C-N 111.466 -2.606 . . . . 0.0 115.158 -171.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.71 -19.41 9.33 Favored Glycine 0 CA--C 1.537 1.417 0 N-CA-C 121.853 3.501 . . . . 0.0 121.853 -157.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -117.34 154.43 31.28 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 125.811 2.719 . . . . 0.0 110.233 -152.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.5 t -85.65 100.73 12.17 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 108.949 -3.751 . . . . 0.0 111.958 -158.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -104.84 148.28 26.82 Favored 'General case' 0 CA--C 1.551 1.019 0 CA-C-O 123.601 1.667 . . . . 0.0 110.256 -176.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 -90.41 61.19 4.91 Favored 'General case' 0 CA--C 1.558 1.253 0 CA-C-N 112.475 -2.148 . . . . 0.0 114.919 -164.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -86.96 163.05 17.32 Favored 'General case' 0 CA--C 1.565 1.553 0 CA-C-N 114.47 -1.241 . . . . 0.0 111.64 169.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.22 21.17 18.36 Favored Glycine 0 CA--C 1.556 2.62 0 N-CA-C 117.789 1.875 . . . . 0.0 117.789 -176.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.506 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 37.9 t -100.61 11.0 40.43 Favored 'General case' 0 CA--C 1.57 1.728 0 N-CA-C 115.797 1.777 . . . . 0.0 115.797 172.503 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.0 t -49.85 -20.03 0.79 Allowed 'General case' 0 CA--C 1.575 1.94 0 N-CA-C 116.648 2.092 . . . . 0.0 116.648 146.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.1 p -112.23 29.0 8.27 Favored 'General case' 0 CA--C 1.558 1.282 0 N-CA-C 116.515 2.043 . . . . 0.0 116.515 163.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.418 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . -70.91 157.77 37.6 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-O 123.889 1.804 . . . . 0.0 111.186 145.186 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.2 p -89.05 -36.73 15.61 Favored 'General case' 0 CA--C 1.555 1.171 0 N-CA-C 118.133 2.642 . . . . 0.0 118.133 -176.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.7 p -53.42 -23.24 9.32 Favored 'General case' 0 N--CA 1.506 2.348 0 N-CA-C 118.191 2.663 . . . . 0.0 118.191 156.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 25.5 m -72.49 -26.45 61.79 Favored 'General case' 0 CA--C 1.557 1.232 0 N-CA-C 117.597 2.443 . . . . 0.0 117.597 168.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 51.5 mm-40 -74.91 -34.73 62.19 Favored 'General case' 0 CA--C 1.564 1.487 0 N-CA-C 118.317 2.71 . . . . 0.0 118.317 173.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 -157.62 163.99 37.7 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-O 123.542 1.639 . . . . 0.0 107.447 -156.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.886 0 O-C-N 116.828 -3.67 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 32.4 p80 . . . . . 0 N--CA 1.481 1.101 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.1 t -77.92 -29.17 49.93 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 114.986 1.476 . . . . 0.0 114.986 178.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 13.0 m -99.81 94.93 6.58 Favored 'General case' 0 C--N 1.353 0.74 0 N-CA-C 104.99 -2.226 . . . . 0.0 104.99 165.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.5 tp -106.62 131.6 53.58 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 103.508 -2.775 . . . . 0.0 103.508 175.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 64.68 23.44 12.78 Favored 'General case' 0 CA--C 1.586 2.351 0 CA-C-N 111.445 -2.616 . . . . 0.0 115.135 -171.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.37 -19.33 8.67 Favored Glycine 0 CA--C 1.535 1.323 0 N-CA-C 121.88 3.512 . . . . 0.0 121.88 -157.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -118.82 154.86 32.18 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 125.843 2.735 . . . . 0.0 110.092 -151.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.5 t -86.05 100.99 12.55 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 108.992 -3.731 . . . . 0.0 111.916 -156.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -103.69 143.55 32.63 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 113.553 -1.658 . . . . 0.0 109.622 -177.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.1 ppt_? -89.53 61.85 5.7 Favored 'General case' 0 CA--C 1.563 1.48 0 CA-C-N 113.451 -1.704 . . . . 0.0 114.203 -168.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -80.4 162.96 24.2 Favored 'General case' 0 CA--C 1.566 1.576 0 CA-C-N 114.462 -1.245 . . . . 0.0 111.958 165.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.34 21.04 18.41 Favored Glycine 0 CA--C 1.556 2.624 0 N-CA-C 117.787 1.875 . . . . 0.0 117.787 -176.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.498 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 37.5 t -100.97 11.49 39.52 Favored 'General case' 0 CA--C 1.571 1.766 0 N-CA-C 115.718 1.747 . . . . 0.0 115.718 172.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.0 p -49.07 -19.53 0.43 Allowed 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 117.286 2.328 . . . . 0.0 117.286 145.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.2 p -113.49 29.66 7.82 Favored 'General case' 0 CA--C 1.558 1.276 0 N-CA-C 116.321 1.971 . . . . 0.0 116.321 163.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.427 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . -71.22 157.54 37.96 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-O 124.007 1.86 . . . . 0.0 111.109 144.585 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.6 p -88.88 -37.0 15.65 Favored 'General case' 0 CA--C 1.555 1.146 0 N-CA-C 118.009 2.596 . . . . 0.0 118.009 -175.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.7 p -53.12 -23.69 8.65 Favored 'General case' 0 N--CA 1.507 2.387 0 N-CA-C 118.22 2.674 . . . . 0.0 118.22 156.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 23.4 m -73.03 -28.63 62.46 Favored 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 117.995 2.591 . . . . 0.0 117.995 169.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 55.2 mm-40 -63.98 -30.64 71.7 Favored 'General case' 0 CA--C 1.568 1.668 0 N-CA-C 116.862 2.171 . . . . 0.0 116.862 167.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.6 tpp85 -49.5 -26.84 3.71 Favored 'General case' 0 CA--C 1.576 1.977 0 N-CA-C 117.913 2.56 . . . . 0.0 117.913 163.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.004 0 O-C-N 116.536 -3.853 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 33.0 p80 . . . . . 0 N--CA 1.481 1.118 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.411 ' SG ' ' O ' ' A' ' 4' ' ' CYS . 7.8 t -81.22 -22.34 38.87 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 115.339 1.607 . . . . 0.0 115.339 179.121 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 10.2 m -102.54 96.07 6.66 Favored 'General case' 0 C--N 1.353 0.719 0 N-CA-C 105.26 -2.126 . . . . 0.0 105.26 161.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.6 tp -108.72 131.27 55.09 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 103.457 -2.794 . . . . 0.0 103.457 174.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 64.13 23.94 13.32 Favored 'General case' 0 CA--C 1.588 2.405 0 CA-C-N 111.648 -2.524 . . . . 0.0 115.068 -171.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.82 -19.61 7.32 Favored Glycine 0 CA--C 1.538 1.502 0 N-CA-C 122.034 3.573 . . . . 0.0 122.034 -157.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -117.89 156.93 27.58 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-O 125.815 2.721 . . . . 0.0 110.638 -152.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.5 t -85.64 104.47 15.41 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 109.13 -3.668 . . . . 0.0 113.048 -154.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -91.97 147.65 22.8 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 113.009 -1.905 . . . . 0.0 110.63 -173.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.39 59.0 3.76 Favored 'General case' 0 CA--C 1.563 1.454 0 CA-C-N 113.292 -1.776 . . . . 0.0 114.648 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -91.46 165.07 13.57 Favored 'General case' 0 CA--C 1.57 1.722 0 C-N-CA 124.668 1.187 . . . . 0.0 111.761 168.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 96.62 20.24 25.08 Favored Glycine 0 CA--C 1.556 2.596 0 N-CA-C 117.852 1.901 . . . . 0.0 117.852 -177.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.504 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 38.3 t -100.68 11.12 40.19 Favored 'General case' 0 CA--C 1.571 1.765 0 N-CA-C 115.772 1.767 . . . . 0.0 115.772 172.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.0 p -49.33 -18.67 0.4 Allowed 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 117.295 2.331 . . . . 0.0 117.295 146.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.0 p -114.64 30.0 7.63 Favored 'General case' 0 CA--C 1.559 1.291 0 N-CA-C 116.317 1.969 . . . . 0.0 116.317 163.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.412 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . -71.04 157.31 38.43 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-O 123.927 1.822 . . . . 0.0 111.035 144.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.2 p -89.25 -36.58 15.52 Favored 'General case' 0 CA--C 1.554 1.128 0 N-CA-C 118.18 2.659 . . . . 0.0 118.18 -176.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 16.6 p -53.28 -23.75 9.79 Favored 'General case' 0 N--CA 1.505 2.282 0 N-CA-C 118.186 2.661 . . . . 0.0 118.186 156.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 24.8 m -71.94 -25.32 61.84 Favored 'General case' 0 CA--C 1.557 1.235 0 N-CA-C 117.687 2.477 . . . . 0.0 117.687 168.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 51.8 mm-40 -75.55 -36.72 60.37 Favored 'General case' 0 CA--C 1.563 1.446 0 N-CA-C 118.01 2.596 . . . . 0.0 118.01 173.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -112.25 78.0 1.09 Allowed 'General case' 0 N--CA 1.496 1.857 0 CA-C-N 118.848 0.749 . . . . 0.0 110.282 -164.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.052 0 O-C-N 117.068 -3.52 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 27.8 p80 . . . . . 0 N--CA 1.482 1.13 0 N-CA-C 114.051 1.13 . . . . 0.0 114.051 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.425 ' SG ' ' O ' ' A' ' 4' ' ' CYS . 8.5 t -79.68 -26.54 40.94 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 115.111 1.523 . . . . 0.0 115.111 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 13.3 m -96.79 91.06 5.49 Favored 'General case' 0 C--N 1.354 0.797 0 N-CA-C 105.17 -2.159 . . . . 0.0 105.17 162.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 21.6 tp -104.76 134.11 48.45 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 102.868 -3.012 . . . . 0.0 102.868 175.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 63.81 21.53 12.69 Favored 'General case' 0 CA--C 1.589 2.458 0 CA-C-N 112.511 -2.131 . . . . 0.0 115.455 -171.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.9 -23.7 6.6 Favored Glycine 0 CA--C 1.528 0.892 0 N-CA-C 122.011 3.564 . . . . 0.0 122.011 -158.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -117.6 167.51 11.26 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 126.015 2.817 . . . . 0.0 110.05 -150.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.0 t -93.83 91.3 6.89 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 109.808 -3.36 . . . . 0.0 111.262 -160.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.74 145.46 25.18 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 112.78 -2.009 . . . . 0.0 109.334 171.62 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -93.08 65.92 4.05 Favored 'General case' 0 CA--C 1.56 1.357 0 CA-C-N 113.185 -1.825 . . . . 0.0 111.787 -177.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -79.09 162.5 25.81 Favored 'General case' 0 CA--C 1.571 1.785 0 CA-C-N 113.928 -1.487 . . . . 0.0 110.794 163.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 94.84 28.16 10.44 Favored Glycine 0 CA--C 1.554 2.525 0 N-CA-C 117.089 1.596 . . . . 0.0 117.089 -174.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.489 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 38.8 t -109.84 12.75 23.82 Favored 'General case' 0 CA--C 1.569 1.676 0 C-N-CA 126.035 1.734 . . . . 0.0 115.27 173.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 68.8 m -51.78 -18.63 1.32 Allowed 'General case' 0 N--CA 1.499 1.975 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 147.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.1 p -112.4 29.17 8.14 Favored 'General case' 0 CA--C 1.558 1.266 0 N-CA-C 116.399 2.0 . . . . 0.0 116.399 163.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.424 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . -70.8 157.12 38.62 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-O 123.927 1.822 . . . . 0.0 111.227 145.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 99.0 p -88.66 -36.83 16.02 Favored 'General case' 0 CA--C 1.555 1.161 0 N-CA-C 118.164 2.653 . . . . 0.0 118.164 -176.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.8 p -53.39 -22.98 8.49 Favored 'General case' 0 N--CA 1.505 2.302 0 N-CA-C 118.044 2.609 . . . . 0.0 118.044 156.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.2 m -72.61 -26.34 61.64 Favored 'General case' 0 CA--C 1.555 1.167 0 N-CA-C 117.938 2.57 . . . . 0.0 117.938 168.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -74.66 -36.6 62.83 Favored 'General case' 0 CA--C 1.56 1.359 0 N-CA-C 117.835 2.531 . . . . 0.0 117.835 173.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 59.1 ttm-85 -150.33 140.04 21.7 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 107.069 -1.456 . . . . 0.0 107.069 -161.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.904 0 O-C-N 117.982 -2.948 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 33.8 p80 . . . . . 0 N--CA 1.481 1.107 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 8.4 t -79.71 -28.44 40.6 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 114.891 1.441 . . . . 0.0 114.891 178.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 15.0 m -98.05 91.39 5.27 Favored 'General case' 0 C--N 1.355 0.838 0 N-CA-C 105.487 -2.042 . . . . 0.0 105.487 165.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.6 tp -104.33 128.4 52.13 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 103.868 -2.641 . . . . 0.0 103.868 176.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 63.99 24.91 13.74 Favored 'General case' 0 CA--C 1.586 2.327 0 CA-C-N 111.607 -2.542 . . . . 0.0 115.283 -170.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.77 -20.73 7.37 Favored Glycine 0 CA--C 1.538 1.489 0 N-CA-C 121.942 3.537 . . . . 0.0 121.942 -157.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -119.98 158.53 26.55 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-O 125.619 2.628 . . . . 0.0 110.142 -152.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.9 t -86.73 100.47 12.51 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 109.504 -3.498 . . . . 0.0 113.408 -151.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.78 146.71 30.84 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 112.173 -2.285 . . . . 0.0 110.921 178.555 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 -100.18 61.62 1.08 Allowed 'General case' 0 CA--C 1.561 1.368 0 CA-C-N 113.46 -1.7 . . . . 0.0 112.239 -177.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -92.4 166.51 12.52 Favored 'General case' 0 CA--C 1.568 1.638 0 C-N-CA 125.487 1.515 . . . . 0.0 111.377 172.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 97.51 21.61 18.97 Favored Glycine 0 CA--C 1.555 2.556 0 N-CA-C 117.897 1.919 . . . . 0.0 117.897 -176.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.507 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 41.7 t -103.76 11.14 36.2 Favored 'General case' 0 CA--C 1.571 1.78 0 N-CA-C 115.609 1.707 . . . . 0.0 115.609 172.343 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.3 m -51.29 -17.05 0.62 Allowed 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 116.657 2.095 . . . . 0.0 116.657 148.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 51.9 p -116.22 31.3 6.81 Favored 'General case' 0 CA--C 1.559 1.297 0 N-CA-C 116.124 1.898 . . . . 0.0 116.124 162.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.422 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . -71.24 156.8 39.13 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-O 123.995 1.855 . . . . 0.0 111.001 143.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.3 p -89.11 -36.63 15.62 Favored 'General case' 0 CA--C 1.554 1.126 0 N-CA-C 118.094 2.628 . . . . 0.0 118.094 -176.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.1 p -52.71 -24.18 8.15 Favored 'General case' 0 N--CA 1.504 2.274 0 N-CA-C 118.365 2.728 . . . . 0.0 118.365 156.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 23.2 m -72.06 -26.4 62.16 Favored 'General case' 0 CA--C 1.555 1.173 0 N-CA-C 117.736 2.495 . . . . 0.0 117.736 168.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -74.17 -36.88 64.1 Favored 'General case' 0 CA--C 1.56 1.356 0 N-CA-C 117.861 2.541 . . . . 0.0 117.861 172.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -149.41 139.68 22.27 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 107.011 -1.478 . . . . 0.0 107.011 -161.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.932 0 O-C-N 117.999 -2.938 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 33.1 p80 . . . . . 0 N--CA 1.481 1.118 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 8.5 t -79.25 -28.59 42.43 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 177.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 14.7 m -97.69 91.7 5.52 Favored 'General case' 0 C--N 1.354 0.799 0 N-CA-C 105.448 -2.056 . . . . 0.0 105.448 165.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 20.2 tp -104.68 128.08 52.63 Favored 'General case' 0 N--CA 1.443 -0.802 0 N-CA-C 103.863 -2.643 . . . . 0.0 103.863 177.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 63.95 25.04 13.82 Favored 'General case' 0 CA--C 1.586 2.343 0 CA-C-N 111.524 -2.58 . . . . 0.0 115.242 -170.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.86 -20.96 7.12 Favored Glycine 0 CA--C 1.538 1.501 0 N-CA-C 121.949 3.54 . . . . 0.0 121.949 -157.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -119.34 158.51 25.97 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 125.653 2.644 . . . . 0.0 110.222 -152.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.9 t -86.63 103.21 14.89 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 109.451 -3.522 . . . . 0.0 113.214 -152.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.1 147.24 28.22 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 112.274 -2.239 . . . . 0.0 110.894 -179.562 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.3 ppt_? -94.51 58.73 2.42 Favored 'General case' 0 CA--C 1.563 1.455 0 CA-C-N 113.207 -1.815 . . . . 0.0 114.278 178.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -92.8 166.01 12.64 Favored 'General case' 0 CA--C 1.57 1.737 0 C-N-CA 124.936 1.294 . . . . 0.0 111.898 171.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 96.2 20.79 24.49 Favored Glycine 0 CA--C 1.556 2.597 0 N-CA-C 117.873 1.909 . . . . 0.0 117.873 -176.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 41.7 t -102.33 11.14 38.55 Favored 'General case' 0 CA--C 1.57 1.741 0 N-CA-C 115.655 1.724 . . . . 0.0 115.655 172.505 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.1 m -50.95 -17.32 0.56 Allowed 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 116.679 2.103 . . . . 0.0 116.679 147.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 51.9 p -116.34 31.25 6.84 Favored 'General case' 0 CA--C 1.558 1.269 0 N-CA-C 116.155 1.909 . . . . 0.0 116.155 162.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.419 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . -71.22 156.78 39.15 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-O 123.927 1.822 . . . . 0.0 111.044 143.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.3 p -89.15 -36.46 15.68 Favored 'General case' 0 CA--C 1.555 1.155 0 N-CA-C 118.183 2.66 . . . . 0.0 118.183 -176.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.5 p -52.97 -24.01 8.49 Favored 'General case' 0 N--CA 1.505 2.324 0 N-CA-C 118.304 2.705 . . . . 0.0 118.304 156.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 23.2 m -71.94 -26.51 62.32 Favored 'General case' 0 CA--C 1.556 1.19 0 N-CA-C 117.645 2.461 . . . . 0.0 117.645 168.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 49.1 mm-40 -74.62 -36.54 62.94 Favored 'General case' 0 CA--C 1.561 1.373 0 N-CA-C 117.979 2.585 . . . . 0.0 117.979 172.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 33.4 ttp-105 -148.39 139.62 23.32 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 -160.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.921 0 O-C-N 117.958 -2.964 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 32.4 p80 . . . . . 0 N--CA 1.481 1.108 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.2 t -77.24 -30.5 54.55 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 178.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 13.7 m -99.4 94.63 6.53 Favored 'General case' 0 C--N 1.353 0.738 0 N-CA-C 105.236 -2.135 . . . . 0.0 105.236 166.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.7 tp -106.77 131.48 53.84 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 103.45 -2.796 . . . . 0.0 103.45 175.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 64.5 24.35 13.08 Favored 'General case' 0 CA--C 1.587 2.375 0 CA-C-N 111.46 -2.609 . . . . 0.0 115.03 -170.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.79 -18.46 9.06 Favored Glycine 0 CA--C 1.537 1.429 0 N-CA-C 121.768 3.467 . . . . 0.0 121.768 -157.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -119.36 157.18 28.68 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 126.189 2.9 . . . . 0.0 110.9 -151.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.8 t -86.61 97.34 10.48 Favored 'General case' 0 C--N 1.321 -0.663 1 CA-C-N 108.149 -4.114 . . . . 0.0 111.866 -156.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -104.49 139.56 39.23 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 113.246 -1.797 . . . . 0.0 109.435 -178.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -93.5 67.6 4.01 Favored 'General case' 0 CA--C 1.559 1.292 0 CA-C-N 113.726 -1.579 . . . . 0.0 112.607 -165.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -78.19 163.98 25.33 Favored 'General case' 0 CA--C 1.566 1.568 0 CA-C-N 113.639 -1.619 . . . . 0.0 111.658 162.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.73 20.61 16.37 Favored Glycine 0 CA--C 1.556 2.645 0 N-CA-C 117.911 1.924 . . . . 0.0 117.911 -175.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.51 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 38.8 t -101.12 11.73 38.95 Favored 'General case' 0 CA--C 1.571 1.781 0 N-CA-C 115.745 1.757 . . . . 0.0 115.745 172.48 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.3 p -49.29 -19.15 0.45 Allowed 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 117.255 2.317 . . . . 0.0 117.255 145.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.2 p -112.91 29.06 8.27 Favored 'General case' 0 CA--C 1.558 1.269 0 N-CA-C 116.406 2.002 . . . . 0.0 116.406 163.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.441 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . -71.06 157.69 37.76 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-O 123.964 1.84 . . . . 0.0 111.154 145.293 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.2 p -88.79 -36.71 15.92 Favored 'General case' 0 CA--C 1.554 1.131 0 N-CA-C 118.13 2.641 . . . . 0.0 118.13 -176.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.3 p -52.95 -23.86 8.12 Favored 'General case' 0 N--CA 1.504 2.262 0 N-CA-C 118.197 2.666 . . . . 0.0 118.197 156.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 23.0 m -72.46 -25.09 61.31 Favored 'General case' 0 CA--C 1.557 1.222 0 N-CA-C 117.872 2.545 . . . . 0.0 117.872 168.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 53.1 mm-40 -75.54 -36.89 60.38 Favored 'General case' 0 CA--C 1.562 1.419 0 N-CA-C 117.892 2.553 . . . . 0.0 117.892 174.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 45.1 tpt85 -113.35 78.48 1.14 Allowed 'General case' 0 CA--C 1.572 1.826 0 CA-C-N 118.906 0.776 . . . . 0.0 110.467 -164.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.092 0 O-C-N 117.2 -3.438 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 31.1 p80 . . . . . 0 N--CA 1.481 1.087 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.3 t -73.25 -40.96 64.21 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 117.266 -1.35 . . . . 0.0 113.799 174.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 13.4 m -93.49 95.82 9.5 Favored 'General case' 0 C--N 1.358 0.955 0 N-CA-C 105.387 -2.079 . . . . 0.0 105.387 172.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 21.1 tp -107.69 128.78 54.87 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 103.323 -2.843 . . . . 0.0 103.323 178.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 63.73 24.48 13.86 Favored 'General case' 0 CA--C 1.584 2.269 0 CA-C-N 111.283 -2.689 . . . . 0.0 115.375 -170.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.37 -19.87 12.61 Favored Glycine 0 CA--C 1.538 1.497 0 N-CA-C 121.833 3.493 . . . . 0.0 121.833 -159.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -116.53 154.98 29.45 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-O 125.484 2.564 . . . . 0.0 111.207 -152.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.9 t -86.83 99.49 11.86 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 109.416 -3.538 . . . . 0.0 113.525 -154.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.6 mtt-85 -90.84 168.7 11.52 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 124.959 2.314 . . . . 0.0 111.611 -178.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.97 52.35 0.72 Allowed 'General case' 0 CA--C 1.558 1.281 0 CA-C-N 109.94 -3.3 . . . . 0.0 115.103 -169.043 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -92.88 165.03 13.1 Favored 'General case' 0 CA--C 1.567 1.629 0 C-N-CA 124.668 1.187 . . . . 0.0 111.662 174.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.9 19.53 28.72 Favored Glycine 0 CA--C 1.556 2.628 0 N-CA-C 117.973 1.949 . . . . 0.0 117.973 -176.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.491 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 40.3 t -98.84 9.01 44.35 Favored 'General case' 0 CA--C 1.57 1.734 0 N-CA-C 115.913 1.819 . . . . 0.0 115.913 173.016 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.6 p -49.2 -20.8 0.66 Allowed 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 117.238 2.31 . . . . 0.0 117.238 146.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.2 p -113.17 30.19 7.39 Favored 'General case' 0 CA--C 1.558 1.275 0 N-CA-C 116.162 1.912 . . . . 0.0 116.162 163.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.65 156.53 39.34 Favored 'General case' 0 CA--C 1.548 0.865 0 CA-C-O 123.979 1.847 . . . . 0.0 110.92 144.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.2 p -88.51 -36.31 16.49 Favored 'General case' 0 CA--C 1.556 1.189 0 N-CA-C 118.137 2.643 . . . . 0.0 118.137 -176.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.1 p -52.35 -25.01 8.6 Favored 'General case' 0 N--CA 1.504 2.258 0 N-CA-C 118.254 2.687 . . . . 0.0 118.254 156.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 22.4 m -72.13 -25.85 61.89 Favored 'General case' 0 CA--C 1.555 1.156 0 N-CA-C 117.987 2.588 . . . . 0.0 117.987 169.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -74.63 -36.67 62.91 Favored 'General case' 0 CA--C 1.56 1.353 0 N-CA-C 117.75 2.5 . . . . 0.0 117.75 172.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.3 tpp180 -151.43 140.69 21.35 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 107.397 -1.334 . . . . 0.0 107.397 -161.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.926 0 O-C-N 118.053 -2.905 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 30.2 p80 . . . . . 0 N--CA 1.482 1.129 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.711 ' SG ' ' CB ' ' A' ' 19' ' ' ALA . 5.4 t -66.21 -41.77 89.69 Favored 'General case' 0 N--CA 1.485 1.302 0 CA-C-O 117.912 -1.042 . . . . 0.0 113.79 178.292 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 22.9 m -103.67 100.19 10.01 Favored 'General case' 0 C--N 1.351 0.661 0 N-CA-C 105.171 -2.159 . . . . 0.0 105.171 171.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 20.5 tp -103.8 131.7 50.75 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 104.001 -2.592 . . . . 0.0 104.001 175.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 65.33 21.96 12.0 Favored 'General case' 0 CA--C 1.582 2.2 0 CA-C-N 111.314 -2.675 . . . . 0.0 115.468 -171.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.37 -15.41 34.86 Favored Glycine 0 CA--C 1.535 1.331 0 N-CA-C 121.501 3.361 . . . . 0.0 121.501 -157.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -123.24 157.66 32.61 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 126.287 2.946 . . . . 0.0 110.477 -151.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.1 t -89.21 102.24 14.9 Favored 'General case' 0 C--N 1.318 -0.77 1 CA-C-N 108.191 -4.095 . . . . 0.0 111.834 -154.747 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -113.1 149.01 34.11 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-O 123.599 1.666 . . . . 0.0 110.114 -175.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.87 58.79 3.93 Favored 'General case' 0 CA--C 1.558 1.275 0 CA-C-N 112.638 -2.073 . . . . 0.0 115.879 -163.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -83.02 163.76 20.77 Favored 'General case' 0 CA--C 1.567 1.609 0 CA-C-N 114.45 -1.25 . . . . 0.0 111.471 164.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.08 19.2 31.54 Favored Glycine 0 CA--C 1.559 2.838 0 N-CA-C 118.801 2.28 . . . . 0.0 118.801 -176.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.442 ' O ' ' SG ' ' A' ' 22' ' ' CYS . 23.2 t -95.48 -2.32 48.98 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 126.352 1.861 . . . . 0.0 115.575 171.634 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.8 t -56.11 -29.01 60.02 Favored 'General case' 0 CA--C 1.573 1.834 0 N-CA-C 116.072 1.879 . . . . 0.0 116.072 153.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 59.7 p -87.8 7.32 31.01 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 118.076 2.621 . . . . 0.0 118.076 165.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.711 ' CB ' ' SG ' ' A' ' 4' ' ' CYS . . . -68.48 163.93 22.28 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 123.882 1.801 . . . . 0.0 112.938 156.061 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.4 p -87.57 -36.95 17.25 Favored 'General case' 0 CA--C 1.552 1.044 0 N-CA-C 118.159 2.652 . . . . 0.0 118.159 -172.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.0 p -52.72 -25.13 10.17 Favored 'General case' 0 N--CA 1.507 2.395 0 N-CA-C 118.362 2.727 . . . . 0.0 118.362 158.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.442 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 18.0 m -73.12 -26.47 61.24 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 118.369 2.729 . . . . 0.0 118.369 169.706 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 57.9 mm-40 -68.04 -44.49 76.33 Favored 'General case' 0 CA--C 1.564 1.51 0 N-CA-C 115.566 1.691 . . . . 0.0 115.566 173.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.5 ttp-105 50.27 58.95 4.93 Favored 'General case' 0 N--CA 1.506 2.352 0 CA-C-N 120.012 1.278 . . . . 0.0 114.228 161.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.275 0 O-C-N 116.661 -3.774 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.9 t . . . . . 0 N--CA 1.474 0.752 0 CA-C-O 117.23 -1.367 . . . . 0.0 114.638 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 13.3 m -98.36 95.56 7.43 Favored 'General case' 0 C--N 1.355 0.827 0 N-CA-C 105.113 -2.181 . . . . 0.0 105.113 168.066 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.9 tp -108.04 132.07 53.93 Favored 'General case' 0 N--CA 1.442 -0.868 0 N-CA-C 103.065 -2.939 . . . . 0.0 103.065 175.33 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 65.03 23.56 12.51 Favored 'General case' 0 CA--C 1.589 2.446 0 CA-C-N 111.567 -2.56 . . . . 0.0 114.957 -171.227 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.84 -17.81 10.51 Favored Glycine 0 CA--C 1.537 1.456 0 N-CA-C 121.886 3.515 . . . . 0.0 121.886 -157.599 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -121.34 158.24 28.67 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 126.048 2.832 . . . . 0.0 111.343 -151.36 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.2 t -88.89 96.79 10.84 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 108.416 -3.993 . . . . 0.0 112.51 -154.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -99.44 149.31 23.32 Favored 'General case' 0 CA--C 1.55 0.958 0 CA-C-N 113.017 -1.902 . . . . 0.0 110.6 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.531 ' H ' ' HD3' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -93.19 60.94 3.29 Favored 'General case' 0 CA--C 1.558 1.25 0 CA-C-N 111.977 -2.374 . . . . 0.0 114.481 -165.593 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 . . . . . 0 CA--C 1.565 1.551 0 CA-C-N 114.439 -1.255 . . . . 0.0 111.609 169.431 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.556 2.642 0 N-CA-C 117.93 1.932 . . . . 0.0 117.93 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.503 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 39.2 t -99.71 10.64 40.99 Favored 'General case' 0 CA--C 1.571 1.77 0 N-CA-C 115.811 1.782 . . . . 0.0 115.811 172.53 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.2 p -48.97 -20.15 0.48 Allowed 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 117.261 2.319 . . . . 0.0 117.261 146.064 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.3 p -113.24 30.29 7.31 Favored 'General case' 0 CA--C 1.558 1.27 0 N-CA-C 116.226 1.936 . . . . 0.0 116.226 163.276 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.425 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . -71.57 157.03 38.72 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-O 123.991 1.853 . . . . 0.0 111.023 144.324 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.1 p -88.33 -36.78 16.43 Favored 'General case' 0 CA--C 1.554 1.123 0 N-CA-C 118.097 2.629 . . . . 0.0 118.097 -176.519 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.2 p -52.77 -23.86 7.68 Favored 'General case' 0 N--CA 1.505 2.29 0 N-CA-C 118.339 2.718 . . . . 0.0 118.339 156.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.8 m -72.91 -28.04 62.23 Favored 'General case' 0 CA--C 1.553 1.061 0 N-CA-C 118.094 2.627 . . . . 0.0 118.094 169.139 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -65.42 -47.33 76.64 Favored 'General case' 0 CA--C 1.558 1.286 0 C-N-CA 126.458 1.903 . . . . 0.0 115.231 170.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.283 70.2 ttp85 . . . . . 0 CA--C 1.57 1.746 0 N-CA-C 118.338 2.718 . . . . 0.0 118.338 164.69 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.5 t . . . . . 0 N--CA 1.473 0.685 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 14.2 m -96.73 90.56 5.33 Favored 'General case' 0 C--N 1.355 0.81 0 N-CA-C 105.25 -2.13 . . . . 0.0 105.25 166.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.1 tp -104.25 129.75 52.06 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 103.697 -2.705 . . . . 0.0 103.697 177.165 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 64.25 24.71 13.41 Favored 'General case' 0 CA--C 1.586 2.355 0 CA-C-N 111.38 -2.645 . . . . 0.0 115.072 -170.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.3 -21.15 6.26 Favored Glycine 0 CA--C 1.536 1.353 0 N-CA-C 121.833 3.493 . . . . 0.0 121.833 -157.617 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -118.01 155.4 30.36 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 125.885 2.755 . . . . 0.0 109.971 -151.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.3 t -86.06 100.43 12.16 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 108.906 -3.77 . . . . 0.0 111.775 -157.208 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.9 ptp180 -103.58 143.16 33.11 Favored 'General case' 0 CA--C 1.552 1.023 0 CA-C-N 113.582 -1.644 . . . . 0.0 109.931 -177.294 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.37 62.37 6.61 Favored 'General case' 0 CA--C 1.561 1.385 0 CA-C-N 113.479 -1.691 . . . . 0.0 114.327 -168.102 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 . . . . . 0 CA--C 1.567 1.616 0 CA-C-N 114.202 -1.363 . . . . 0.0 111.825 165.393 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.556 2.631 0 N-CA-C 117.787 1.875 . . . . 0.0 117.787 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.51 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 37.8 t -100.61 10.71 40.81 Favored 'General case' 0 CA--C 1.571 1.759 0 N-CA-C 115.742 1.756 . . . . 0.0 115.742 172.498 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.0 p -49.0 -19.67 0.43 Allowed 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 117.304 2.335 . . . . 0.0 117.304 146.491 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.2 p -113.81 29.58 7.9 Favored 'General case' 0 CA--C 1.558 1.28 0 N-CA-C 116.34 1.978 . . . . 0.0 116.34 163.61 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.416 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . -70.88 157.44 38.13 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-O 123.9 1.81 . . . . 0.0 111.181 144.742 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.8 p -88.71 -37.34 15.59 Favored 'General case' 0 CA--C 1.556 1.18 0 N-CA-C 118.004 2.594 . . . . 0.0 118.004 -176.416 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.2 p -53.13 -23.43 8.07 Favored 'General case' 0 N--CA 1.506 2.366 0 N-CA-C 118.259 2.688 . . . . 0.0 118.259 156.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 23.3 m -73.0 -28.88 62.63 Favored 'General case' 0 CA--C 1.553 1.094 0 N-CA-C 118.009 2.596 . . . . 0.0 118.009 168.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 54.8 mm-40 -63.87 -30.61 71.68 Favored 'General case' 0 CA--C 1.568 1.672 0 N-CA-C 116.886 2.18 . . . . 0.0 116.886 167.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.7 tpp85 . . . . . 0 CA--C 1.575 1.931 0 N-CA-C 117.935 2.569 . . . . 0.0 117.935 164.013 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.407 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 7.8 t . . . . . 0 N--CA 1.475 0.798 0 N-CA-C 115.359 1.614 . . . . 0.0 115.359 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 10.7 m -102.6 96.03 6.62 Favored 'General case' 0 C--N 1.351 0.669 0 N-CA-C 105.233 -2.136 . . . . 0.0 105.233 161.166 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.6 tp -108.48 131.31 54.94 Favored 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 103.45 -2.796 . . . . 0.0 103.45 174.562 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 64.17 23.82 13.26 Favored 'General case' 0 CA--C 1.587 2.394 0 CA-C-N 111.649 -2.523 . . . . 0.0 115.063 -171.299 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.87 -19.67 7.32 Favored Glycine 0 CA--C 1.539 1.555 0 N-CA-C 122.019 3.568 . . . . 0.0 122.019 -157.376 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -117.7 156.79 27.63 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 125.763 2.697 . . . . 0.0 110.647 -152.174 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.6 t -85.76 104.14 15.18 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 109.186 -3.643 . . . . 0.0 112.996 -153.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -91.53 147.41 23.03 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-N 112.924 -1.944 . . . . 0.0 110.543 -173.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 39.8 mtm105 -93.17 62.93 3.58 Favored 'General case' 0 CA--C 1.563 1.454 0 CA-C-N 113.524 -1.671 . . . . 0.0 112.849 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 . . . . . 0 CA--C 1.569 1.698 0 C-N-CA 124.733 1.213 . . . . 0.0 111.545 167.179 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.555 2.589 0 N-CA-C 117.687 1.835 . . . . 0.0 117.687 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.499 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 37.4 t -103.62 12.01 35.42 Favored 'General case' 0 CA--C 1.57 1.746 0 N-CA-C 115.588 1.699 . . . . 0.0 115.588 172.715 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.0 m -50.63 -18.9 0.77 Allowed 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 116.657 2.095 . . . . 0.0 116.657 147.279 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.2 p -114.0 30.42 7.28 Favored 'General case' 0 CA--C 1.559 1.3 0 N-CA-C 116.207 1.929 . . . . 0.0 116.207 163.244 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.418 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . -71.17 157.1 38.74 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-O 123.996 1.855 . . . . 0.0 111.018 144.194 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.4 p -89.0 -37.04 15.49 Favored 'General case' 0 CA--C 1.555 1.163 0 N-CA-C 118.003 2.594 . . . . 0.0 118.003 -175.372 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 16.9 p -52.97 -24.07 8.63 Favored 'General case' 0 N--CA 1.506 2.335 0 N-CA-C 118.26 2.689 . . . . 0.0 118.26 156.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 23.1 m -72.68 -28.29 62.61 Favored 'General case' 0 CA--C 1.553 1.081 0 N-CA-C 118.106 2.632 . . . . 0.0 118.106 168.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 55.2 mm-40 -64.15 -30.7 71.74 Favored 'General case' 0 CA--C 1.568 1.666 0 N-CA-C 116.861 2.171 . . . . 0.0 116.861 167.218 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.4 tpp180 . . . . . 0 CA--C 1.576 1.979 0 N-CA-C 117.874 2.546 . . . . 0.0 117.874 164.009 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.3 t . . . . . 0 N--CA 1.475 0.788 0 CA-C-O 116.765 -1.588 . . . . 0.0 114.389 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 11.9 m -88.0 87.83 7.46 Favored 'General case' 0 C--N 1.358 0.972 0 N-CA-C 106.283 -1.747 . . . . 0.0 106.283 167.199 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 30.1 tp -105.38 129.19 53.76 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 102.858 -3.016 . . . . 0.0 102.858 -178.434 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 61.56 25.51 15.41 Favored 'General case' 0 CA--C 1.589 2.461 0 CA-C-N 112.018 -2.356 . . . . 0.0 115.443 -169.142 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.82 -25.38 6.72 Favored Glycine 0 CA--C 1.532 1.13 0 N-CA-C 121.944 3.538 . . . . 0.0 121.944 -161.619 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -113.2 163.01 15.32 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 125.715 2.674 . . . . 0.0 111.342 -150.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.1 t -90.14 94.41 9.76 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 109.581 -3.463 . . . . 0.0 112.742 -159.345 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -100.54 149.81 23.33 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 112.362 -2.199 . . . . 0.0 111.303 -163.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 36.7 ptt180 -85.16 55.75 3.64 Favored 'General case' 0 CA--C 1.559 1.321 0 CA-C-N 112.746 -2.025 . . . . 0.0 114.65 -178.332 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 . . . . . 0 CA--C 1.572 1.794 0 CA-C-N 113.872 -1.513 . . . . 0.0 110.324 170.773 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.554 2.5 0 N-CA-C 117.01 1.564 . . . . 0.0 117.01 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.466 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 44.2 t -107.38 11.44 29.01 Favored 'General case' 0 CA--C 1.566 1.59 0 N-CA-C 115.504 1.668 . . . . 0.0 115.504 174.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.8 t -50.13 -22.86 1.84 Allowed 'General case' 0 CA--C 1.577 2.017 0 N-CA-C 116.567 2.062 . . . . 0.0 116.567 147.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.2 p -110.55 28.74 8.37 Favored 'General case' 0 CA--C 1.557 1.218 0 N-CA-C 116.327 1.973 . . . . 0.0 116.327 165.372 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.412 ' HB2' ' SG ' ' A' ' 16' ' ' CYS . . . -69.29 156.58 38.54 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-O 123.873 1.797 . . . . 0.0 111.306 146.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 99.6 p -88.17 -37.1 16.44 Favored 'General case' 0 CA--C 1.557 1.236 0 N-CA-C 118.069 2.618 . . . . 0.0 118.069 -176.685 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 10.4 p -52.86 -23.79 7.75 Favored 'General case' 0 N--CA 1.506 2.338 0 N-CA-C 118.067 2.618 . . . . 0.0 118.067 156.617 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.3 m -72.12 -25.66 61.82 Favored 'General case' 0 CA--C 1.554 1.131 0 N-CA-C 118.309 2.707 . . . . 0.0 118.309 167.397 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 46.8 mm-40 -76.64 -34.31 58.3 Favored 'General case' 0 CA--C 1.563 1.452 0 N-CA-C 118.14 2.644 . . . . 0.0 118.14 173.465 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.0 tpp180 . . . . . 0 N--CA 1.478 0.945 0 CA-C-O 123.565 1.65 . . . . 0.0 107.832 -157.04 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.2 t . . . . . 0 N--CA 1.473 0.709 0 N-CA-C 114.906 1.447 . . . . 0.0 114.906 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 12.0 m -99.5 94.89 6.65 Favored 'General case' 0 C--N 1.353 0.722 0 N-CA-C 105.088 -2.19 . . . . 0.0 105.088 166.51 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.5 tp -106.83 131.44 53.93 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 103.528 -2.767 . . . . 0.0 103.528 175.464 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 64.74 23.04 12.68 Favored 'General case' 0 CA--C 1.587 2.377 0 CA-C-N 111.466 -2.606 . . . . 0.0 115.158 -171.091 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.71 -19.41 9.33 Favored Glycine 0 CA--C 1.537 1.417 0 N-CA-C 121.853 3.501 . . . . 0.0 121.853 -157.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -117.34 154.43 31.28 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 125.811 2.719 . . . . 0.0 110.233 -152.481 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.5 t -85.65 100.73 12.17 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 108.949 -3.751 . . . . 0.0 111.958 -158.046 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -104.84 148.28 26.82 Favored 'General case' 0 CA--C 1.551 1.019 0 CA-C-O 123.601 1.667 . . . . 0.0 110.256 -176.47 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 -90.41 61.19 4.91 Favored 'General case' 0 CA--C 1.558 1.253 0 CA-C-N 112.475 -2.148 . . . . 0.0 114.919 -164.279 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 . . . . . 0 CA--C 1.565 1.553 0 CA-C-N 114.47 -1.241 . . . . 0.0 111.64 169.989 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.556 2.62 0 N-CA-C 117.789 1.875 . . . . 0.0 117.789 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.506 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 37.9 t -100.61 11.0 40.43 Favored 'General case' 0 CA--C 1.57 1.728 0 N-CA-C 115.797 1.777 . . . . 0.0 115.797 172.503 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.0 t -49.85 -20.03 0.79 Allowed 'General case' 0 CA--C 1.575 1.94 0 N-CA-C 116.648 2.092 . . . . 0.0 116.648 146.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.1 p -112.23 29.0 8.27 Favored 'General case' 0 CA--C 1.558 1.282 0 N-CA-C 116.515 2.043 . . . . 0.0 116.515 163.514 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.418 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . -70.91 157.77 37.6 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-O 123.889 1.804 . . . . 0.0 111.186 145.186 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.2 p -89.05 -36.73 15.61 Favored 'General case' 0 CA--C 1.555 1.171 0 N-CA-C 118.133 2.642 . . . . 0.0 118.133 -176.302 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.7 p -53.42 -23.24 9.32 Favored 'General case' 0 N--CA 1.506 2.348 0 N-CA-C 118.191 2.663 . . . . 0.0 118.191 156.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 25.5 m -72.49 -26.45 61.79 Favored 'General case' 0 CA--C 1.557 1.232 0 N-CA-C 117.597 2.443 . . . . 0.0 117.597 168.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 51.5 mm-40 -74.91 -34.73 62.19 Favored 'General case' 0 CA--C 1.564 1.487 0 N-CA-C 118.317 2.71 . . . . 0.0 118.317 173.127 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 . . . . . 0 N--CA 1.479 0.993 0 CA-C-O 123.542 1.639 . . . . 0.0 107.447 -156.982 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.1 t . . . . . 0 N--CA 1.474 0.755 0 N-CA-C 114.986 1.476 . . . . 0.0 114.986 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 13.0 m -99.81 94.93 6.58 Favored 'General case' 0 C--N 1.353 0.74 0 N-CA-C 104.99 -2.226 . . . . 0.0 104.99 165.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.5 tp -106.62 131.6 53.58 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 103.508 -2.775 . . . . 0.0 103.508 175.383 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 64.68 23.44 12.78 Favored 'General case' 0 CA--C 1.586 2.351 0 CA-C-N 111.445 -2.616 . . . . 0.0 115.135 -171.133 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.37 -19.33 8.67 Favored Glycine 0 CA--C 1.535 1.323 0 N-CA-C 121.88 3.512 . . . . 0.0 121.88 -157.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -118.82 154.86 32.18 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 125.843 2.735 . . . . 0.0 110.092 -151.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.5 t -86.05 100.99 12.55 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 108.992 -3.731 . . . . 0.0 111.916 -156.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -103.69 143.55 32.63 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 113.553 -1.658 . . . . 0.0 109.622 -177.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.1 ppt_? -89.53 61.85 5.7 Favored 'General case' 0 CA--C 1.563 1.48 0 CA-C-N 113.451 -1.704 . . . . 0.0 114.203 -168.129 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 . . . . . 0 CA--C 1.566 1.576 0 CA-C-N 114.462 -1.245 . . . . 0.0 111.958 165.293 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.556 2.624 0 N-CA-C 117.787 1.875 . . . . 0.0 117.787 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.498 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 37.5 t -100.97 11.49 39.52 Favored 'General case' 0 CA--C 1.571 1.766 0 N-CA-C 115.718 1.747 . . . . 0.0 115.718 172.561 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.0 p -49.07 -19.53 0.43 Allowed 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 117.286 2.328 . . . . 0.0 117.286 145.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.2 p -113.49 29.66 7.82 Favored 'General case' 0 CA--C 1.558 1.276 0 N-CA-C 116.321 1.971 . . . . 0.0 116.321 163.453 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.427 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . -71.22 157.54 37.96 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-O 124.007 1.86 . . . . 0.0 111.109 144.585 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.6 p -88.88 -37.0 15.65 Favored 'General case' 0 CA--C 1.555 1.146 0 N-CA-C 118.009 2.596 . . . . 0.0 118.009 -175.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.7 p -53.12 -23.69 8.65 Favored 'General case' 0 N--CA 1.507 2.387 0 N-CA-C 118.22 2.674 . . . . 0.0 118.22 156.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 23.4 m -73.03 -28.63 62.46 Favored 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 117.995 2.591 . . . . 0.0 117.995 169.053 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 55.2 mm-40 -63.98 -30.64 71.7 Favored 'General case' 0 CA--C 1.568 1.668 0 N-CA-C 116.862 2.171 . . . . 0.0 116.862 167.55 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.6 tpp85 . . . . . 0 CA--C 1.576 1.977 0 N-CA-C 117.913 2.56 . . . . 0.0 117.913 163.994 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.411 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 7.8 t . . . . . 0 N--CA 1.477 0.889 0 N-CA-C 115.339 1.607 . . . . 0.0 115.339 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 10.2 m -102.54 96.07 6.66 Favored 'General case' 0 C--N 1.353 0.719 0 N-CA-C 105.26 -2.126 . . . . 0.0 105.26 161.486 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.6 tp -108.72 131.27 55.09 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 103.457 -2.794 . . . . 0.0 103.457 174.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 64.13 23.94 13.32 Favored 'General case' 0 CA--C 1.588 2.405 0 CA-C-N 111.648 -2.524 . . . . 0.0 115.068 -171.208 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.82 -19.61 7.32 Favored Glycine 0 CA--C 1.538 1.502 0 N-CA-C 122.034 3.573 . . . . 0.0 122.034 -157.446 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -117.89 156.93 27.58 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-O 125.815 2.721 . . . . 0.0 110.638 -152.228 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.5 t -85.64 104.47 15.41 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 109.13 -3.668 . . . . 0.0 113.048 -154.035 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -91.97 147.65 22.8 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 113.009 -1.905 . . . . 0.0 110.63 -173.25 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.39 59.0 3.76 Favored 'General case' 0 CA--C 1.563 1.454 0 CA-C-N 113.292 -1.776 . . . . 0.0 114.648 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 . . . . . 0 CA--C 1.57 1.722 0 C-N-CA 124.668 1.187 . . . . 0.0 111.761 168.486 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.556 2.596 0 N-CA-C 117.852 1.901 . . . . 0.0 117.852 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.504 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 38.3 t -100.68 11.12 40.19 Favored 'General case' 0 CA--C 1.571 1.765 0 N-CA-C 115.772 1.767 . . . . 0.0 115.772 172.711 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.0 p -49.33 -18.67 0.4 Allowed 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 117.295 2.331 . . . . 0.0 117.295 146.073 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.0 p -114.64 30.0 7.63 Favored 'General case' 0 CA--C 1.559 1.291 0 N-CA-C 116.317 1.969 . . . . 0.0 116.317 163.328 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.412 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . -71.04 157.31 38.43 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-O 123.927 1.822 . . . . 0.0 111.035 144.64 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.2 p -89.25 -36.58 15.52 Favored 'General case' 0 CA--C 1.554 1.128 0 N-CA-C 118.18 2.659 . . . . 0.0 118.18 -176.059 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 16.6 p -53.28 -23.75 9.79 Favored 'General case' 0 N--CA 1.505 2.282 0 N-CA-C 118.186 2.661 . . . . 0.0 118.186 156.576 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 24.8 m -71.94 -25.32 61.84 Favored 'General case' 0 CA--C 1.557 1.235 0 N-CA-C 117.687 2.477 . . . . 0.0 117.687 168.353 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 51.8 mm-40 -75.55 -36.72 60.37 Favored 'General case' 0 CA--C 1.563 1.446 0 N-CA-C 118.01 2.596 . . . . 0.0 118.01 173.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 . . . . . 0 N--CA 1.496 1.857 0 CA-C-N 118.848 0.749 . . . . 0.0 110.282 -164.632 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.425 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 8.5 t . . . . . 0 N--CA 1.474 0.751 0 N-CA-C 115.111 1.523 . . . . 0.0 115.111 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 13.3 m -96.79 91.06 5.49 Favored 'General case' 0 C--N 1.354 0.797 0 N-CA-C 105.17 -2.159 . . . . 0.0 105.17 162.586 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 21.6 tp -104.76 134.11 48.45 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 102.868 -3.012 . . . . 0.0 102.868 175.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 63.81 21.53 12.69 Favored 'General case' 0 CA--C 1.589 2.458 0 CA-C-N 112.511 -2.131 . . . . 0.0 115.455 -171.547 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.9 -23.7 6.6 Favored Glycine 0 CA--C 1.528 0.892 0 N-CA-C 122.011 3.564 . . . . 0.0 122.011 -158.574 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -117.6 167.51 11.26 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 126.015 2.817 . . . . 0.0 110.05 -150.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.0 t -93.83 91.3 6.89 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 109.808 -3.36 . . . . 0.0 111.262 -160.062 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.74 145.46 25.18 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 112.78 -2.009 . . . . 0.0 109.334 171.62 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -93.08 65.92 4.05 Favored 'General case' 0 CA--C 1.56 1.357 0 CA-C-N 113.185 -1.825 . . . . 0.0 111.787 -177.25 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 . . . . . 0 CA--C 1.571 1.785 0 CA-C-N 113.928 -1.487 . . . . 0.0 110.794 163.279 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.554 2.525 0 N-CA-C 117.089 1.596 . . . . 0.0 117.089 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.489 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 38.8 t -109.84 12.75 23.82 Favored 'General case' 0 CA--C 1.569 1.676 0 C-N-CA 126.035 1.734 . . . . 0.0 115.27 173.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 68.8 m -51.78 -18.63 1.32 Allowed 'General case' 0 N--CA 1.499 1.975 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 147.353 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.1 p -112.4 29.17 8.14 Favored 'General case' 0 CA--C 1.558 1.266 0 N-CA-C 116.399 2.0 . . . . 0.0 116.399 163.21 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.424 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . -70.8 157.12 38.62 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-O 123.927 1.822 . . . . 0.0 111.227 145.714 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 99.0 p -88.66 -36.83 16.02 Favored 'General case' 0 CA--C 1.555 1.161 0 N-CA-C 118.164 2.653 . . . . 0.0 118.164 -176.092 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.8 p -53.39 -22.98 8.49 Favored 'General case' 0 N--CA 1.505 2.302 0 N-CA-C 118.044 2.609 . . . . 0.0 118.044 156.54 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.2 m -72.61 -26.34 61.64 Favored 'General case' 0 CA--C 1.555 1.167 0 N-CA-C 117.938 2.57 . . . . 0.0 117.938 168.294 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -74.66 -36.6 62.83 Favored 'General case' 0 CA--C 1.56 1.359 0 N-CA-C 117.835 2.531 . . . . 0.0 117.835 173.23 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 59.1 ttm-85 . . . . . 0 N--CA 1.482 1.126 0 N-CA-C 107.069 -1.456 . . . . 0.0 107.069 -161.388 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 8.4 t . . . . . 0 N--CA 1.475 0.779 0 N-CA-C 114.891 1.441 . . . . 0.0 114.891 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 15.0 m -98.05 91.39 5.27 Favored 'General case' 0 C--N 1.355 0.838 0 N-CA-C 105.487 -2.042 . . . . 0.0 105.487 165.187 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.6 tp -104.33 128.4 52.13 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 103.868 -2.641 . . . . 0.0 103.868 176.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 63.99 24.91 13.74 Favored 'General case' 0 CA--C 1.586 2.327 0 CA-C-N 111.607 -2.542 . . . . 0.0 115.283 -170.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.77 -20.73 7.37 Favored Glycine 0 CA--C 1.538 1.489 0 N-CA-C 121.942 3.537 . . . . 0.0 121.942 -157.503 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -119.98 158.53 26.55 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-O 125.619 2.628 . . . . 0.0 110.142 -152.107 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.9 t -86.73 100.47 12.51 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 109.504 -3.498 . . . . 0.0 113.408 -151.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.78 146.71 30.84 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 112.173 -2.285 . . . . 0.0 110.921 178.555 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 -100.18 61.62 1.08 Allowed 'General case' 0 CA--C 1.561 1.368 0 CA-C-N 113.46 -1.7 . . . . 0.0 112.239 -177.143 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 . . . . . 0 CA--C 1.568 1.638 0 C-N-CA 125.487 1.515 . . . . 0.0 111.377 172.366 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.555 2.556 0 N-CA-C 117.897 1.919 . . . . 0.0 117.897 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.507 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 41.7 t -103.76 11.14 36.2 Favored 'General case' 0 CA--C 1.571 1.78 0 N-CA-C 115.609 1.707 . . . . 0.0 115.609 172.343 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.3 m -51.29 -17.05 0.62 Allowed 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 116.657 2.095 . . . . 0.0 116.657 148.252 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 51.9 p -116.22 31.3 6.81 Favored 'General case' 0 CA--C 1.559 1.297 0 N-CA-C 116.124 1.898 . . . . 0.0 116.124 162.647 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.422 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . -71.24 156.8 39.13 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-O 123.995 1.855 . . . . 0.0 111.001 143.611 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.3 p -89.11 -36.63 15.62 Favored 'General case' 0 CA--C 1.554 1.126 0 N-CA-C 118.094 2.628 . . . . 0.0 118.094 -176.036 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.1 p -52.71 -24.18 8.15 Favored 'General case' 0 N--CA 1.504 2.274 0 N-CA-C 118.365 2.728 . . . . 0.0 118.365 156.474 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 23.2 m -72.06 -26.4 62.16 Favored 'General case' 0 CA--C 1.555 1.173 0 N-CA-C 117.736 2.495 . . . . 0.0 117.736 168.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -74.17 -36.88 64.1 Favored 'General case' 0 CA--C 1.56 1.356 0 N-CA-C 117.861 2.541 . . . . 0.0 117.861 172.328 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 . . . . . 0 N--CA 1.481 1.109 0 N-CA-C 107.011 -1.478 . . . . 0.0 107.011 -161.561 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 8.5 t . . . . . 0 N--CA 1.474 0.773 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 14.7 m -97.69 91.7 5.52 Favored 'General case' 0 C--N 1.354 0.799 0 N-CA-C 105.448 -2.056 . . . . 0.0 105.448 165.019 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 20.2 tp -104.68 128.08 52.63 Favored 'General case' 0 N--CA 1.443 -0.802 0 N-CA-C 103.863 -2.643 . . . . 0.0 103.863 177.117 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 63.95 25.04 13.82 Favored 'General case' 0 CA--C 1.586 2.343 0 CA-C-N 111.524 -2.58 . . . . 0.0 115.242 -170.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.86 -20.96 7.12 Favored Glycine 0 CA--C 1.538 1.501 0 N-CA-C 121.949 3.54 . . . . 0.0 121.949 -157.604 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -119.34 158.51 25.97 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 125.653 2.644 . . . . 0.0 110.222 -152.597 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.9 t -86.63 103.21 14.89 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 109.451 -3.522 . . . . 0.0 113.214 -152.18 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.1 147.24 28.22 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 112.274 -2.239 . . . . 0.0 110.894 -179.562 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.3 ppt_? -94.51 58.73 2.42 Favored 'General case' 0 CA--C 1.563 1.455 0 CA-C-N 113.207 -1.815 . . . . 0.0 114.278 178.542 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 . . . . . 0 CA--C 1.57 1.737 0 C-N-CA 124.936 1.294 . . . . 0.0 111.898 171.929 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.556 2.597 0 N-CA-C 117.873 1.909 . . . . 0.0 117.873 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.502 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 41.7 t -102.33 11.14 38.55 Favored 'General case' 0 CA--C 1.57 1.741 0 N-CA-C 115.655 1.724 . . . . 0.0 115.655 172.505 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.1 m -50.95 -17.32 0.56 Allowed 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 116.679 2.103 . . . . 0.0 116.679 147.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 51.9 p -116.34 31.25 6.84 Favored 'General case' 0 CA--C 1.558 1.269 0 N-CA-C 116.155 1.909 . . . . 0.0 116.155 162.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.419 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . -71.22 156.78 39.15 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-O 123.927 1.822 . . . . 0.0 111.044 143.722 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.3 p -89.15 -36.46 15.68 Favored 'General case' 0 CA--C 1.555 1.155 0 N-CA-C 118.183 2.66 . . . . 0.0 118.183 -176.156 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.5 p -52.97 -24.01 8.49 Favored 'General case' 0 N--CA 1.505 2.324 0 N-CA-C 118.304 2.705 . . . . 0.0 118.304 156.437 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 23.2 m -71.94 -26.51 62.32 Favored 'General case' 0 CA--C 1.556 1.19 0 N-CA-C 117.645 2.461 . . . . 0.0 117.645 168.708 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 49.1 mm-40 -74.62 -36.54 62.94 Favored 'General case' 0 CA--C 1.561 1.373 0 N-CA-C 117.979 2.585 . . . . 0.0 117.979 172.39 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 33.4 ttp-105 . . . . . 0 N--CA 1.481 1.116 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 -160.872 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.2 t . . . . . 0 N--CA 1.473 0.688 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 13.7 m -99.4 94.63 6.53 Favored 'General case' 0 C--N 1.353 0.738 0 N-CA-C 105.236 -2.135 . . . . 0.0 105.236 166.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.7 tp -106.77 131.48 53.84 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 103.45 -2.796 . . . . 0.0 103.45 175.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 64.5 24.35 13.08 Favored 'General case' 0 CA--C 1.587 2.375 0 CA-C-N 111.46 -2.609 . . . . 0.0 115.03 -170.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.79 -18.46 9.06 Favored Glycine 0 CA--C 1.537 1.429 0 N-CA-C 121.768 3.467 . . . . 0.0 121.768 -157.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -119.36 157.18 28.68 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 126.189 2.9 . . . . 0.0 110.9 -151.472 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.8 t -86.61 97.34 10.48 Favored 'General case' 0 C--N 1.321 -0.663 1 CA-C-N 108.149 -4.114 . . . . 0.0 111.866 -156.606 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -104.49 139.56 39.23 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 113.246 -1.797 . . . . 0.0 109.435 -178.177 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -93.5 67.6 4.01 Favored 'General case' 0 CA--C 1.559 1.292 0 CA-C-N 113.726 -1.579 . . . . 0.0 112.607 -165.224 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 . . . . . 0 CA--C 1.566 1.568 0 CA-C-N 113.639 -1.619 . . . . 0.0 111.658 162.838 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.556 2.645 0 N-CA-C 117.911 1.924 . . . . 0.0 117.911 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.51 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 38.8 t -101.12 11.73 38.95 Favored 'General case' 0 CA--C 1.571 1.781 0 N-CA-C 115.745 1.757 . . . . 0.0 115.745 172.48 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.3 p -49.29 -19.15 0.45 Allowed 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 117.255 2.317 . . . . 0.0 117.255 145.342 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.2 p -112.91 29.06 8.27 Favored 'General case' 0 CA--C 1.558 1.269 0 N-CA-C 116.406 2.002 . . . . 0.0 116.406 163.445 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.441 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . -71.06 157.69 37.76 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-O 123.964 1.84 . . . . 0.0 111.154 145.293 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.2 p -88.79 -36.71 15.92 Favored 'General case' 0 CA--C 1.554 1.131 0 N-CA-C 118.13 2.641 . . . . 0.0 118.13 -176.433 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.3 p -52.95 -23.86 8.12 Favored 'General case' 0 N--CA 1.504 2.262 0 N-CA-C 118.197 2.666 . . . . 0.0 118.197 156.72 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 23.0 m -72.46 -25.09 61.31 Favored 'General case' 0 CA--C 1.557 1.222 0 N-CA-C 117.872 2.545 . . . . 0.0 117.872 168.642 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 53.1 mm-40 -75.54 -36.89 60.38 Favored 'General case' 0 CA--C 1.562 1.419 0 N-CA-C 117.892 2.553 . . . . 0.0 117.892 174.422 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 45.1 tpt85 . . . . . 0 CA--C 1.572 1.826 0 CA-C-N 118.906 0.776 . . . . 0.0 110.467 -164.63 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.3 t . . . . . 0 N--CA 1.473 0.723 0 CA-C-O 117.266 -1.35 . . . . 0.0 113.799 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 13.4 m -93.49 95.82 9.5 Favored 'General case' 0 C--N 1.358 0.955 0 N-CA-C 105.387 -2.079 . . . . 0.0 105.387 172.129 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 21.1 tp -107.69 128.78 54.87 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 103.323 -2.843 . . . . 0.0 103.323 178.221 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 63.73 24.48 13.86 Favored 'General case' 0 CA--C 1.584 2.269 0 CA-C-N 111.283 -2.689 . . . . 0.0 115.375 -170.393 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.37 -19.87 12.61 Favored Glycine 0 CA--C 1.538 1.497 0 N-CA-C 121.833 3.493 . . . . 0.0 121.833 -159.344 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -116.53 154.98 29.45 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-O 125.484 2.564 . . . . 0.0 111.207 -152.425 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.9 t -86.83 99.49 11.86 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 109.416 -3.538 . . . . 0.0 113.525 -154.406 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.6 mtt-85 -90.84 168.7 11.52 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 124.959 2.314 . . . . 0.0 111.611 -178.72 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.97 52.35 0.72 Allowed 'General case' 0 CA--C 1.558 1.281 0 CA-C-N 109.94 -3.3 . . . . 0.0 115.103 -169.043 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 . . . . . 0 CA--C 1.567 1.629 0 C-N-CA 124.668 1.187 . . . . 0.0 111.662 174.391 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.556 2.628 0 N-CA-C 117.973 1.949 . . . . 0.0 117.973 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.491 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 40.3 t -98.84 9.01 44.35 Favored 'General case' 0 CA--C 1.57 1.734 0 N-CA-C 115.913 1.819 . . . . 0.0 115.913 173.016 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.6 p -49.2 -20.8 0.66 Allowed 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 117.238 2.31 . . . . 0.0 117.238 146.514 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.2 p -113.17 30.19 7.39 Favored 'General case' 0 CA--C 1.558 1.275 0 N-CA-C 116.162 1.912 . . . . 0.0 116.162 163.482 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.65 156.53 39.34 Favored 'General case' 0 CA--C 1.548 0.865 0 CA-C-O 123.979 1.847 . . . . 0.0 110.92 144.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.2 p -88.51 -36.31 16.49 Favored 'General case' 0 CA--C 1.556 1.189 0 N-CA-C 118.137 2.643 . . . . 0.0 118.137 -176.145 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.1 p -52.35 -25.01 8.6 Favored 'General case' 0 N--CA 1.504 2.258 0 N-CA-C 118.254 2.687 . . . . 0.0 118.254 156.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 22.4 m -72.13 -25.85 61.89 Favored 'General case' 0 CA--C 1.555 1.156 0 N-CA-C 117.987 2.588 . . . . 0.0 117.987 169.002 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -74.63 -36.67 62.91 Favored 'General case' 0 CA--C 1.56 1.353 0 N-CA-C 117.75 2.5 . . . . 0.0 117.75 172.316 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.3 tpp180 . . . . . 0 N--CA 1.48 1.042 0 N-CA-C 107.397 -1.334 . . . . 0.0 107.397 -161.432 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.711 ' SG ' ' CB ' ' A' ' 19' ' ' ALA . 5.4 t . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 117.912 -1.042 . . . . 0.0 113.79 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 22.9 m -103.67 100.19 10.01 Favored 'General case' 0 C--N 1.351 0.661 0 N-CA-C 105.171 -2.159 . . . . 0.0 105.171 171.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 20.5 tp -103.8 131.7 50.75 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 104.001 -2.592 . . . . 0.0 104.001 175.721 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 65.33 21.96 12.0 Favored 'General case' 0 CA--C 1.582 2.2 0 CA-C-N 111.314 -2.675 . . . . 0.0 115.468 -171.562 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.37 -15.41 34.86 Favored Glycine 0 CA--C 1.535 1.331 0 N-CA-C 121.501 3.361 . . . . 0.0 121.501 -157.784 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -123.24 157.66 32.61 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 126.287 2.946 . . . . 0.0 110.477 -151.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.1 t -89.21 102.24 14.9 Favored 'General case' 0 C--N 1.318 -0.77 1 CA-C-N 108.191 -4.095 . . . . 0.0 111.834 -154.747 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -113.1 149.01 34.11 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-O 123.599 1.666 . . . . 0.0 110.114 -175.732 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.53 ' H ' ' HD3' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -90.87 58.79 3.93 Favored 'General case' 0 CA--C 1.558 1.275 0 CA-C-N 112.638 -2.073 . . . . 0.0 115.879 -163.83 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 . . . . . 0 CA--C 1.567 1.609 0 CA-C-N 114.45 -1.25 . . . . 0.0 111.471 164.044 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.559 2.838 0 N-CA-C 118.801 2.28 . . . . 0.0 118.801 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.442 ' O ' ' SG ' ' A' ' 22' ' ' CYS . 23.2 t -95.48 -2.32 48.98 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 126.352 1.861 . . . . 0.0 115.575 171.634 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.8 t -56.11 -29.01 60.02 Favored 'General case' 0 CA--C 1.573 1.834 0 N-CA-C 116.072 1.879 . . . . 0.0 116.072 153.599 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 59.7 p -87.8 7.32 31.01 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 118.076 2.621 . . . . 0.0 118.076 165.335 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.711 ' CB ' ' SG ' ' A' ' 4' ' ' CYS . . . -68.48 163.93 22.28 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 123.882 1.801 . . . . 0.0 112.938 156.061 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.4 p -87.57 -36.95 17.25 Favored 'General case' 0 CA--C 1.552 1.044 0 N-CA-C 118.159 2.652 . . . . 0.0 118.159 -172.4 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.0 p -52.72 -25.13 10.17 Favored 'General case' 0 N--CA 1.507 2.395 0 N-CA-C 118.362 2.727 . . . . 0.0 118.362 158.051 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.442 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 18.0 m -73.12 -26.47 61.24 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 118.369 2.729 . . . . 0.0 118.369 169.706 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 57.9 mm-40 -68.04 -44.49 76.33 Favored 'General case' 0 CA--C 1.564 1.51 0 N-CA-C 115.566 1.691 . . . . 0.0 115.566 173.265 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.5 ttp-105 . . . . . 0 N--CA 1.506 2.352 0 CA-C-N 120.012 1.278 . . . . 0.0 114.228 161.118 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.429 ' HA ' HD23 ' A' ' 2' ' ' HYP 0.251 34.1 p80 . . . . . 0 N--CA 1.481 1.115 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' HYP . . . . . 0.429 HD23 ' HA ' ' A' ' 1' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.9 t -76.3 -32.84 58.98 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-O 117.23 -1.367 . . . . 0.0 114.638 177.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 13.3 m -98.36 95.56 7.43 Favored 'General case' 0 C--N 1.355 0.827 0 N-CA-C 105.113 -2.181 . . . . 0.0 105.113 168.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.9 tp -108.04 132.07 53.93 Favored 'General case' 0 N--CA 1.442 -0.868 0 N-CA-C 103.065 -2.939 . . . . 0.0 103.065 175.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 65.03 23.56 12.51 Favored 'General case' 0 CA--C 1.589 2.446 0 CA-C-N 111.567 -2.56 . . . . 0.0 114.957 -171.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.84 -17.81 10.51 Favored Glycine 0 CA--C 1.537 1.456 0 N-CA-C 121.886 3.515 . . . . 0.0 121.886 -157.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -121.34 158.24 28.67 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 126.048 2.832 . . . . 0.0 111.343 -151.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.2 t -88.89 96.79 10.84 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 108.416 -3.993 . . . . 0.0 112.51 -154.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -99.44 149.31 23.32 Favored 'General case' 0 CA--C 1.55 0.958 0 CA-C-N 113.017 -1.902 . . . . 0.0 110.6 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.531 ' H ' ' HD3' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -93.19 60.94 3.29 Favored 'General case' 0 CA--C 1.558 1.25 0 CA-C-N 111.977 -2.374 . . . . 0.0 114.481 -165.593 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -85.37 163.43 18.55 Favored 'General case' 0 CA--C 1.565 1.551 0 CA-C-N 114.439 -1.255 . . . . 0.0 111.609 169.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.28 19.96 21.82 Favored Glycine 0 CA--C 1.556 2.642 0 N-CA-C 117.93 1.932 . . . . 0.0 117.93 -176.017 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.503 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 39.2 t -99.71 10.64 40.99 Favored 'General case' 0 CA--C 1.571 1.77 0 N-CA-C 115.811 1.782 . . . . 0.0 115.811 172.53 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.2 p -48.97 -20.15 0.48 Allowed 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 117.261 2.319 . . . . 0.0 117.261 146.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.3 p -113.24 30.29 7.31 Favored 'General case' 0 CA--C 1.558 1.27 0 N-CA-C 116.226 1.936 . . . . 0.0 116.226 163.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.425 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . -71.57 157.03 38.72 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-O 123.991 1.853 . . . . 0.0 111.023 144.324 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.1 p -88.33 -36.78 16.43 Favored 'General case' 0 CA--C 1.554 1.123 0 N-CA-C 118.097 2.629 . . . . 0.0 118.097 -176.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.2 p -52.77 -23.86 7.68 Favored 'General case' 0 N--CA 1.505 2.29 0 N-CA-C 118.339 2.718 . . . . 0.0 118.339 156.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.8 m -72.91 -28.04 62.23 Favored 'General case' 0 CA--C 1.553 1.061 0 N-CA-C 118.094 2.627 . . . . 0.0 118.094 169.139 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -65.42 -47.33 76.64 Favored 'General case' 0 CA--C 1.558 1.286 0 C-N-CA 126.458 1.903 . . . . 0.0 115.231 170.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.283 70.2 ttp85 67.41 -22.26 0.12 Allowed 'General case' 0 CA--C 1.57 1.746 0 N-CA-C 118.338 2.718 . . . . 0.0 118.338 164.69 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 O-C-N 116.634 -3.791 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.424 ' HA ' HD23 ' A' ' 2' ' ' HYP 0.25 32.7 p80 . . . . . 0 N--CA 1.482 1.137 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' HYP . . . . . 0.424 HD23 ' HA ' ' A' ' 1' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.5 t -78.25 -30.54 48.69 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 178.127 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 14.2 m -96.73 90.56 5.33 Favored 'General case' 0 C--N 1.355 0.81 0 N-CA-C 105.25 -2.13 . . . . 0.0 105.25 166.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.1 tp -104.25 129.75 52.06 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 103.697 -2.705 . . . . 0.0 103.697 177.165 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 64.25 24.71 13.41 Favored 'General case' 0 CA--C 1.586 2.355 0 CA-C-N 111.38 -2.645 . . . . 0.0 115.072 -170.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.3 -21.15 6.26 Favored Glycine 0 CA--C 1.536 1.353 0 N-CA-C 121.833 3.493 . . . . 0.0 121.833 -157.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -118.01 155.4 30.36 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 125.885 2.755 . . . . 0.0 109.971 -151.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.3 t -86.06 100.43 12.16 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 108.906 -3.77 . . . . 0.0 111.775 -157.208 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.9 ptp180 -103.58 143.16 33.11 Favored 'General case' 0 CA--C 1.552 1.023 0 CA-C-N 113.582 -1.644 . . . . 0.0 109.931 -177.294 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.37 62.37 6.61 Favored 'General case' 0 CA--C 1.561 1.385 0 CA-C-N 113.479 -1.691 . . . . 0.0 114.327 -168.102 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -81.41 163.21 22.97 Favored 'General case' 0 CA--C 1.567 1.616 0 CA-C-N 114.202 -1.363 . . . . 0.0 111.825 165.393 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.88 21.22 16.51 Favored Glycine 0 CA--C 1.556 2.631 0 N-CA-C 117.787 1.875 . . . . 0.0 117.787 -175.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.51 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 37.8 t -100.61 10.71 40.81 Favored 'General case' 0 CA--C 1.571 1.759 0 N-CA-C 115.742 1.756 . . . . 0.0 115.742 172.498 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.0 p -49.0 -19.67 0.43 Allowed 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 117.304 2.335 . . . . 0.0 117.304 146.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.2 p -113.81 29.58 7.9 Favored 'General case' 0 CA--C 1.558 1.28 0 N-CA-C 116.34 1.978 . . . . 0.0 116.34 163.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.416 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . -70.88 157.44 38.13 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-O 123.9 1.81 . . . . 0.0 111.181 144.742 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.8 p -88.71 -37.34 15.59 Favored 'General case' 0 CA--C 1.556 1.18 0 N-CA-C 118.004 2.594 . . . . 0.0 118.004 -176.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.2 p -53.13 -23.43 8.07 Favored 'General case' 0 N--CA 1.506 2.366 0 N-CA-C 118.259 2.688 . . . . 0.0 118.259 156.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 23.3 m -73.0 -28.88 62.63 Favored 'General case' 0 CA--C 1.553 1.094 0 N-CA-C 118.009 2.596 . . . . 0.0 118.009 168.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 54.8 mm-40 -63.87 -30.61 71.68 Favored 'General case' 0 CA--C 1.568 1.672 0 N-CA-C 116.886 2.18 . . . . 0.0 116.886 167.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.7 tpp85 -49.48 -26.83 3.67 Favored 'General case' 0 CA--C 1.575 1.931 0 N-CA-C 117.935 2.569 . . . . 0.0 117.935 164.013 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.004 0 O-C-N 116.514 -3.866 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.425 ' HA ' HD23 ' A' ' 2' ' ' HYP . 32.7 p80 . . . . . 0 N--CA 1.481 1.087 0 N-CA-C 114.185 1.18 . . . . 0.0 114.185 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' HYP . . . . . 0.425 HD23 ' HA ' ' A' ' 1' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.407 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 7.8 t -81.56 -22.06 38.05 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 115.359 1.614 . . . . 0.0 115.359 179.307 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 10.7 m -102.6 96.03 6.62 Favored 'General case' 0 C--N 1.351 0.669 0 N-CA-C 105.233 -2.136 . . . . 0.0 105.233 161.166 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.6 tp -108.48 131.31 54.94 Favored 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 103.45 -2.796 . . . . 0.0 103.45 174.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 64.17 23.82 13.26 Favored 'General case' 0 CA--C 1.587 2.394 0 CA-C-N 111.649 -2.523 . . . . 0.0 115.063 -171.299 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.87 -19.67 7.32 Favored Glycine 0 CA--C 1.539 1.555 0 N-CA-C 122.019 3.568 . . . . 0.0 122.019 -157.376 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -117.7 156.79 27.63 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 125.763 2.697 . . . . 0.0 110.647 -152.174 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.6 t -85.76 104.14 15.18 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 109.186 -3.643 . . . . 0.0 112.996 -153.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -91.53 147.41 23.03 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-N 112.924 -1.944 . . . . 0.0 110.543 -173.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 39.8 mtm105 -93.17 62.93 3.58 Favored 'General case' 0 CA--C 1.563 1.454 0 CA-C-N 113.524 -1.671 . . . . 0.0 112.849 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -92.52 165.36 13.06 Favored 'General case' 0 CA--C 1.569 1.698 0 C-N-CA 124.733 1.213 . . . . 0.0 111.545 167.179 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 96.76 22.46 18.23 Favored Glycine 0 CA--C 1.555 2.589 0 N-CA-C 117.687 1.835 . . . . 0.0 117.687 -176.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.499 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 37.4 t -103.62 12.01 35.42 Favored 'General case' 0 CA--C 1.57 1.746 0 N-CA-C 115.588 1.699 . . . . 0.0 115.588 172.715 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.0 m -50.63 -18.9 0.77 Allowed 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 116.657 2.095 . . . . 0.0 116.657 147.279 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.2 p -114.0 30.42 7.28 Favored 'General case' 0 CA--C 1.559 1.3 0 N-CA-C 116.207 1.929 . . . . 0.0 116.207 163.244 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.418 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . -71.17 157.1 38.74 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-O 123.996 1.855 . . . . 0.0 111.018 144.194 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.4 p -89.0 -37.04 15.49 Favored 'General case' 0 CA--C 1.555 1.163 0 N-CA-C 118.003 2.594 . . . . 0.0 118.003 -175.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 16.9 p -52.97 -24.07 8.63 Favored 'General case' 0 N--CA 1.506 2.335 0 N-CA-C 118.26 2.689 . . . . 0.0 118.26 156.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 23.1 m -72.68 -28.29 62.61 Favored 'General case' 0 CA--C 1.553 1.081 0 N-CA-C 118.106 2.632 . . . . 0.0 118.106 168.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 55.2 mm-40 -64.15 -30.7 71.74 Favored 'General case' 0 CA--C 1.568 1.666 0 N-CA-C 116.861 2.171 . . . . 0.0 116.861 167.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.4 tpp180 -50.0 -27.0 4.81 Favored 'General case' 0 CA--C 1.576 1.979 0 N-CA-C 117.874 2.546 . . . . 0.0 117.874 164.009 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.027 0 O-C-N 116.525 -3.859 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 20.5 p80 . . . . . 0 N--CA 1.482 1.159 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.3 t -73.32 -36.73 66.26 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 116.765 -1.588 . . . . 0.0 114.389 177.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 11.9 m -88.0 87.83 7.46 Favored 'General case' 0 C--N 1.358 0.972 0 N-CA-C 106.283 -1.747 . . . . 0.0 106.283 167.199 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 30.1 tp -105.38 129.19 53.76 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 102.858 -3.016 . . . . 0.0 102.858 -178.434 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 61.56 25.51 15.41 Favored 'General case' 0 CA--C 1.589 2.461 0 CA-C-N 112.018 -2.356 . . . . 0.0 115.443 -169.142 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.82 -25.38 6.72 Favored Glycine 0 CA--C 1.532 1.13 0 N-CA-C 121.944 3.538 . . . . 0.0 121.944 -161.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -113.2 163.01 15.32 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 125.715 2.674 . . . . 0.0 111.342 -150.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.1 t -90.14 94.41 9.76 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 109.581 -3.463 . . . . 0.0 112.742 -159.345 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -100.54 149.81 23.33 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 112.362 -2.199 . . . . 0.0 111.303 -163.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 36.7 ptt180 -85.16 55.75 3.64 Favored 'General case' 0 CA--C 1.559 1.321 0 CA-C-N 112.746 -2.025 . . . . 0.0 114.65 -178.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -92.61 162.5 14.15 Favored 'General case' 0 CA--C 1.572 1.794 0 CA-C-N 113.872 -1.513 . . . . 0.0 110.324 170.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 91.84 27.91 15.41 Favored Glycine 0 CA--C 1.554 2.5 0 N-CA-C 117.01 1.564 . . . . 0.0 117.01 -176.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.466 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 44.2 t -107.38 11.44 29.01 Favored 'General case' 0 CA--C 1.566 1.59 0 N-CA-C 115.504 1.668 . . . . 0.0 115.504 174.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.8 t -50.13 -22.86 1.84 Allowed 'General case' 0 CA--C 1.577 2.017 0 N-CA-C 116.567 2.062 . . . . 0.0 116.567 147.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.2 p -110.55 28.74 8.37 Favored 'General case' 0 CA--C 1.557 1.218 0 N-CA-C 116.327 1.973 . . . . 0.0 116.327 165.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.412 ' HB2' ' SG ' ' A' ' 16' ' ' CYS . . . -69.29 156.58 38.54 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-O 123.873 1.797 . . . . 0.0 111.306 146.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 99.6 p -88.17 -37.1 16.44 Favored 'General case' 0 CA--C 1.557 1.236 0 N-CA-C 118.069 2.618 . . . . 0.0 118.069 -176.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 10.4 p -52.86 -23.79 7.75 Favored 'General case' 0 N--CA 1.506 2.338 0 N-CA-C 118.067 2.618 . . . . 0.0 118.067 156.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.3 m -72.12 -25.66 61.82 Favored 'General case' 0 CA--C 1.554 1.131 0 N-CA-C 118.309 2.707 . . . . 0.0 118.309 167.397 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 46.8 mm-40 -76.64 -34.31 58.3 Favored 'General case' 0 CA--C 1.563 1.452 0 N-CA-C 118.14 2.644 . . . . 0.0 118.14 173.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.0 tpp180 -158.51 165.7 33.92 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-O 123.565 1.65 . . . . 0.0 107.832 -157.04 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.842 0 O-C-N 116.87 -3.644 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.419 ' HA ' HD23 ' A' ' 2' ' ' HYP 0.251 32.8 p80 . . . . . 0 N--CA 1.481 1.119 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' HYP . . . . . 0.419 HD23 ' HA ' ' A' ' 1' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.2 t -77.46 -29.84 52.96 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 114.906 1.447 . . . . 0.0 114.906 178.336 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 12.0 m -99.5 94.89 6.65 Favored 'General case' 0 C--N 1.353 0.722 0 N-CA-C 105.088 -2.19 . . . . 0.0 105.088 166.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.5 tp -106.83 131.44 53.93 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 103.528 -2.767 . . . . 0.0 103.528 175.464 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 64.74 23.04 12.68 Favored 'General case' 0 CA--C 1.587 2.377 0 CA-C-N 111.466 -2.606 . . . . 0.0 115.158 -171.091 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.71 -19.41 9.33 Favored Glycine 0 CA--C 1.537 1.417 0 N-CA-C 121.853 3.501 . . . . 0.0 121.853 -157.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -117.34 154.43 31.28 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 125.811 2.719 . . . . 0.0 110.233 -152.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.5 t -85.65 100.73 12.17 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 108.949 -3.751 . . . . 0.0 111.958 -158.046 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -104.84 148.28 26.82 Favored 'General case' 0 CA--C 1.551 1.019 0 CA-C-O 123.601 1.667 . . . . 0.0 110.256 -176.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 -90.41 61.19 4.91 Favored 'General case' 0 CA--C 1.558 1.253 0 CA-C-N 112.475 -2.148 . . . . 0.0 114.919 -164.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -86.96 163.05 17.32 Favored 'General case' 0 CA--C 1.565 1.553 0 CA-C-N 114.47 -1.241 . . . . 0.0 111.64 169.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.22 21.17 18.36 Favored Glycine 0 CA--C 1.556 2.62 0 N-CA-C 117.789 1.875 . . . . 0.0 117.789 -176.025 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.506 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 37.9 t -100.61 11.0 40.43 Favored 'General case' 0 CA--C 1.57 1.728 0 N-CA-C 115.797 1.777 . . . . 0.0 115.797 172.503 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.0 t -49.85 -20.03 0.79 Allowed 'General case' 0 CA--C 1.575 1.94 0 N-CA-C 116.648 2.092 . . . . 0.0 116.648 146.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.1 p -112.23 29.0 8.27 Favored 'General case' 0 CA--C 1.558 1.282 0 N-CA-C 116.515 2.043 . . . . 0.0 116.515 163.514 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.418 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . -70.91 157.77 37.6 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-O 123.889 1.804 . . . . 0.0 111.186 145.186 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.2 p -89.05 -36.73 15.61 Favored 'General case' 0 CA--C 1.555 1.171 0 N-CA-C 118.133 2.642 . . . . 0.0 118.133 -176.302 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.7 p -53.42 -23.24 9.32 Favored 'General case' 0 N--CA 1.506 2.348 0 N-CA-C 118.191 2.663 . . . . 0.0 118.191 156.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 25.5 m -72.49 -26.45 61.79 Favored 'General case' 0 CA--C 1.557 1.232 0 N-CA-C 117.597 2.443 . . . . 0.0 117.597 168.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 51.5 mm-40 -74.91 -34.73 62.19 Favored 'General case' 0 CA--C 1.564 1.487 0 N-CA-C 118.317 2.71 . . . . 0.0 118.317 173.127 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 -157.62 163.99 37.7 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-O 123.542 1.639 . . . . 0.0 107.447 -156.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.886 0 O-C-N 116.828 -3.67 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.426 ' HA ' HD23 ' A' ' 2' ' ' HYP . 32.4 p80 . . . . . 0 N--CA 1.481 1.101 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' HYP . . . . . 0.426 HD23 ' HA ' ' A' ' 1' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.1 t -77.92 -29.17 49.93 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 114.986 1.476 . . . . 0.0 114.986 178.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 13.0 m -99.81 94.93 6.58 Favored 'General case' 0 C--N 1.353 0.74 0 N-CA-C 104.99 -2.226 . . . . 0.0 104.99 165.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.5 tp -106.62 131.6 53.58 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 103.508 -2.775 . . . . 0.0 103.508 175.383 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 64.68 23.44 12.78 Favored 'General case' 0 CA--C 1.586 2.351 0 CA-C-N 111.445 -2.616 . . . . 0.0 115.135 -171.133 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.37 -19.33 8.67 Favored Glycine 0 CA--C 1.535 1.323 0 N-CA-C 121.88 3.512 . . . . 0.0 121.88 -157.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -118.82 154.86 32.18 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 125.843 2.735 . . . . 0.0 110.092 -151.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.5 t -86.05 100.99 12.55 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 108.992 -3.731 . . . . 0.0 111.916 -156.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -103.69 143.55 32.63 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 113.553 -1.658 . . . . 0.0 109.622 -177.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.1 ppt_? -89.53 61.85 5.7 Favored 'General case' 0 CA--C 1.563 1.48 0 CA-C-N 113.451 -1.704 . . . . 0.0 114.203 -168.129 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -80.4 162.96 24.2 Favored 'General case' 0 CA--C 1.566 1.576 0 CA-C-N 114.462 -1.245 . . . . 0.0 111.958 165.293 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.34 21.04 18.41 Favored Glycine 0 CA--C 1.556 2.624 0 N-CA-C 117.787 1.875 . . . . 0.0 117.787 -176.026 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.498 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 37.5 t -100.97 11.49 39.52 Favored 'General case' 0 CA--C 1.571 1.766 0 N-CA-C 115.718 1.747 . . . . 0.0 115.718 172.561 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.0 p -49.07 -19.53 0.43 Allowed 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 117.286 2.328 . . . . 0.0 117.286 145.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.2 p -113.49 29.66 7.82 Favored 'General case' 0 CA--C 1.558 1.276 0 N-CA-C 116.321 1.971 . . . . 0.0 116.321 163.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.427 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . -71.22 157.54 37.96 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-O 124.007 1.86 . . . . 0.0 111.109 144.585 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.6 p -88.88 -37.0 15.65 Favored 'General case' 0 CA--C 1.555 1.146 0 N-CA-C 118.009 2.596 . . . . 0.0 118.009 -175.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.7 p -53.12 -23.69 8.65 Favored 'General case' 0 N--CA 1.507 2.387 0 N-CA-C 118.22 2.674 . . . . 0.0 118.22 156.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 23.4 m -73.03 -28.63 62.46 Favored 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 117.995 2.591 . . . . 0.0 117.995 169.053 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 55.2 mm-40 -63.98 -30.64 71.7 Favored 'General case' 0 CA--C 1.568 1.668 0 N-CA-C 116.862 2.171 . . . . 0.0 116.862 167.55 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.6 tpp85 -49.5 -26.84 3.71 Favored 'General case' 0 CA--C 1.576 1.977 0 N-CA-C 117.913 2.56 . . . . 0.0 117.913 163.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.004 0 O-C-N 116.536 -3.853 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.423 ' HA ' HD23 ' A' ' 2' ' ' HYP . 33.0 p80 . . . . . 0 N--CA 1.481 1.118 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' HYP . . . . . 0.423 HD23 ' HA ' ' A' ' 1' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.411 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 7.8 t -81.22 -22.34 38.87 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 115.339 1.607 . . . . 0.0 115.339 179.121 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 10.2 m -102.54 96.07 6.66 Favored 'General case' 0 C--N 1.353 0.719 0 N-CA-C 105.26 -2.126 . . . . 0.0 105.26 161.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.6 tp -108.72 131.27 55.09 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 103.457 -2.794 . . . . 0.0 103.457 174.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 64.13 23.94 13.32 Favored 'General case' 0 CA--C 1.588 2.405 0 CA-C-N 111.648 -2.524 . . . . 0.0 115.068 -171.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.82 -19.61 7.32 Favored Glycine 0 CA--C 1.538 1.502 0 N-CA-C 122.034 3.573 . . . . 0.0 122.034 -157.446 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -117.89 156.93 27.58 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-O 125.815 2.721 . . . . 0.0 110.638 -152.228 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.5 t -85.64 104.47 15.41 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 109.13 -3.668 . . . . 0.0 113.048 -154.035 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -91.97 147.65 22.8 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 113.009 -1.905 . . . . 0.0 110.63 -173.25 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.39 59.0 3.76 Favored 'General case' 0 CA--C 1.563 1.454 0 CA-C-N 113.292 -1.776 . . . . 0.0 114.648 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -91.46 165.07 13.57 Favored 'General case' 0 CA--C 1.57 1.722 0 C-N-CA 124.668 1.187 . . . . 0.0 111.761 168.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 96.62 20.24 25.08 Favored Glycine 0 CA--C 1.556 2.596 0 N-CA-C 117.852 1.901 . . . . 0.0 117.852 -177.008 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.504 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 38.3 t -100.68 11.12 40.19 Favored 'General case' 0 CA--C 1.571 1.765 0 N-CA-C 115.772 1.767 . . . . 0.0 115.772 172.711 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.0 p -49.33 -18.67 0.4 Allowed 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 117.295 2.331 . . . . 0.0 117.295 146.073 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.0 p -114.64 30.0 7.63 Favored 'General case' 0 CA--C 1.559 1.291 0 N-CA-C 116.317 1.969 . . . . 0.0 116.317 163.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.412 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . -71.04 157.31 38.43 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-O 123.927 1.822 . . . . 0.0 111.035 144.64 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.2 p -89.25 -36.58 15.52 Favored 'General case' 0 CA--C 1.554 1.128 0 N-CA-C 118.18 2.659 . . . . 0.0 118.18 -176.059 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 16.6 p -53.28 -23.75 9.79 Favored 'General case' 0 N--CA 1.505 2.282 0 N-CA-C 118.186 2.661 . . . . 0.0 118.186 156.576 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 24.8 m -71.94 -25.32 61.84 Favored 'General case' 0 CA--C 1.557 1.235 0 N-CA-C 117.687 2.477 . . . . 0.0 117.687 168.353 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 51.8 mm-40 -75.55 -36.72 60.37 Favored 'General case' 0 CA--C 1.563 1.446 0 N-CA-C 118.01 2.596 . . . . 0.0 118.01 173.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -112.25 78.0 1.09 Allowed 'General case' 0 N--CA 1.496 1.857 0 CA-C-N 118.848 0.749 . . . . 0.0 110.282 -164.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.052 0 O-C-N 117.068 -3.52 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 27.8 p80 . . . . . 0 N--CA 1.482 1.13 0 N-CA-C 114.051 1.13 . . . . 0.0 114.051 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.425 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 8.5 t -79.68 -26.54 40.94 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 115.111 1.523 . . . . 0.0 115.111 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 13.3 m -96.79 91.06 5.49 Favored 'General case' 0 C--N 1.354 0.797 0 N-CA-C 105.17 -2.159 . . . . 0.0 105.17 162.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 21.6 tp -104.76 134.11 48.45 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 102.868 -3.012 . . . . 0.0 102.868 175.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 63.81 21.53 12.69 Favored 'General case' 0 CA--C 1.589 2.458 0 CA-C-N 112.511 -2.131 . . . . 0.0 115.455 -171.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.9 -23.7 6.6 Favored Glycine 0 CA--C 1.528 0.892 0 N-CA-C 122.011 3.564 . . . . 0.0 122.011 -158.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -117.6 167.51 11.26 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 126.015 2.817 . . . . 0.0 110.05 -150.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.0 t -93.83 91.3 6.89 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 109.808 -3.36 . . . . 0.0 111.262 -160.062 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.74 145.46 25.18 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 112.78 -2.009 . . . . 0.0 109.334 171.62 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -93.08 65.92 4.05 Favored 'General case' 0 CA--C 1.56 1.357 0 CA-C-N 113.185 -1.825 . . . . 0.0 111.787 -177.25 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -79.09 162.5 25.81 Favored 'General case' 0 CA--C 1.571 1.785 0 CA-C-N 113.928 -1.487 . . . . 0.0 110.794 163.279 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 94.84 28.16 10.44 Favored Glycine 0 CA--C 1.554 2.525 0 N-CA-C 117.089 1.596 . . . . 0.0 117.089 -174.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.489 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 38.8 t -109.84 12.75 23.82 Favored 'General case' 0 CA--C 1.569 1.676 0 C-N-CA 126.035 1.734 . . . . 0.0 115.27 173.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 68.8 m -51.78 -18.63 1.32 Allowed 'General case' 0 N--CA 1.499 1.975 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 147.353 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.1 p -112.4 29.17 8.14 Favored 'General case' 0 CA--C 1.558 1.266 0 N-CA-C 116.399 2.0 . . . . 0.0 116.399 163.21 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.424 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . -70.8 157.12 38.62 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-O 123.927 1.822 . . . . 0.0 111.227 145.714 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 99.0 p -88.66 -36.83 16.02 Favored 'General case' 0 CA--C 1.555 1.161 0 N-CA-C 118.164 2.653 . . . . 0.0 118.164 -176.092 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.8 p -53.39 -22.98 8.49 Favored 'General case' 0 N--CA 1.505 2.302 0 N-CA-C 118.044 2.609 . . . . 0.0 118.044 156.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.2 m -72.61 -26.34 61.64 Favored 'General case' 0 CA--C 1.555 1.167 0 N-CA-C 117.938 2.57 . . . . 0.0 117.938 168.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -74.66 -36.6 62.83 Favored 'General case' 0 CA--C 1.56 1.359 0 N-CA-C 117.835 2.531 . . . . 0.0 117.835 173.23 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 59.1 ttm-85 -150.33 140.04 21.7 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 107.069 -1.456 . . . . 0.0 107.069 -161.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.904 0 O-C-N 117.982 -2.948 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 33.8 p80 . . . . . 0 N--CA 1.481 1.107 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 8.4 t -79.71 -28.44 40.6 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 114.891 1.441 . . . . 0.0 114.891 178.079 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 15.0 m -98.05 91.39 5.27 Favored 'General case' 0 C--N 1.355 0.838 0 N-CA-C 105.487 -2.042 . . . . 0.0 105.487 165.187 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.6 tp -104.33 128.4 52.13 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 103.868 -2.641 . . . . 0.0 103.868 176.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 63.99 24.91 13.74 Favored 'General case' 0 CA--C 1.586 2.327 0 CA-C-N 111.607 -2.542 . . . . 0.0 115.283 -170.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.77 -20.73 7.37 Favored Glycine 0 CA--C 1.538 1.489 0 N-CA-C 121.942 3.537 . . . . 0.0 121.942 -157.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -119.98 158.53 26.55 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-O 125.619 2.628 . . . . 0.0 110.142 -152.107 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.9 t -86.73 100.47 12.51 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 109.504 -3.498 . . . . 0.0 113.408 -151.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.78 146.71 30.84 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 112.173 -2.285 . . . . 0.0 110.921 178.555 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 -100.18 61.62 1.08 Allowed 'General case' 0 CA--C 1.561 1.368 0 CA-C-N 113.46 -1.7 . . . . 0.0 112.239 -177.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -92.4 166.51 12.52 Favored 'General case' 0 CA--C 1.568 1.638 0 C-N-CA 125.487 1.515 . . . . 0.0 111.377 172.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 97.51 21.61 18.97 Favored Glycine 0 CA--C 1.555 2.556 0 N-CA-C 117.897 1.919 . . . . 0.0 117.897 -176.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.507 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 41.7 t -103.76 11.14 36.2 Favored 'General case' 0 CA--C 1.571 1.78 0 N-CA-C 115.609 1.707 . . . . 0.0 115.609 172.343 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.3 m -51.29 -17.05 0.62 Allowed 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 116.657 2.095 . . . . 0.0 116.657 148.252 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 51.9 p -116.22 31.3 6.81 Favored 'General case' 0 CA--C 1.559 1.297 0 N-CA-C 116.124 1.898 . . . . 0.0 116.124 162.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.422 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . -71.24 156.8 39.13 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-O 123.995 1.855 . . . . 0.0 111.001 143.611 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.3 p -89.11 -36.63 15.62 Favored 'General case' 0 CA--C 1.554 1.126 0 N-CA-C 118.094 2.628 . . . . 0.0 118.094 -176.036 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.1 p -52.71 -24.18 8.15 Favored 'General case' 0 N--CA 1.504 2.274 0 N-CA-C 118.365 2.728 . . . . 0.0 118.365 156.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 23.2 m -72.06 -26.4 62.16 Favored 'General case' 0 CA--C 1.555 1.173 0 N-CA-C 117.736 2.495 . . . . 0.0 117.736 168.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -74.17 -36.88 64.1 Favored 'General case' 0 CA--C 1.56 1.356 0 N-CA-C 117.861 2.541 . . . . 0.0 117.861 172.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -149.41 139.68 22.27 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 107.011 -1.478 . . . . 0.0 107.011 -161.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.932 0 O-C-N 117.999 -2.938 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 33.1 p80 . . . . . 0 N--CA 1.481 1.118 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 8.5 t -79.25 -28.59 42.43 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 177.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 14.7 m -97.69 91.7 5.52 Favored 'General case' 0 C--N 1.354 0.799 0 N-CA-C 105.448 -2.056 . . . . 0.0 105.448 165.019 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 20.2 tp -104.68 128.08 52.63 Favored 'General case' 0 N--CA 1.443 -0.802 0 N-CA-C 103.863 -2.643 . . . . 0.0 103.863 177.117 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 63.95 25.04 13.82 Favored 'General case' 0 CA--C 1.586 2.343 0 CA-C-N 111.524 -2.58 . . . . 0.0 115.242 -170.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.86 -20.96 7.12 Favored Glycine 0 CA--C 1.538 1.501 0 N-CA-C 121.949 3.54 . . . . 0.0 121.949 -157.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -119.34 158.51 25.97 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 125.653 2.644 . . . . 0.0 110.222 -152.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.9 t -86.63 103.21 14.89 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 109.451 -3.522 . . . . 0.0 113.214 -152.18 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.1 147.24 28.22 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 112.274 -2.239 . . . . 0.0 110.894 -179.562 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.3 ppt_? -94.51 58.73 2.42 Favored 'General case' 0 CA--C 1.563 1.455 0 CA-C-N 113.207 -1.815 . . . . 0.0 114.278 178.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -92.8 166.01 12.64 Favored 'General case' 0 CA--C 1.57 1.737 0 C-N-CA 124.936 1.294 . . . . 0.0 111.898 171.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 96.2 20.79 24.49 Favored Glycine 0 CA--C 1.556 2.597 0 N-CA-C 117.873 1.909 . . . . 0.0 117.873 -176.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.502 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 41.7 t -102.33 11.14 38.55 Favored 'General case' 0 CA--C 1.57 1.741 0 N-CA-C 115.655 1.724 . . . . 0.0 115.655 172.505 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.1 m -50.95 -17.32 0.56 Allowed 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 116.679 2.103 . . . . 0.0 116.679 147.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 51.9 p -116.34 31.25 6.84 Favored 'General case' 0 CA--C 1.558 1.269 0 N-CA-C 116.155 1.909 . . . . 0.0 116.155 162.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.419 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . -71.22 156.78 39.15 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-O 123.927 1.822 . . . . 0.0 111.044 143.722 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.3 p -89.15 -36.46 15.68 Favored 'General case' 0 CA--C 1.555 1.155 0 N-CA-C 118.183 2.66 . . . . 0.0 118.183 -176.156 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.5 p -52.97 -24.01 8.49 Favored 'General case' 0 N--CA 1.505 2.324 0 N-CA-C 118.304 2.705 . . . . 0.0 118.304 156.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 23.2 m -71.94 -26.51 62.32 Favored 'General case' 0 CA--C 1.556 1.19 0 N-CA-C 117.645 2.461 . . . . 0.0 117.645 168.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 49.1 mm-40 -74.62 -36.54 62.94 Favored 'General case' 0 CA--C 1.561 1.373 0 N-CA-C 117.979 2.585 . . . . 0.0 117.979 172.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 33.4 ttp-105 -148.39 139.62 23.32 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 -160.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.921 0 O-C-N 117.958 -2.964 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.424 ' HA ' HD23 ' A' ' 2' ' ' HYP . 32.4 p80 . . . . . 0 N--CA 1.481 1.108 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' HYP . . . . . 0.424 HD23 ' HA ' ' A' ' 1' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.2 t -77.24 -30.5 54.55 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 178.495 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 13.7 m -99.4 94.63 6.53 Favored 'General case' 0 C--N 1.353 0.738 0 N-CA-C 105.236 -2.135 . . . . 0.0 105.236 166.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.7 tp -106.77 131.48 53.84 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 103.45 -2.796 . . . . 0.0 103.45 175.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 64.5 24.35 13.08 Favored 'General case' 0 CA--C 1.587 2.375 0 CA-C-N 111.46 -2.609 . . . . 0.0 115.03 -170.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.79 -18.46 9.06 Favored Glycine 0 CA--C 1.537 1.429 0 N-CA-C 121.768 3.467 . . . . 0.0 121.768 -157.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -119.36 157.18 28.68 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 126.189 2.9 . . . . 0.0 110.9 -151.472 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.8 t -86.61 97.34 10.48 Favored 'General case' 0 C--N 1.321 -0.663 1 CA-C-N 108.149 -4.114 . . . . 0.0 111.866 -156.606 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -104.49 139.56 39.23 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 113.246 -1.797 . . . . 0.0 109.435 -178.177 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -93.5 67.6 4.01 Favored 'General case' 0 CA--C 1.559 1.292 0 CA-C-N 113.726 -1.579 . . . . 0.0 112.607 -165.224 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -78.19 163.98 25.33 Favored 'General case' 0 CA--C 1.566 1.568 0 CA-C-N 113.639 -1.619 . . . . 0.0 111.658 162.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.73 20.61 16.37 Favored Glycine 0 CA--C 1.556 2.645 0 N-CA-C 117.911 1.924 . . . . 0.0 117.911 -175.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.51 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 38.8 t -101.12 11.73 38.95 Favored 'General case' 0 CA--C 1.571 1.781 0 N-CA-C 115.745 1.757 . . . . 0.0 115.745 172.48 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.3 p -49.29 -19.15 0.45 Allowed 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 117.255 2.317 . . . . 0.0 117.255 145.342 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.2 p -112.91 29.06 8.27 Favored 'General case' 0 CA--C 1.558 1.269 0 N-CA-C 116.406 2.002 . . . . 0.0 116.406 163.445 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.441 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . -71.06 157.69 37.76 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-O 123.964 1.84 . . . . 0.0 111.154 145.293 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.2 p -88.79 -36.71 15.92 Favored 'General case' 0 CA--C 1.554 1.131 0 N-CA-C 118.13 2.641 . . . . 0.0 118.13 -176.433 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.3 p -52.95 -23.86 8.12 Favored 'General case' 0 N--CA 1.504 2.262 0 N-CA-C 118.197 2.666 . . . . 0.0 118.197 156.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 23.0 m -72.46 -25.09 61.31 Favored 'General case' 0 CA--C 1.557 1.222 0 N-CA-C 117.872 2.545 . . . . 0.0 117.872 168.642 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 53.1 mm-40 -75.54 -36.89 60.38 Favored 'General case' 0 CA--C 1.562 1.419 0 N-CA-C 117.892 2.553 . . . . 0.0 117.892 174.422 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 45.1 tpt85 -113.35 78.48 1.14 Allowed 'General case' 0 CA--C 1.572 1.826 0 CA-C-N 118.906 0.776 . . . . 0.0 110.467 -164.63 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.092 0 O-C-N 117.2 -3.438 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 31.1 p80 . . . . . 0 N--CA 1.481 1.087 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.3 t -73.25 -40.96 64.21 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 117.266 -1.35 . . . . 0.0 113.799 174.561 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 13.4 m -93.49 95.82 9.5 Favored 'General case' 0 C--N 1.358 0.955 0 N-CA-C 105.387 -2.079 . . . . 0.0 105.387 172.129 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 21.1 tp -107.69 128.78 54.87 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 103.323 -2.843 . . . . 0.0 103.323 178.221 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 63.73 24.48 13.86 Favored 'General case' 0 CA--C 1.584 2.269 0 CA-C-N 111.283 -2.689 . . . . 0.0 115.375 -170.393 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.37 -19.87 12.61 Favored Glycine 0 CA--C 1.538 1.497 0 N-CA-C 121.833 3.493 . . . . 0.0 121.833 -159.344 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -116.53 154.98 29.45 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-O 125.484 2.564 . . . . 0.0 111.207 -152.425 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.9 t -86.83 99.49 11.86 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 109.416 -3.538 . . . . 0.0 113.525 -154.406 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.6 mtt-85 -90.84 168.7 11.52 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 124.959 2.314 . . . . 0.0 111.611 -178.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.97 52.35 0.72 Allowed 'General case' 0 CA--C 1.558 1.281 0 CA-C-N 109.94 -3.3 . . . . 0.0 115.103 -169.043 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -92.88 165.03 13.1 Favored 'General case' 0 CA--C 1.567 1.629 0 C-N-CA 124.668 1.187 . . . . 0.0 111.662 174.391 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.9 19.53 28.72 Favored Glycine 0 CA--C 1.556 2.628 0 N-CA-C 117.973 1.949 . . . . 0.0 117.973 -176.524 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.491 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 40.3 t -98.84 9.01 44.35 Favored 'General case' 0 CA--C 1.57 1.734 0 N-CA-C 115.913 1.819 . . . . 0.0 115.913 173.016 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.6 p -49.2 -20.8 0.66 Allowed 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 117.238 2.31 . . . . 0.0 117.238 146.514 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.2 p -113.17 30.19 7.39 Favored 'General case' 0 CA--C 1.558 1.275 0 N-CA-C 116.162 1.912 . . . . 0.0 116.162 163.482 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.65 156.53 39.34 Favored 'General case' 0 CA--C 1.548 0.865 0 CA-C-O 123.979 1.847 . . . . 0.0 110.92 144.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.2 p -88.51 -36.31 16.49 Favored 'General case' 0 CA--C 1.556 1.189 0 N-CA-C 118.137 2.643 . . . . 0.0 118.137 -176.145 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.1 p -52.35 -25.01 8.6 Favored 'General case' 0 N--CA 1.504 2.258 0 N-CA-C 118.254 2.687 . . . . 0.0 118.254 156.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 22.4 m -72.13 -25.85 61.89 Favored 'General case' 0 CA--C 1.555 1.156 0 N-CA-C 117.987 2.588 . . . . 0.0 117.987 169.002 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -74.63 -36.67 62.91 Favored 'General case' 0 CA--C 1.56 1.353 0 N-CA-C 117.75 2.5 . . . . 0.0 117.75 172.316 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.3 tpp180 -151.43 140.69 21.35 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 107.397 -1.334 . . . . 0.0 107.397 -161.432 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.926 0 O-C-N 118.053 -2.905 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 30.2 p80 . . . . . 0 N--CA 1.482 1.129 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.711 ' SG ' ' CB ' ' A' ' 19' ' ' ALA . 5.4 t -66.21 -41.77 89.69 Favored 'General case' 0 N--CA 1.485 1.302 0 CA-C-O 117.912 -1.042 . . . . 0.0 113.79 178.292 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 22.9 m -103.67 100.19 10.01 Favored 'General case' 0 C--N 1.351 0.661 0 N-CA-C 105.171 -2.159 . . . . 0.0 105.171 171.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 20.5 tp -103.8 131.7 50.75 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 104.001 -2.592 . . . . 0.0 104.001 175.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 65.33 21.96 12.0 Favored 'General case' 0 CA--C 1.582 2.2 0 CA-C-N 111.314 -2.675 . . . . 0.0 115.468 -171.562 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.37 -15.41 34.86 Favored Glycine 0 CA--C 1.535 1.331 0 N-CA-C 121.501 3.361 . . . . 0.0 121.501 -157.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -123.24 157.66 32.61 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 126.287 2.946 . . . . 0.0 110.477 -151.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.1 t -89.21 102.24 14.9 Favored 'General case' 0 C--N 1.318 -0.77 1 CA-C-N 108.191 -4.095 . . . . 0.0 111.834 -154.747 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -113.1 149.01 34.11 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-O 123.599 1.666 . . . . 0.0 110.114 -175.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.53 ' H ' ' HD3' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -90.87 58.79 3.93 Favored 'General case' 0 CA--C 1.558 1.275 0 CA-C-N 112.638 -2.073 . . . . 0.0 115.879 -163.83 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -83.02 163.76 20.77 Favored 'General case' 0 CA--C 1.567 1.609 0 CA-C-N 114.45 -1.25 . . . . 0.0 111.471 164.044 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.08 19.2 31.54 Favored Glycine 0 CA--C 1.559 2.838 0 N-CA-C 118.801 2.28 . . . . 0.0 118.801 -176.228 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.442 ' O ' ' SG ' ' A' ' 22' ' ' CYS . 23.2 t -95.48 -2.32 48.98 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 126.352 1.861 . . . . 0.0 115.575 171.634 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.8 t -56.11 -29.01 60.02 Favored 'General case' 0 CA--C 1.573 1.834 0 N-CA-C 116.072 1.879 . . . . 0.0 116.072 153.599 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 59.7 p -87.8 7.32 31.01 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 118.076 2.621 . . . . 0.0 118.076 165.335 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.711 ' CB ' ' SG ' ' A' ' 4' ' ' CYS . . . -68.48 163.93 22.28 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 123.882 1.801 . . . . 0.0 112.938 156.061 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.4 p -87.57 -36.95 17.25 Favored 'General case' 0 CA--C 1.552 1.044 0 N-CA-C 118.159 2.652 . . . . 0.0 118.159 -172.4 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.0 p -52.72 -25.13 10.17 Favored 'General case' 0 N--CA 1.507 2.395 0 N-CA-C 118.362 2.727 . . . . 0.0 118.362 158.051 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.442 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 18.0 m -73.12 -26.47 61.24 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 118.369 2.729 . . . . 0.0 118.369 169.706 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 57.9 mm-40 -68.04 -44.49 76.33 Favored 'General case' 0 CA--C 1.564 1.51 0 N-CA-C 115.566 1.691 . . . . 0.0 115.566 173.265 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.5 ttp-105 50.27 58.95 4.93 Favored 'General case' 0 N--CA 1.506 2.352 0 CA-C-N 120.012 1.278 . . . . 0.0 114.228 161.118 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.275 0 O-C-N 116.661 -3.774 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.9 t . . . . . 0 N--CA 1.474 0.752 0 CA-C-O 117.23 -1.367 . . . . 0.0 114.638 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 13.3 m -98.36 95.56 7.43 Favored 'General case' 0 C--N 1.355 0.827 0 N-CA-C 105.113 -2.181 . . . . 0.0 105.113 168.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.9 tp -108.04 132.07 53.93 Favored 'General case' 0 N--CA 1.442 -0.868 0 N-CA-C 103.065 -2.939 . . . . 0.0 103.065 175.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 65.03 23.56 12.51 Favored 'General case' 0 CA--C 1.589 2.446 0 CA-C-N 111.567 -2.56 . . . . 0.0 114.957 -171.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.84 -17.81 10.51 Favored Glycine 0 CA--C 1.537 1.456 0 N-CA-C 121.886 3.515 . . . . 0.0 121.886 -157.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -121.34 158.24 28.67 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 126.048 2.832 . . . . 0.0 111.343 -151.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.2 t -88.89 96.79 10.84 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 108.416 -3.993 . . . . 0.0 112.51 -154.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -99.44 149.31 23.32 Favored 'General case' 0 CA--C 1.55 0.958 0 CA-C-N 113.017 -1.902 . . . . 0.0 110.6 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.531 ' HD3' ' H ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -93.19 60.94 3.29 Favored 'General case' 0 CA--C 1.558 1.25 0 CA-C-N 111.977 -2.374 . . . . 0.0 114.481 -165.593 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 . . . . . 0 CA--C 1.565 1.551 0 CA-C-N 114.439 -1.255 . . . . 0.0 111.609 169.431 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.556 2.642 0 N-CA-C 117.93 1.932 . . . . 0.0 117.93 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.503 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 39.2 t -99.71 10.64 40.99 Favored 'General case' 0 CA--C 1.571 1.77 0 N-CA-C 115.811 1.782 . . . . 0.0 115.811 172.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.2 p -48.97 -20.15 0.48 Allowed 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 117.261 2.319 . . . . 0.0 117.261 146.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.3 p -113.24 30.29 7.31 Favored 'General case' 0 CA--C 1.558 1.27 0 N-CA-C 116.226 1.936 . . . . 0.0 116.226 163.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.425 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . -71.57 157.03 38.72 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-O 123.991 1.853 . . . . 0.0 111.023 144.324 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.1 p -88.33 -36.78 16.43 Favored 'General case' 0 CA--C 1.554 1.123 0 N-CA-C 118.097 2.629 . . . . 0.0 118.097 -176.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.2 p -52.77 -23.86 7.68 Favored 'General case' 0 N--CA 1.505 2.29 0 N-CA-C 118.339 2.718 . . . . 0.0 118.339 156.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.8 m -72.91 -28.04 62.23 Favored 'General case' 0 CA--C 1.553 1.061 0 N-CA-C 118.094 2.627 . . . . 0.0 118.094 169.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -65.42 -47.33 76.64 Favored 'General case' 0 CA--C 1.558 1.286 0 C-N-CA 126.458 1.903 . . . . 0.0 115.231 170.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.283 70.2 ttp85 . . . . . 0 CA--C 1.57 1.746 0 N-CA-C 118.338 2.718 . . . . 0.0 118.338 164.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.5 t . . . . . 0 N--CA 1.473 0.685 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 14.2 m -96.73 90.56 5.33 Favored 'General case' 0 C--N 1.355 0.81 0 N-CA-C 105.25 -2.13 . . . . 0.0 105.25 166.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.1 tp -104.25 129.75 52.06 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 103.697 -2.705 . . . . 0.0 103.697 177.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 64.25 24.71 13.41 Favored 'General case' 0 CA--C 1.586 2.355 0 CA-C-N 111.38 -2.645 . . . . 0.0 115.072 -170.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.3 -21.15 6.26 Favored Glycine 0 CA--C 1.536 1.353 0 N-CA-C 121.833 3.493 . . . . 0.0 121.833 -157.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -118.01 155.4 30.36 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 125.885 2.755 . . . . 0.0 109.971 -151.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.3 t -86.06 100.43 12.16 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 108.906 -3.77 . . . . 0.0 111.775 -157.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.9 ptp180 -103.58 143.16 33.11 Favored 'General case' 0 CA--C 1.552 1.023 0 CA-C-N 113.582 -1.644 . . . . 0.0 109.931 -177.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.37 62.37 6.61 Favored 'General case' 0 CA--C 1.561 1.385 0 CA-C-N 113.479 -1.691 . . . . 0.0 114.327 -168.102 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 . . . . . 0 CA--C 1.567 1.616 0 CA-C-N 114.202 -1.363 . . . . 0.0 111.825 165.393 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.556 2.631 0 N-CA-C 117.787 1.875 . . . . 0.0 117.787 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.51 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 37.8 t -100.61 10.71 40.81 Favored 'General case' 0 CA--C 1.571 1.759 0 N-CA-C 115.742 1.756 . . . . 0.0 115.742 172.498 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.0 p -49.0 -19.67 0.43 Allowed 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 117.304 2.335 . . . . 0.0 117.304 146.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.2 p -113.81 29.58 7.9 Favored 'General case' 0 CA--C 1.558 1.28 0 N-CA-C 116.34 1.978 . . . . 0.0 116.34 163.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.416 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . -70.88 157.44 38.13 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-O 123.9 1.81 . . . . 0.0 111.181 144.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.8 p -88.71 -37.34 15.59 Favored 'General case' 0 CA--C 1.556 1.18 0 N-CA-C 118.004 2.594 . . . . 0.0 118.004 -176.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.2 p -53.13 -23.43 8.07 Favored 'General case' 0 N--CA 1.506 2.366 0 N-CA-C 118.259 2.688 . . . . 0.0 118.259 156.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 23.3 m -73.0 -28.88 62.63 Favored 'General case' 0 CA--C 1.553 1.094 0 N-CA-C 118.009 2.596 . . . . 0.0 118.009 168.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 54.8 mm-40 -63.87 -30.61 71.68 Favored 'General case' 0 CA--C 1.568 1.672 0 N-CA-C 116.886 2.18 . . . . 0.0 116.886 167.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.7 tpp85 . . . . . 0 CA--C 1.575 1.931 0 N-CA-C 117.935 2.569 . . . . 0.0 117.935 164.013 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.407 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 7.8 t . . . . . 0 N--CA 1.475 0.798 0 N-CA-C 115.359 1.614 . . . . 0.0 115.359 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 10.7 m -102.6 96.03 6.62 Favored 'General case' 0 C--N 1.351 0.669 0 N-CA-C 105.233 -2.136 . . . . 0.0 105.233 161.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.6 tp -108.48 131.31 54.94 Favored 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 103.45 -2.796 . . . . 0.0 103.45 174.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 64.17 23.82 13.26 Favored 'General case' 0 CA--C 1.587 2.394 0 CA-C-N 111.649 -2.523 . . . . 0.0 115.063 -171.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.87 -19.67 7.32 Favored Glycine 0 CA--C 1.539 1.555 0 N-CA-C 122.019 3.568 . . . . 0.0 122.019 -157.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -117.7 156.79 27.63 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 125.763 2.697 . . . . 0.0 110.647 -152.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.6 t -85.76 104.14 15.18 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 109.186 -3.643 . . . . 0.0 112.996 -153.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -91.53 147.41 23.03 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-N 112.924 -1.944 . . . . 0.0 110.543 -173.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 39.8 mtm105 -93.17 62.93 3.58 Favored 'General case' 0 CA--C 1.563 1.454 0 CA-C-N 113.524 -1.671 . . . . 0.0 112.849 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 . . . . . 0 CA--C 1.569 1.698 0 C-N-CA 124.733 1.213 . . . . 0.0 111.545 167.179 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.555 2.589 0 N-CA-C 117.687 1.835 . . . . 0.0 117.687 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.499 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 37.4 t -103.62 12.01 35.42 Favored 'General case' 0 CA--C 1.57 1.746 0 N-CA-C 115.588 1.699 . . . . 0.0 115.588 172.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.0 m -50.63 -18.9 0.77 Allowed 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 116.657 2.095 . . . . 0.0 116.657 147.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.2 p -114.0 30.42 7.28 Favored 'General case' 0 CA--C 1.559 1.3 0 N-CA-C 116.207 1.929 . . . . 0.0 116.207 163.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.418 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . -71.17 157.1 38.74 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-O 123.996 1.855 . . . . 0.0 111.018 144.194 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.4 p -89.0 -37.04 15.49 Favored 'General case' 0 CA--C 1.555 1.163 0 N-CA-C 118.003 2.594 . . . . 0.0 118.003 -175.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 16.9 p -52.97 -24.07 8.63 Favored 'General case' 0 N--CA 1.506 2.335 0 N-CA-C 118.26 2.689 . . . . 0.0 118.26 156.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 23.1 m -72.68 -28.29 62.61 Favored 'General case' 0 CA--C 1.553 1.081 0 N-CA-C 118.106 2.632 . . . . 0.0 118.106 168.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 55.2 mm-40 -64.15 -30.7 71.74 Favored 'General case' 0 CA--C 1.568 1.666 0 N-CA-C 116.861 2.171 . . . . 0.0 116.861 167.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.4 tpp180 . . . . . 0 CA--C 1.576 1.979 0 N-CA-C 117.874 2.546 . . . . 0.0 117.874 164.009 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.3 t . . . . . 0 N--CA 1.475 0.788 0 CA-C-O 116.765 -1.588 . . . . 0.0 114.389 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 11.9 m -88.0 87.83 7.46 Favored 'General case' 0 C--N 1.358 0.972 0 N-CA-C 106.283 -1.747 . . . . 0.0 106.283 167.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 30.1 tp -105.38 129.19 53.76 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 102.858 -3.016 . . . . 0.0 102.858 -178.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 61.56 25.51 15.41 Favored 'General case' 0 CA--C 1.589 2.461 0 CA-C-N 112.018 -2.356 . . . . 0.0 115.443 -169.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.82 -25.38 6.72 Favored Glycine 0 CA--C 1.532 1.13 0 N-CA-C 121.944 3.538 . . . . 0.0 121.944 -161.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -113.2 163.01 15.32 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 125.715 2.674 . . . . 0.0 111.342 -150.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.1 t -90.14 94.41 9.76 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 109.581 -3.463 . . . . 0.0 112.742 -159.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -100.54 149.81 23.33 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 112.362 -2.199 . . . . 0.0 111.303 -163.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 36.7 ptt180 -85.16 55.75 3.64 Favored 'General case' 0 CA--C 1.559 1.321 0 CA-C-N 112.746 -2.025 . . . . 0.0 114.65 -178.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 . . . . . 0 CA--C 1.572 1.794 0 CA-C-N 113.872 -1.513 . . . . 0.0 110.324 170.773 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.554 2.5 0 N-CA-C 117.01 1.564 . . . . 0.0 117.01 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.466 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 44.2 t -107.38 11.44 29.01 Favored 'General case' 0 CA--C 1.566 1.59 0 N-CA-C 115.504 1.668 . . . . 0.0 115.504 174.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.8 t -50.13 -22.86 1.84 Allowed 'General case' 0 CA--C 1.577 2.017 0 N-CA-C 116.567 2.062 . . . . 0.0 116.567 147.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.2 p -110.55 28.74 8.37 Favored 'General case' 0 CA--C 1.557 1.218 0 N-CA-C 116.327 1.973 . . . . 0.0 116.327 165.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.412 ' HB2' ' SG ' ' A' ' 16' ' ' CYS . . . -69.29 156.58 38.54 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-O 123.873 1.797 . . . . 0.0 111.306 146.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 99.6 p -88.17 -37.1 16.44 Favored 'General case' 0 CA--C 1.557 1.236 0 N-CA-C 118.069 2.618 . . . . 0.0 118.069 -176.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 10.4 p -52.86 -23.79 7.75 Favored 'General case' 0 N--CA 1.506 2.338 0 N-CA-C 118.067 2.618 . . . . 0.0 118.067 156.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.3 m -72.12 -25.66 61.82 Favored 'General case' 0 CA--C 1.554 1.131 0 N-CA-C 118.309 2.707 . . . . 0.0 118.309 167.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 46.8 mm-40 -76.64 -34.31 58.3 Favored 'General case' 0 CA--C 1.563 1.452 0 N-CA-C 118.14 2.644 . . . . 0.0 118.14 173.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.0 tpp180 . . . . . 0 N--CA 1.478 0.945 0 CA-C-O 123.565 1.65 . . . . 0.0 107.832 -157.04 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.2 t . . . . . 0 N--CA 1.473 0.709 0 N-CA-C 114.906 1.447 . . . . 0.0 114.906 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 12.0 m -99.5 94.89 6.65 Favored 'General case' 0 C--N 1.353 0.722 0 N-CA-C 105.088 -2.19 . . . . 0.0 105.088 166.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.5 tp -106.83 131.44 53.93 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 103.528 -2.767 . . . . 0.0 103.528 175.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 64.74 23.04 12.68 Favored 'General case' 0 CA--C 1.587 2.377 0 CA-C-N 111.466 -2.606 . . . . 0.0 115.158 -171.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.71 -19.41 9.33 Favored Glycine 0 CA--C 1.537 1.417 0 N-CA-C 121.853 3.501 . . . . 0.0 121.853 -157.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -117.34 154.43 31.28 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 125.811 2.719 . . . . 0.0 110.233 -152.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.5 t -85.65 100.73 12.17 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 108.949 -3.751 . . . . 0.0 111.958 -158.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -104.84 148.28 26.82 Favored 'General case' 0 CA--C 1.551 1.019 0 CA-C-O 123.601 1.667 . . . . 0.0 110.256 -176.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 -90.41 61.19 4.91 Favored 'General case' 0 CA--C 1.558 1.253 0 CA-C-N 112.475 -2.148 . . . . 0.0 114.919 -164.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 . . . . . 0 CA--C 1.565 1.553 0 CA-C-N 114.47 -1.241 . . . . 0.0 111.64 169.989 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.556 2.62 0 N-CA-C 117.789 1.875 . . . . 0.0 117.789 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.506 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 37.9 t -100.61 11.0 40.43 Favored 'General case' 0 CA--C 1.57 1.728 0 N-CA-C 115.797 1.777 . . . . 0.0 115.797 172.503 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.0 t -49.85 -20.03 0.79 Allowed 'General case' 0 CA--C 1.575 1.94 0 N-CA-C 116.648 2.092 . . . . 0.0 116.648 146.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.1 p -112.23 29.0 8.27 Favored 'General case' 0 CA--C 1.558 1.282 0 N-CA-C 116.515 2.043 . . . . 0.0 116.515 163.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.418 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . -70.91 157.77 37.6 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-O 123.889 1.804 . . . . 0.0 111.186 145.186 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.2 p -89.05 -36.73 15.61 Favored 'General case' 0 CA--C 1.555 1.171 0 N-CA-C 118.133 2.642 . . . . 0.0 118.133 -176.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.7 p -53.42 -23.24 9.32 Favored 'General case' 0 N--CA 1.506 2.348 0 N-CA-C 118.191 2.663 . . . . 0.0 118.191 156.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 25.5 m -72.49 -26.45 61.79 Favored 'General case' 0 CA--C 1.557 1.232 0 N-CA-C 117.597 2.443 . . . . 0.0 117.597 168.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 51.5 mm-40 -74.91 -34.73 62.19 Favored 'General case' 0 CA--C 1.564 1.487 0 N-CA-C 118.317 2.71 . . . . 0.0 118.317 173.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 . . . . . 0 N--CA 1.479 0.993 0 CA-C-O 123.542 1.639 . . . . 0.0 107.447 -156.982 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.1 t . . . . . 0 N--CA 1.474 0.755 0 N-CA-C 114.986 1.476 . . . . 0.0 114.986 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 13.0 m -99.81 94.93 6.58 Favored 'General case' 0 C--N 1.353 0.74 0 N-CA-C 104.99 -2.226 . . . . 0.0 104.99 165.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.5 tp -106.62 131.6 53.58 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 103.508 -2.775 . . . . 0.0 103.508 175.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 64.68 23.44 12.78 Favored 'General case' 0 CA--C 1.586 2.351 0 CA-C-N 111.445 -2.616 . . . . 0.0 115.135 -171.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.37 -19.33 8.67 Favored Glycine 0 CA--C 1.535 1.323 0 N-CA-C 121.88 3.512 . . . . 0.0 121.88 -157.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -118.82 154.86 32.18 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 125.843 2.735 . . . . 0.0 110.092 -151.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.5 t -86.05 100.99 12.55 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 108.992 -3.731 . . . . 0.0 111.916 -156.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -103.69 143.55 32.63 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 113.553 -1.658 . . . . 0.0 109.622 -177.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.1 ppt_? -89.53 61.85 5.7 Favored 'General case' 0 CA--C 1.563 1.48 0 CA-C-N 113.451 -1.704 . . . . 0.0 114.203 -168.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 . . . . . 0 CA--C 1.566 1.576 0 CA-C-N 114.462 -1.245 . . . . 0.0 111.958 165.293 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.556 2.624 0 N-CA-C 117.787 1.875 . . . . 0.0 117.787 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.498 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 37.5 t -100.97 11.49 39.52 Favored 'General case' 0 CA--C 1.571 1.766 0 N-CA-C 115.718 1.747 . . . . 0.0 115.718 172.561 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.0 p -49.07 -19.53 0.43 Allowed 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 117.286 2.328 . . . . 0.0 117.286 145.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.2 p -113.49 29.66 7.82 Favored 'General case' 0 CA--C 1.558 1.276 0 N-CA-C 116.321 1.971 . . . . 0.0 116.321 163.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.427 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . -71.22 157.54 37.96 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-O 124.007 1.86 . . . . 0.0 111.109 144.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.6 p -88.88 -37.0 15.65 Favored 'General case' 0 CA--C 1.555 1.146 0 N-CA-C 118.009 2.596 . . . . 0.0 118.009 -175.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.7 p -53.12 -23.69 8.65 Favored 'General case' 0 N--CA 1.507 2.387 0 N-CA-C 118.22 2.674 . . . . 0.0 118.22 156.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 23.4 m -73.03 -28.63 62.46 Favored 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 117.995 2.591 . . . . 0.0 117.995 169.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 55.2 mm-40 -63.98 -30.64 71.7 Favored 'General case' 0 CA--C 1.568 1.668 0 N-CA-C 116.862 2.171 . . . . 0.0 116.862 167.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.6 tpp85 . . . . . 0 CA--C 1.576 1.977 0 N-CA-C 117.913 2.56 . . . . 0.0 117.913 163.994 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.411 ' SG ' ' O ' ' A' ' 4' ' ' CYS . 7.8 t . . . . . 0 N--CA 1.477 0.889 0 N-CA-C 115.339 1.607 . . . . 0.0 115.339 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 10.2 m -102.54 96.07 6.66 Favored 'General case' 0 C--N 1.353 0.719 0 N-CA-C 105.26 -2.126 . . . . 0.0 105.26 161.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.6 tp -108.72 131.27 55.09 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 103.457 -2.794 . . . . 0.0 103.457 174.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 64.13 23.94 13.32 Favored 'General case' 0 CA--C 1.588 2.405 0 CA-C-N 111.648 -2.524 . . . . 0.0 115.068 -171.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.82 -19.61 7.32 Favored Glycine 0 CA--C 1.538 1.502 0 N-CA-C 122.034 3.573 . . . . 0.0 122.034 -157.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -117.89 156.93 27.58 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-O 125.815 2.721 . . . . 0.0 110.638 -152.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.5 t -85.64 104.47 15.41 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 109.13 -3.668 . . . . 0.0 113.048 -154.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -91.97 147.65 22.8 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 113.009 -1.905 . . . . 0.0 110.63 -173.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.39 59.0 3.76 Favored 'General case' 0 CA--C 1.563 1.454 0 CA-C-N 113.292 -1.776 . . . . 0.0 114.648 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 . . . . . 0 CA--C 1.57 1.722 0 C-N-CA 124.668 1.187 . . . . 0.0 111.761 168.486 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.556 2.596 0 N-CA-C 117.852 1.901 . . . . 0.0 117.852 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.504 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 38.3 t -100.68 11.12 40.19 Favored 'General case' 0 CA--C 1.571 1.765 0 N-CA-C 115.772 1.767 . . . . 0.0 115.772 172.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.0 p -49.33 -18.67 0.4 Allowed 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 117.295 2.331 . . . . 0.0 117.295 146.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.0 p -114.64 30.0 7.63 Favored 'General case' 0 CA--C 1.559 1.291 0 N-CA-C 116.317 1.969 . . . . 0.0 116.317 163.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.412 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . -71.04 157.31 38.43 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-O 123.927 1.822 . . . . 0.0 111.035 144.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.2 p -89.25 -36.58 15.52 Favored 'General case' 0 CA--C 1.554 1.128 0 N-CA-C 118.18 2.659 . . . . 0.0 118.18 -176.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 16.6 p -53.28 -23.75 9.79 Favored 'General case' 0 N--CA 1.505 2.282 0 N-CA-C 118.186 2.661 . . . . 0.0 118.186 156.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 24.8 m -71.94 -25.32 61.84 Favored 'General case' 0 CA--C 1.557 1.235 0 N-CA-C 117.687 2.477 . . . . 0.0 117.687 168.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 51.8 mm-40 -75.55 -36.72 60.37 Favored 'General case' 0 CA--C 1.563 1.446 0 N-CA-C 118.01 2.596 . . . . 0.0 118.01 173.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 . . . . . 0 N--CA 1.496 1.857 0 CA-C-N 118.848 0.749 . . . . 0.0 110.282 -164.632 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.425 ' SG ' ' O ' ' A' ' 4' ' ' CYS . 8.5 t . . . . . 0 N--CA 1.474 0.751 0 N-CA-C 115.111 1.523 . . . . 0.0 115.111 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 13.3 m -96.79 91.06 5.49 Favored 'General case' 0 C--N 1.354 0.797 0 N-CA-C 105.17 -2.159 . . . . 0.0 105.17 162.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 21.6 tp -104.76 134.11 48.45 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 102.868 -3.012 . . . . 0.0 102.868 175.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 63.81 21.53 12.69 Favored 'General case' 0 CA--C 1.589 2.458 0 CA-C-N 112.511 -2.131 . . . . 0.0 115.455 -171.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.9 -23.7 6.6 Favored Glycine 0 CA--C 1.528 0.892 0 N-CA-C 122.011 3.564 . . . . 0.0 122.011 -158.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -117.6 167.51 11.26 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 126.015 2.817 . . . . 0.0 110.05 -150.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.0 t -93.83 91.3 6.89 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 109.808 -3.36 . . . . 0.0 111.262 -160.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.74 145.46 25.18 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 112.78 -2.009 . . . . 0.0 109.334 171.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -93.08 65.92 4.05 Favored 'General case' 0 CA--C 1.56 1.357 0 CA-C-N 113.185 -1.825 . . . . 0.0 111.787 -177.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 . . . . . 0 CA--C 1.571 1.785 0 CA-C-N 113.928 -1.487 . . . . 0.0 110.794 163.279 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.554 2.525 0 N-CA-C 117.089 1.596 . . . . 0.0 117.089 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.489 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 38.8 t -109.84 12.75 23.82 Favored 'General case' 0 CA--C 1.569 1.676 0 C-N-CA 126.035 1.734 . . . . 0.0 115.27 173.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 68.8 m -51.78 -18.63 1.32 Allowed 'General case' 0 N--CA 1.499 1.975 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 147.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.1 p -112.4 29.17 8.14 Favored 'General case' 0 CA--C 1.558 1.266 0 N-CA-C 116.399 2.0 . . . . 0.0 116.399 163.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.424 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . -70.8 157.12 38.62 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-O 123.927 1.822 . . . . 0.0 111.227 145.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 99.0 p -88.66 -36.83 16.02 Favored 'General case' 0 CA--C 1.555 1.161 0 N-CA-C 118.164 2.653 . . . . 0.0 118.164 -176.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.8 p -53.39 -22.98 8.49 Favored 'General case' 0 N--CA 1.505 2.302 0 N-CA-C 118.044 2.609 . . . . 0.0 118.044 156.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.2 m -72.61 -26.34 61.64 Favored 'General case' 0 CA--C 1.555 1.167 0 N-CA-C 117.938 2.57 . . . . 0.0 117.938 168.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -74.66 -36.6 62.83 Favored 'General case' 0 CA--C 1.56 1.359 0 N-CA-C 117.835 2.531 . . . . 0.0 117.835 173.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 59.1 ttm-85 . . . . . 0 N--CA 1.482 1.126 0 N-CA-C 107.069 -1.456 . . . . 0.0 107.069 -161.388 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 8.4 t . . . . . 0 N--CA 1.475 0.779 0 N-CA-C 114.891 1.441 . . . . 0.0 114.891 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 15.0 m -98.05 91.39 5.27 Favored 'General case' 0 C--N 1.355 0.838 0 N-CA-C 105.487 -2.042 . . . . 0.0 105.487 165.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.6 tp -104.33 128.4 52.13 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 103.868 -2.641 . . . . 0.0 103.868 176.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 63.99 24.91 13.74 Favored 'General case' 0 CA--C 1.586 2.327 0 CA-C-N 111.607 -2.542 . . . . 0.0 115.283 -170.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.77 -20.73 7.37 Favored Glycine 0 CA--C 1.538 1.489 0 N-CA-C 121.942 3.537 . . . . 0.0 121.942 -157.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -119.98 158.53 26.55 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-O 125.619 2.628 . . . . 0.0 110.142 -152.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.9 t -86.73 100.47 12.51 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 109.504 -3.498 . . . . 0.0 113.408 -151.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.78 146.71 30.84 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 112.173 -2.285 . . . . 0.0 110.921 178.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 -100.18 61.62 1.08 Allowed 'General case' 0 CA--C 1.561 1.368 0 CA-C-N 113.46 -1.7 . . . . 0.0 112.239 -177.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 . . . . . 0 CA--C 1.568 1.638 0 C-N-CA 125.487 1.515 . . . . 0.0 111.377 172.366 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.555 2.556 0 N-CA-C 117.897 1.919 . . . . 0.0 117.897 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.507 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 41.7 t -103.76 11.14 36.2 Favored 'General case' 0 CA--C 1.571 1.78 0 N-CA-C 115.609 1.707 . . . . 0.0 115.609 172.343 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.3 m -51.29 -17.05 0.62 Allowed 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 116.657 2.095 . . . . 0.0 116.657 148.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 51.9 p -116.22 31.3 6.81 Favored 'General case' 0 CA--C 1.559 1.297 0 N-CA-C 116.124 1.898 . . . . 0.0 116.124 162.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.422 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . -71.24 156.8 39.13 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-O 123.995 1.855 . . . . 0.0 111.001 143.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.3 p -89.11 -36.63 15.62 Favored 'General case' 0 CA--C 1.554 1.126 0 N-CA-C 118.094 2.628 . . . . 0.0 118.094 -176.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.1 p -52.71 -24.18 8.15 Favored 'General case' 0 N--CA 1.504 2.274 0 N-CA-C 118.365 2.728 . . . . 0.0 118.365 156.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 23.2 m -72.06 -26.4 62.16 Favored 'General case' 0 CA--C 1.555 1.173 0 N-CA-C 117.736 2.495 . . . . 0.0 117.736 168.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -74.17 -36.88 64.1 Favored 'General case' 0 CA--C 1.56 1.356 0 N-CA-C 117.861 2.541 . . . . 0.0 117.861 172.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 . . . . . 0 N--CA 1.481 1.109 0 N-CA-C 107.011 -1.478 . . . . 0.0 107.011 -161.561 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 8.5 t . . . . . 0 N--CA 1.474 0.773 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 14.7 m -97.69 91.7 5.52 Favored 'General case' 0 C--N 1.354 0.799 0 N-CA-C 105.448 -2.056 . . . . 0.0 105.448 165.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 20.2 tp -104.68 128.08 52.63 Favored 'General case' 0 N--CA 1.443 -0.802 0 N-CA-C 103.863 -2.643 . . . . 0.0 103.863 177.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 63.95 25.04 13.82 Favored 'General case' 0 CA--C 1.586 2.343 0 CA-C-N 111.524 -2.58 . . . . 0.0 115.242 -170.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.86 -20.96 7.12 Favored Glycine 0 CA--C 1.538 1.501 0 N-CA-C 121.949 3.54 . . . . 0.0 121.949 -157.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -119.34 158.51 25.97 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 125.653 2.644 . . . . 0.0 110.222 -152.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.9 t -86.63 103.21 14.89 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 109.451 -3.522 . . . . 0.0 113.214 -152.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.1 147.24 28.22 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 112.274 -2.239 . . . . 0.0 110.894 -179.562 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.3 ppt_? -94.51 58.73 2.42 Favored 'General case' 0 CA--C 1.563 1.455 0 CA-C-N 113.207 -1.815 . . . . 0.0 114.278 178.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 . . . . . 0 CA--C 1.57 1.737 0 C-N-CA 124.936 1.294 . . . . 0.0 111.898 171.929 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.556 2.597 0 N-CA-C 117.873 1.909 . . . . 0.0 117.873 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 41.7 t -102.33 11.14 38.55 Favored 'General case' 0 CA--C 1.57 1.741 0 N-CA-C 115.655 1.724 . . . . 0.0 115.655 172.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.1 m -50.95 -17.32 0.56 Allowed 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 116.679 2.103 . . . . 0.0 116.679 147.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 51.9 p -116.34 31.25 6.84 Favored 'General case' 0 CA--C 1.558 1.269 0 N-CA-C 116.155 1.909 . . . . 0.0 116.155 162.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.419 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . -71.22 156.78 39.15 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-O 123.927 1.822 . . . . 0.0 111.044 143.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.3 p -89.15 -36.46 15.68 Favored 'General case' 0 CA--C 1.555 1.155 0 N-CA-C 118.183 2.66 . . . . 0.0 118.183 -176.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.5 p -52.97 -24.01 8.49 Favored 'General case' 0 N--CA 1.505 2.324 0 N-CA-C 118.304 2.705 . . . . 0.0 118.304 156.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 23.2 m -71.94 -26.51 62.32 Favored 'General case' 0 CA--C 1.556 1.19 0 N-CA-C 117.645 2.461 . . . . 0.0 117.645 168.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 49.1 mm-40 -74.62 -36.54 62.94 Favored 'General case' 0 CA--C 1.561 1.373 0 N-CA-C 117.979 2.585 . . . . 0.0 117.979 172.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 33.4 ttp-105 . . . . . 0 N--CA 1.481 1.116 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 -160.872 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.2 t . . . . . 0 N--CA 1.473 0.688 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 13.7 m -99.4 94.63 6.53 Favored 'General case' 0 C--N 1.353 0.738 0 N-CA-C 105.236 -2.135 . . . . 0.0 105.236 166.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.7 tp -106.77 131.48 53.84 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 103.45 -2.796 . . . . 0.0 103.45 175.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 64.5 24.35 13.08 Favored 'General case' 0 CA--C 1.587 2.375 0 CA-C-N 111.46 -2.609 . . . . 0.0 115.03 -170.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.79 -18.46 9.06 Favored Glycine 0 CA--C 1.537 1.429 0 N-CA-C 121.768 3.467 . . . . 0.0 121.768 -157.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -119.36 157.18 28.68 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 126.189 2.9 . . . . 0.0 110.9 -151.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.8 t -86.61 97.34 10.48 Favored 'General case' 0 C--N 1.321 -0.663 1 CA-C-N 108.149 -4.114 . . . . 0.0 111.866 -156.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -104.49 139.56 39.23 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 113.246 -1.797 . . . . 0.0 109.435 -178.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -93.5 67.6 4.01 Favored 'General case' 0 CA--C 1.559 1.292 0 CA-C-N 113.726 -1.579 . . . . 0.0 112.607 -165.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 . . . . . 0 CA--C 1.566 1.568 0 CA-C-N 113.639 -1.619 . . . . 0.0 111.658 162.838 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.556 2.645 0 N-CA-C 117.911 1.924 . . . . 0.0 117.911 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.51 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 38.8 t -101.12 11.73 38.95 Favored 'General case' 0 CA--C 1.571 1.781 0 N-CA-C 115.745 1.757 . . . . 0.0 115.745 172.48 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.3 p -49.29 -19.15 0.45 Allowed 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 117.255 2.317 . . . . 0.0 117.255 145.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.2 p -112.91 29.06 8.27 Favored 'General case' 0 CA--C 1.558 1.269 0 N-CA-C 116.406 2.002 . . . . 0.0 116.406 163.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.441 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . -71.06 157.69 37.76 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-O 123.964 1.84 . . . . 0.0 111.154 145.293 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.2 p -88.79 -36.71 15.92 Favored 'General case' 0 CA--C 1.554 1.131 0 N-CA-C 118.13 2.641 . . . . 0.0 118.13 -176.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.3 p -52.95 -23.86 8.12 Favored 'General case' 0 N--CA 1.504 2.262 0 N-CA-C 118.197 2.666 . . . . 0.0 118.197 156.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 23.0 m -72.46 -25.09 61.31 Favored 'General case' 0 CA--C 1.557 1.222 0 N-CA-C 117.872 2.545 . . . . 0.0 117.872 168.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 53.1 mm-40 -75.54 -36.89 60.38 Favored 'General case' 0 CA--C 1.562 1.419 0 N-CA-C 117.892 2.553 . . . . 0.0 117.892 174.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 45.1 tpt85 . . . . . 0 CA--C 1.572 1.826 0 CA-C-N 118.906 0.776 . . . . 0.0 110.467 -164.63 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.3 t . . . . . 0 N--CA 1.473 0.723 0 CA-C-O 117.266 -1.35 . . . . 0.0 113.799 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 13.4 m -93.49 95.82 9.5 Favored 'General case' 0 C--N 1.358 0.955 0 N-CA-C 105.387 -2.079 . . . . 0.0 105.387 172.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 21.1 tp -107.69 128.78 54.87 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 103.323 -2.843 . . . . 0.0 103.323 178.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 63.73 24.48 13.86 Favored 'General case' 0 CA--C 1.584 2.269 0 CA-C-N 111.283 -2.689 . . . . 0.0 115.375 -170.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.37 -19.87 12.61 Favored Glycine 0 CA--C 1.538 1.497 0 N-CA-C 121.833 3.493 . . . . 0.0 121.833 -159.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -116.53 154.98 29.45 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-O 125.484 2.564 . . . . 0.0 111.207 -152.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.9 t -86.83 99.49 11.86 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 109.416 -3.538 . . . . 0.0 113.525 -154.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.6 mtt-85 -90.84 168.7 11.52 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 124.959 2.314 . . . . 0.0 111.611 -178.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.97 52.35 0.72 Allowed 'General case' 0 CA--C 1.558 1.281 0 CA-C-N 109.94 -3.3 . . . . 0.0 115.103 -169.043 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 . . . . . 0 CA--C 1.567 1.629 0 C-N-CA 124.668 1.187 . . . . 0.0 111.662 174.391 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.556 2.628 0 N-CA-C 117.973 1.949 . . . . 0.0 117.973 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.491 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 40.3 t -98.84 9.01 44.35 Favored 'General case' 0 CA--C 1.57 1.734 0 N-CA-C 115.913 1.819 . . . . 0.0 115.913 173.016 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.6 p -49.2 -20.8 0.66 Allowed 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 117.238 2.31 . . . . 0.0 117.238 146.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.2 p -113.17 30.19 7.39 Favored 'General case' 0 CA--C 1.558 1.275 0 N-CA-C 116.162 1.912 . . . . 0.0 116.162 163.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.65 156.53 39.34 Favored 'General case' 0 CA--C 1.548 0.865 0 CA-C-O 123.979 1.847 . . . . 0.0 110.92 144.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.2 p -88.51 -36.31 16.49 Favored 'General case' 0 CA--C 1.556 1.189 0 N-CA-C 118.137 2.643 . . . . 0.0 118.137 -176.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.1 p -52.35 -25.01 8.6 Favored 'General case' 0 N--CA 1.504 2.258 0 N-CA-C 118.254 2.687 . . . . 0.0 118.254 156.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 22.4 m -72.13 -25.85 61.89 Favored 'General case' 0 CA--C 1.555 1.156 0 N-CA-C 117.987 2.588 . . . . 0.0 117.987 169.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -74.63 -36.67 62.91 Favored 'General case' 0 CA--C 1.56 1.353 0 N-CA-C 117.75 2.5 . . . . 0.0 117.75 172.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.3 tpp180 . . . . . 0 N--CA 1.48 1.042 0 N-CA-C 107.397 -1.334 . . . . 0.0 107.397 -161.432 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.711 ' SG ' ' CB ' ' A' ' 19' ' ' ALA . 5.4 t . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 117.912 -1.042 . . . . 0.0 113.79 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 22.9 m -103.67 100.19 10.01 Favored 'General case' 0 C--N 1.351 0.661 0 N-CA-C 105.171 -2.159 . . . . 0.0 105.171 171.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 20.5 tp -103.8 131.7 50.75 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 104.001 -2.592 . . . . 0.0 104.001 175.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 65.33 21.96 12.0 Favored 'General case' 0 CA--C 1.582 2.2 0 CA-C-N 111.314 -2.675 . . . . 0.0 115.468 -171.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.37 -15.41 34.86 Favored Glycine 0 CA--C 1.535 1.331 0 N-CA-C 121.501 3.361 . . . . 0.0 121.501 -157.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -123.24 157.66 32.61 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 126.287 2.946 . . . . 0.0 110.477 -151.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.1 t -89.21 102.24 14.9 Favored 'General case' 0 C--N 1.318 -0.77 1 CA-C-N 108.191 -4.095 . . . . 0.0 111.834 -154.747 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -113.1 149.01 34.11 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-O 123.599 1.666 . . . . 0.0 110.114 -175.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.53 ' HD3' ' H ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -90.87 58.79 3.93 Favored 'General case' 0 CA--C 1.558 1.275 0 CA-C-N 112.638 -2.073 . . . . 0.0 115.879 -163.83 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 . . . . . 0 CA--C 1.567 1.609 0 CA-C-N 114.45 -1.25 . . . . 0.0 111.471 164.044 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.559 2.838 0 N-CA-C 118.801 2.28 . . . . 0.0 118.801 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.442 ' O ' ' SG ' ' A' ' 22' ' ' CYS . 23.2 t -95.48 -2.32 48.98 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 126.352 1.861 . . . . 0.0 115.575 171.634 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.8 t -56.11 -29.01 60.02 Favored 'General case' 0 CA--C 1.573 1.834 0 N-CA-C 116.072 1.879 . . . . 0.0 116.072 153.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 59.7 p -87.8 7.32 31.01 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 118.076 2.621 . . . . 0.0 118.076 165.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.711 ' CB ' ' SG ' ' A' ' 4' ' ' CYS . . . -68.48 163.93 22.28 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 123.882 1.801 . . . . 0.0 112.938 156.061 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.4 p -87.57 -36.95 17.25 Favored 'General case' 0 CA--C 1.552 1.044 0 N-CA-C 118.159 2.652 . . . . 0.0 118.159 -172.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.0 p -52.72 -25.13 10.17 Favored 'General case' 0 N--CA 1.507 2.395 0 N-CA-C 118.362 2.727 . . . . 0.0 118.362 158.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.442 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 18.0 m -73.12 -26.47 61.24 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 118.369 2.729 . . . . 0.0 118.369 169.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 57.9 mm-40 -68.04 -44.49 76.33 Favored 'General case' 0 CA--C 1.564 1.51 0 N-CA-C 115.566 1.691 . . . . 0.0 115.566 173.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.5 ttp-105 . . . . . 0 N--CA 1.506 2.352 0 CA-C-N 120.012 1.278 . . . . 0.0 114.228 161.118 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.429 ' HA ' HD23 ' A' ' 2' ' ' HYP 0.251 34.1 p80 . . . . . 0 N--CA 1.481 1.115 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' HYP . . . . . 0.429 HD23 ' HA ' ' A' ' 1' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.9 t -76.3 -32.84 58.98 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-O 117.23 -1.367 . . . . 0.0 114.638 177.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 13.3 m -98.36 95.56 7.43 Favored 'General case' 0 C--N 1.355 0.827 0 N-CA-C 105.113 -2.181 . . . . 0.0 105.113 168.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.9 tp -108.04 132.07 53.93 Favored 'General case' 0 N--CA 1.442 -0.868 0 N-CA-C 103.065 -2.939 . . . . 0.0 103.065 175.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 65.03 23.56 12.51 Favored 'General case' 0 CA--C 1.589 2.446 0 CA-C-N 111.567 -2.56 . . . . 0.0 114.957 -171.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.84 -17.81 10.51 Favored Glycine 0 CA--C 1.537 1.456 0 N-CA-C 121.886 3.515 . . . . 0.0 121.886 -157.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -121.34 158.24 28.67 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 126.048 2.832 . . . . 0.0 111.343 -151.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.2 t -88.89 96.79 10.84 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 108.416 -3.993 . . . . 0.0 112.51 -154.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -99.44 149.31 23.32 Favored 'General case' 0 CA--C 1.55 0.958 0 CA-C-N 113.017 -1.902 . . . . 0.0 110.6 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.531 ' HD3' ' H ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -93.19 60.94 3.29 Favored 'General case' 0 CA--C 1.558 1.25 0 CA-C-N 111.977 -2.374 . . . . 0.0 114.481 -165.593 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -85.37 163.43 18.55 Favored 'General case' 0 CA--C 1.565 1.551 0 CA-C-N 114.439 -1.255 . . . . 0.0 111.609 169.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.28 19.96 21.82 Favored Glycine 0 CA--C 1.556 2.642 0 N-CA-C 117.93 1.932 . . . . 0.0 117.93 -176.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.503 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 39.2 t -99.71 10.64 40.99 Favored 'General case' 0 CA--C 1.571 1.77 0 N-CA-C 115.811 1.782 . . . . 0.0 115.811 172.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.2 p -48.97 -20.15 0.48 Allowed 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 117.261 2.319 . . . . 0.0 117.261 146.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.3 p -113.24 30.29 7.31 Favored 'General case' 0 CA--C 1.558 1.27 0 N-CA-C 116.226 1.936 . . . . 0.0 116.226 163.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.425 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . -71.57 157.03 38.72 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-O 123.991 1.853 . . . . 0.0 111.023 144.324 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.1 p -88.33 -36.78 16.43 Favored 'General case' 0 CA--C 1.554 1.123 0 N-CA-C 118.097 2.629 . . . . 0.0 118.097 -176.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.2 p -52.77 -23.86 7.68 Favored 'General case' 0 N--CA 1.505 2.29 0 N-CA-C 118.339 2.718 . . . . 0.0 118.339 156.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.8 m -72.91 -28.04 62.23 Favored 'General case' 0 CA--C 1.553 1.061 0 N-CA-C 118.094 2.627 . . . . 0.0 118.094 169.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -65.42 -47.33 76.64 Favored 'General case' 0 CA--C 1.558 1.286 0 C-N-CA 126.458 1.903 . . . . 0.0 115.231 170.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.283 70.2 ttp85 67.41 -22.26 0.12 Allowed 'General case' 0 CA--C 1.57 1.746 0 N-CA-C 118.338 2.718 . . . . 0.0 118.338 164.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 O-C-N 116.634 -3.791 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.424 ' HA ' HD23 ' A' ' 2' ' ' HYP 0.25 32.7 p80 . . . . . 0 N--CA 1.482 1.137 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' HYP . . . . . 0.424 HD23 ' HA ' ' A' ' 1' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.5 t -78.25 -30.54 48.69 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 178.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 14.2 m -96.73 90.56 5.33 Favored 'General case' 0 C--N 1.355 0.81 0 N-CA-C 105.25 -2.13 . . . . 0.0 105.25 166.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.1 tp -104.25 129.75 52.06 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 103.697 -2.705 . . . . 0.0 103.697 177.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 64.25 24.71 13.41 Favored 'General case' 0 CA--C 1.586 2.355 0 CA-C-N 111.38 -2.645 . . . . 0.0 115.072 -170.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.3 -21.15 6.26 Favored Glycine 0 CA--C 1.536 1.353 0 N-CA-C 121.833 3.493 . . . . 0.0 121.833 -157.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -118.01 155.4 30.36 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 125.885 2.755 . . . . 0.0 109.971 -151.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.3 t -86.06 100.43 12.16 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 108.906 -3.77 . . . . 0.0 111.775 -157.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.9 ptp180 -103.58 143.16 33.11 Favored 'General case' 0 CA--C 1.552 1.023 0 CA-C-N 113.582 -1.644 . . . . 0.0 109.931 -177.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.37 62.37 6.61 Favored 'General case' 0 CA--C 1.561 1.385 0 CA-C-N 113.479 -1.691 . . . . 0.0 114.327 -168.102 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -81.41 163.21 22.97 Favored 'General case' 0 CA--C 1.567 1.616 0 CA-C-N 114.202 -1.363 . . . . 0.0 111.825 165.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.88 21.22 16.51 Favored Glycine 0 CA--C 1.556 2.631 0 N-CA-C 117.787 1.875 . . . . 0.0 117.787 -175.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.51 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 37.8 t -100.61 10.71 40.81 Favored 'General case' 0 CA--C 1.571 1.759 0 N-CA-C 115.742 1.756 . . . . 0.0 115.742 172.498 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.0 p -49.0 -19.67 0.43 Allowed 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 117.304 2.335 . . . . 0.0 117.304 146.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.2 p -113.81 29.58 7.9 Favored 'General case' 0 CA--C 1.558 1.28 0 N-CA-C 116.34 1.978 . . . . 0.0 116.34 163.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.416 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . -70.88 157.44 38.13 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-O 123.9 1.81 . . . . 0.0 111.181 144.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.8 p -88.71 -37.34 15.59 Favored 'General case' 0 CA--C 1.556 1.18 0 N-CA-C 118.004 2.594 . . . . 0.0 118.004 -176.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.2 p -53.13 -23.43 8.07 Favored 'General case' 0 N--CA 1.506 2.366 0 N-CA-C 118.259 2.688 . . . . 0.0 118.259 156.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 23.3 m -73.0 -28.88 62.63 Favored 'General case' 0 CA--C 1.553 1.094 0 N-CA-C 118.009 2.596 . . . . 0.0 118.009 168.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 54.8 mm-40 -63.87 -30.61 71.68 Favored 'General case' 0 CA--C 1.568 1.672 0 N-CA-C 116.886 2.18 . . . . 0.0 116.886 167.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.7 tpp85 -49.48 -26.83 3.67 Favored 'General case' 0 CA--C 1.575 1.931 0 N-CA-C 117.935 2.569 . . . . 0.0 117.935 164.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.004 0 O-C-N 116.514 -3.866 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.425 ' HA ' HD23 ' A' ' 2' ' ' HYP . 32.7 p80 . . . . . 0 N--CA 1.481 1.087 0 N-CA-C 114.185 1.18 . . . . 0.0 114.185 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' HYP . . . . . 0.425 HD23 ' HA ' ' A' ' 1' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.407 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 7.8 t -81.56 -22.06 38.05 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 115.359 1.614 . . . . 0.0 115.359 179.307 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 10.7 m -102.6 96.03 6.62 Favored 'General case' 0 C--N 1.351 0.669 0 N-CA-C 105.233 -2.136 . . . . 0.0 105.233 161.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.6 tp -108.48 131.31 54.94 Favored 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 103.45 -2.796 . . . . 0.0 103.45 174.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 64.17 23.82 13.26 Favored 'General case' 0 CA--C 1.587 2.394 0 CA-C-N 111.649 -2.523 . . . . 0.0 115.063 -171.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.87 -19.67 7.32 Favored Glycine 0 CA--C 1.539 1.555 0 N-CA-C 122.019 3.568 . . . . 0.0 122.019 -157.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -117.7 156.79 27.63 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 125.763 2.697 . . . . 0.0 110.647 -152.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.6 t -85.76 104.14 15.18 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 109.186 -3.643 . . . . 0.0 112.996 -153.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -91.53 147.41 23.03 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-N 112.924 -1.944 . . . . 0.0 110.543 -173.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 39.8 mtm105 -93.17 62.93 3.58 Favored 'General case' 0 CA--C 1.563 1.454 0 CA-C-N 113.524 -1.671 . . . . 0.0 112.849 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -92.52 165.36 13.06 Favored 'General case' 0 CA--C 1.569 1.698 0 C-N-CA 124.733 1.213 . . . . 0.0 111.545 167.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 96.76 22.46 18.23 Favored Glycine 0 CA--C 1.555 2.589 0 N-CA-C 117.687 1.835 . . . . 0.0 117.687 -176.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.499 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 37.4 t -103.62 12.01 35.42 Favored 'General case' 0 CA--C 1.57 1.746 0 N-CA-C 115.588 1.699 . . . . 0.0 115.588 172.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.0 m -50.63 -18.9 0.77 Allowed 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 116.657 2.095 . . . . 0.0 116.657 147.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.2 p -114.0 30.42 7.28 Favored 'General case' 0 CA--C 1.559 1.3 0 N-CA-C 116.207 1.929 . . . . 0.0 116.207 163.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.418 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . -71.17 157.1 38.74 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-O 123.996 1.855 . . . . 0.0 111.018 144.194 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.4 p -89.0 -37.04 15.49 Favored 'General case' 0 CA--C 1.555 1.163 0 N-CA-C 118.003 2.594 . . . . 0.0 118.003 -175.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 16.9 p -52.97 -24.07 8.63 Favored 'General case' 0 N--CA 1.506 2.335 0 N-CA-C 118.26 2.689 . . . . 0.0 118.26 156.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 23.1 m -72.68 -28.29 62.61 Favored 'General case' 0 CA--C 1.553 1.081 0 N-CA-C 118.106 2.632 . . . . 0.0 118.106 168.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 55.2 mm-40 -64.15 -30.7 71.74 Favored 'General case' 0 CA--C 1.568 1.666 0 N-CA-C 116.861 2.171 . . . . 0.0 116.861 167.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.4 tpp180 -50.0 -27.0 4.81 Favored 'General case' 0 CA--C 1.576 1.979 0 N-CA-C 117.874 2.546 . . . . 0.0 117.874 164.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.027 0 O-C-N 116.525 -3.859 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 20.5 p80 . . . . . 0 N--CA 1.482 1.159 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.3 t -73.32 -36.73 66.26 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 116.765 -1.588 . . . . 0.0 114.389 177.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 11.9 m -88.0 87.83 7.46 Favored 'General case' 0 C--N 1.358 0.972 0 N-CA-C 106.283 -1.747 . . . . 0.0 106.283 167.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 30.1 tp -105.38 129.19 53.76 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 102.858 -3.016 . . . . 0.0 102.858 -178.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 61.56 25.51 15.41 Favored 'General case' 0 CA--C 1.589 2.461 0 CA-C-N 112.018 -2.356 . . . . 0.0 115.443 -169.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.82 -25.38 6.72 Favored Glycine 0 CA--C 1.532 1.13 0 N-CA-C 121.944 3.538 . . . . 0.0 121.944 -161.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -113.2 163.01 15.32 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 125.715 2.674 . . . . 0.0 111.342 -150.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.1 t -90.14 94.41 9.76 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 109.581 -3.463 . . . . 0.0 112.742 -159.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -100.54 149.81 23.33 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 112.362 -2.199 . . . . 0.0 111.303 -163.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 36.7 ptt180 -85.16 55.75 3.64 Favored 'General case' 0 CA--C 1.559 1.321 0 CA-C-N 112.746 -2.025 . . . . 0.0 114.65 -178.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -92.61 162.5 14.15 Favored 'General case' 0 CA--C 1.572 1.794 0 CA-C-N 113.872 -1.513 . . . . 0.0 110.324 170.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 91.84 27.91 15.41 Favored Glycine 0 CA--C 1.554 2.5 0 N-CA-C 117.01 1.564 . . . . 0.0 117.01 -176.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.466 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 44.2 t -107.38 11.44 29.01 Favored 'General case' 0 CA--C 1.566 1.59 0 N-CA-C 115.504 1.668 . . . . 0.0 115.504 174.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.8 t -50.13 -22.86 1.84 Allowed 'General case' 0 CA--C 1.577 2.017 0 N-CA-C 116.567 2.062 . . . . 0.0 116.567 147.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.2 p -110.55 28.74 8.37 Favored 'General case' 0 CA--C 1.557 1.218 0 N-CA-C 116.327 1.973 . . . . 0.0 116.327 165.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.412 ' HB2' ' SG ' ' A' ' 16' ' ' CYS . . . -69.29 156.58 38.54 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-O 123.873 1.797 . . . . 0.0 111.306 146.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 99.6 p -88.17 -37.1 16.44 Favored 'General case' 0 CA--C 1.557 1.236 0 N-CA-C 118.069 2.618 . . . . 0.0 118.069 -176.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 10.4 p -52.86 -23.79 7.75 Favored 'General case' 0 N--CA 1.506 2.338 0 N-CA-C 118.067 2.618 . . . . 0.0 118.067 156.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.3 m -72.12 -25.66 61.82 Favored 'General case' 0 CA--C 1.554 1.131 0 N-CA-C 118.309 2.707 . . . . 0.0 118.309 167.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 46.8 mm-40 -76.64 -34.31 58.3 Favored 'General case' 0 CA--C 1.563 1.452 0 N-CA-C 118.14 2.644 . . . . 0.0 118.14 173.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.0 tpp180 -158.51 165.7 33.92 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-O 123.565 1.65 . . . . 0.0 107.832 -157.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.842 0 O-C-N 116.87 -3.644 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.419 ' HA ' HD23 ' A' ' 2' ' ' HYP 0.251 32.8 p80 . . . . . 0 N--CA 1.481 1.119 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' HYP . . . . . 0.419 HD23 ' HA ' ' A' ' 1' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.2 t -77.46 -29.84 52.96 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 114.906 1.447 . . . . 0.0 114.906 178.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 12.0 m -99.5 94.89 6.65 Favored 'General case' 0 C--N 1.353 0.722 0 N-CA-C 105.088 -2.19 . . . . 0.0 105.088 166.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.5 tp -106.83 131.44 53.93 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 103.528 -2.767 . . . . 0.0 103.528 175.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 64.74 23.04 12.68 Favored 'General case' 0 CA--C 1.587 2.377 0 CA-C-N 111.466 -2.606 . . . . 0.0 115.158 -171.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.71 -19.41 9.33 Favored Glycine 0 CA--C 1.537 1.417 0 N-CA-C 121.853 3.501 . . . . 0.0 121.853 -157.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -117.34 154.43 31.28 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 125.811 2.719 . . . . 0.0 110.233 -152.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.5 t -85.65 100.73 12.17 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 108.949 -3.751 . . . . 0.0 111.958 -158.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -104.84 148.28 26.82 Favored 'General case' 0 CA--C 1.551 1.019 0 CA-C-O 123.601 1.667 . . . . 0.0 110.256 -176.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 -90.41 61.19 4.91 Favored 'General case' 0 CA--C 1.558 1.253 0 CA-C-N 112.475 -2.148 . . . . 0.0 114.919 -164.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -86.96 163.05 17.32 Favored 'General case' 0 CA--C 1.565 1.553 0 CA-C-N 114.47 -1.241 . . . . 0.0 111.64 169.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.22 21.17 18.36 Favored Glycine 0 CA--C 1.556 2.62 0 N-CA-C 117.789 1.875 . . . . 0.0 117.789 -176.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.506 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 37.9 t -100.61 11.0 40.43 Favored 'General case' 0 CA--C 1.57 1.728 0 N-CA-C 115.797 1.777 . . . . 0.0 115.797 172.503 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.0 t -49.85 -20.03 0.79 Allowed 'General case' 0 CA--C 1.575 1.94 0 N-CA-C 116.648 2.092 . . . . 0.0 116.648 146.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.1 p -112.23 29.0 8.27 Favored 'General case' 0 CA--C 1.558 1.282 0 N-CA-C 116.515 2.043 . . . . 0.0 116.515 163.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.418 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . -70.91 157.77 37.6 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-O 123.889 1.804 . . . . 0.0 111.186 145.186 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.2 p -89.05 -36.73 15.61 Favored 'General case' 0 CA--C 1.555 1.171 0 N-CA-C 118.133 2.642 . . . . 0.0 118.133 -176.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.7 p -53.42 -23.24 9.32 Favored 'General case' 0 N--CA 1.506 2.348 0 N-CA-C 118.191 2.663 . . . . 0.0 118.191 156.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 25.5 m -72.49 -26.45 61.79 Favored 'General case' 0 CA--C 1.557 1.232 0 N-CA-C 117.597 2.443 . . . . 0.0 117.597 168.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 51.5 mm-40 -74.91 -34.73 62.19 Favored 'General case' 0 CA--C 1.564 1.487 0 N-CA-C 118.317 2.71 . . . . 0.0 118.317 173.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 -157.62 163.99 37.7 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-O 123.542 1.639 . . . . 0.0 107.447 -156.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.886 0 O-C-N 116.828 -3.67 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.426 ' HA ' HD23 ' A' ' 2' ' ' HYP . 32.4 p80 . . . . . 0 N--CA 1.481 1.101 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' HYP . . . . . 0.426 HD23 ' HA ' ' A' ' 1' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.1 t -77.92 -29.17 49.93 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 114.986 1.476 . . . . 0.0 114.986 178.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 13.0 m -99.81 94.93 6.58 Favored 'General case' 0 C--N 1.353 0.74 0 N-CA-C 104.99 -2.226 . . . . 0.0 104.99 165.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.5 tp -106.62 131.6 53.58 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 103.508 -2.775 . . . . 0.0 103.508 175.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 64.68 23.44 12.78 Favored 'General case' 0 CA--C 1.586 2.351 0 CA-C-N 111.445 -2.616 . . . . 0.0 115.135 -171.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.37 -19.33 8.67 Favored Glycine 0 CA--C 1.535 1.323 0 N-CA-C 121.88 3.512 . . . . 0.0 121.88 -157.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -118.82 154.86 32.18 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 125.843 2.735 . . . . 0.0 110.092 -151.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.5 t -86.05 100.99 12.55 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 108.992 -3.731 . . . . 0.0 111.916 -156.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -103.69 143.55 32.63 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 113.553 -1.658 . . . . 0.0 109.622 -177.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.1 ppt_? -89.53 61.85 5.7 Favored 'General case' 0 CA--C 1.563 1.48 0 CA-C-N 113.451 -1.704 . . . . 0.0 114.203 -168.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -80.4 162.96 24.2 Favored 'General case' 0 CA--C 1.566 1.576 0 CA-C-N 114.462 -1.245 . . . . 0.0 111.958 165.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.34 21.04 18.41 Favored Glycine 0 CA--C 1.556 2.624 0 N-CA-C 117.787 1.875 . . . . 0.0 117.787 -176.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.498 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 37.5 t -100.97 11.49 39.52 Favored 'General case' 0 CA--C 1.571 1.766 0 N-CA-C 115.718 1.747 . . . . 0.0 115.718 172.561 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.0 p -49.07 -19.53 0.43 Allowed 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 117.286 2.328 . . . . 0.0 117.286 145.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.2 p -113.49 29.66 7.82 Favored 'General case' 0 CA--C 1.558 1.276 0 N-CA-C 116.321 1.971 . . . . 0.0 116.321 163.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.427 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . -71.22 157.54 37.96 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-O 124.007 1.86 . . . . 0.0 111.109 144.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.6 p -88.88 -37.0 15.65 Favored 'General case' 0 CA--C 1.555 1.146 0 N-CA-C 118.009 2.596 . . . . 0.0 118.009 -175.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.7 p -53.12 -23.69 8.65 Favored 'General case' 0 N--CA 1.507 2.387 0 N-CA-C 118.22 2.674 . . . . 0.0 118.22 156.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 23.4 m -73.03 -28.63 62.46 Favored 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 117.995 2.591 . . . . 0.0 117.995 169.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 55.2 mm-40 -63.98 -30.64 71.7 Favored 'General case' 0 CA--C 1.568 1.668 0 N-CA-C 116.862 2.171 . . . . 0.0 116.862 167.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.6 tpp85 -49.5 -26.84 3.71 Favored 'General case' 0 CA--C 1.576 1.977 0 N-CA-C 117.913 2.56 . . . . 0.0 117.913 163.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.004 0 O-C-N 116.536 -3.853 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.423 ' HA ' HD23 ' A' ' 2' ' ' HYP . 33.0 p80 . . . . . 0 N--CA 1.481 1.118 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' HYP . . . . . 0.423 HD23 ' HA ' ' A' ' 1' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.411 ' SG ' ' O ' ' A' ' 4' ' ' CYS . 7.8 t -81.22 -22.34 38.87 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 115.339 1.607 . . . . 0.0 115.339 179.121 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 10.2 m -102.54 96.07 6.66 Favored 'General case' 0 C--N 1.353 0.719 0 N-CA-C 105.26 -2.126 . . . . 0.0 105.26 161.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.6 tp -108.72 131.27 55.09 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 103.457 -2.794 . . . . 0.0 103.457 174.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 64.13 23.94 13.32 Favored 'General case' 0 CA--C 1.588 2.405 0 CA-C-N 111.648 -2.524 . . . . 0.0 115.068 -171.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.82 -19.61 7.32 Favored Glycine 0 CA--C 1.538 1.502 0 N-CA-C 122.034 3.573 . . . . 0.0 122.034 -157.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -117.89 156.93 27.58 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-O 125.815 2.721 . . . . 0.0 110.638 -152.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.5 t -85.64 104.47 15.41 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 109.13 -3.668 . . . . 0.0 113.048 -154.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -91.97 147.65 22.8 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 113.009 -1.905 . . . . 0.0 110.63 -173.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.39 59.0 3.76 Favored 'General case' 0 CA--C 1.563 1.454 0 CA-C-N 113.292 -1.776 . . . . 0.0 114.648 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -91.46 165.07 13.57 Favored 'General case' 0 CA--C 1.57 1.722 0 C-N-CA 124.668 1.187 . . . . 0.0 111.761 168.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 96.62 20.24 25.08 Favored Glycine 0 CA--C 1.556 2.596 0 N-CA-C 117.852 1.901 . . . . 0.0 117.852 -177.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.504 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 38.3 t -100.68 11.12 40.19 Favored 'General case' 0 CA--C 1.571 1.765 0 N-CA-C 115.772 1.767 . . . . 0.0 115.772 172.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.0 p -49.33 -18.67 0.4 Allowed 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 117.295 2.331 . . . . 0.0 117.295 146.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.0 p -114.64 30.0 7.63 Favored 'General case' 0 CA--C 1.559 1.291 0 N-CA-C 116.317 1.969 . . . . 0.0 116.317 163.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.412 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . -71.04 157.31 38.43 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-O 123.927 1.822 . . . . 0.0 111.035 144.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.2 p -89.25 -36.58 15.52 Favored 'General case' 0 CA--C 1.554 1.128 0 N-CA-C 118.18 2.659 . . . . 0.0 118.18 -176.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 16.6 p -53.28 -23.75 9.79 Favored 'General case' 0 N--CA 1.505 2.282 0 N-CA-C 118.186 2.661 . . . . 0.0 118.186 156.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 24.8 m -71.94 -25.32 61.84 Favored 'General case' 0 CA--C 1.557 1.235 0 N-CA-C 117.687 2.477 . . . . 0.0 117.687 168.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 51.8 mm-40 -75.55 -36.72 60.37 Favored 'General case' 0 CA--C 1.563 1.446 0 N-CA-C 118.01 2.596 . . . . 0.0 118.01 173.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -112.25 78.0 1.09 Allowed 'General case' 0 N--CA 1.496 1.857 0 CA-C-N 118.848 0.749 . . . . 0.0 110.282 -164.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.052 0 O-C-N 117.068 -3.52 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 27.8 p80 . . . . . 0 N--CA 1.482 1.13 0 N-CA-C 114.051 1.13 . . . . 0.0 114.051 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.425 ' SG ' ' O ' ' A' ' 4' ' ' CYS . 8.5 t -79.68 -26.54 40.94 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 115.111 1.523 . . . . 0.0 115.111 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 13.3 m -96.79 91.06 5.49 Favored 'General case' 0 C--N 1.354 0.797 0 N-CA-C 105.17 -2.159 . . . . 0.0 105.17 162.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 21.6 tp -104.76 134.11 48.45 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 102.868 -3.012 . . . . 0.0 102.868 175.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 63.81 21.53 12.69 Favored 'General case' 0 CA--C 1.589 2.458 0 CA-C-N 112.511 -2.131 . . . . 0.0 115.455 -171.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.9 -23.7 6.6 Favored Glycine 0 CA--C 1.528 0.892 0 N-CA-C 122.011 3.564 . . . . 0.0 122.011 -158.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -117.6 167.51 11.26 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 126.015 2.817 . . . . 0.0 110.05 -150.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.0 t -93.83 91.3 6.89 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 109.808 -3.36 . . . . 0.0 111.262 -160.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.74 145.46 25.18 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 112.78 -2.009 . . . . 0.0 109.334 171.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -93.08 65.92 4.05 Favored 'General case' 0 CA--C 1.56 1.357 0 CA-C-N 113.185 -1.825 . . . . 0.0 111.787 -177.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -79.09 162.5 25.81 Favored 'General case' 0 CA--C 1.571 1.785 0 CA-C-N 113.928 -1.487 . . . . 0.0 110.794 163.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 94.84 28.16 10.44 Favored Glycine 0 CA--C 1.554 2.525 0 N-CA-C 117.089 1.596 . . . . 0.0 117.089 -174.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.489 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 38.8 t -109.84 12.75 23.82 Favored 'General case' 0 CA--C 1.569 1.676 0 C-N-CA 126.035 1.734 . . . . 0.0 115.27 173.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 68.8 m -51.78 -18.63 1.32 Allowed 'General case' 0 N--CA 1.499 1.975 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 147.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.1 p -112.4 29.17 8.14 Favored 'General case' 0 CA--C 1.558 1.266 0 N-CA-C 116.399 2.0 . . . . 0.0 116.399 163.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.424 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . -70.8 157.12 38.62 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-O 123.927 1.822 . . . . 0.0 111.227 145.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 99.0 p -88.66 -36.83 16.02 Favored 'General case' 0 CA--C 1.555 1.161 0 N-CA-C 118.164 2.653 . . . . 0.0 118.164 -176.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.8 p -53.39 -22.98 8.49 Favored 'General case' 0 N--CA 1.505 2.302 0 N-CA-C 118.044 2.609 . . . . 0.0 118.044 156.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.2 m -72.61 -26.34 61.64 Favored 'General case' 0 CA--C 1.555 1.167 0 N-CA-C 117.938 2.57 . . . . 0.0 117.938 168.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -74.66 -36.6 62.83 Favored 'General case' 0 CA--C 1.56 1.359 0 N-CA-C 117.835 2.531 . . . . 0.0 117.835 173.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 59.1 ttm-85 -150.33 140.04 21.7 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 107.069 -1.456 . . . . 0.0 107.069 -161.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.904 0 O-C-N 117.982 -2.948 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 33.8 p80 . . . . . 0 N--CA 1.481 1.107 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 8.4 t -79.71 -28.44 40.6 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 114.891 1.441 . . . . 0.0 114.891 178.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 15.0 m -98.05 91.39 5.27 Favored 'General case' 0 C--N 1.355 0.838 0 N-CA-C 105.487 -2.042 . . . . 0.0 105.487 165.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.6 tp -104.33 128.4 52.13 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 103.868 -2.641 . . . . 0.0 103.868 176.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 63.99 24.91 13.74 Favored 'General case' 0 CA--C 1.586 2.327 0 CA-C-N 111.607 -2.542 . . . . 0.0 115.283 -170.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.77 -20.73 7.37 Favored Glycine 0 CA--C 1.538 1.489 0 N-CA-C 121.942 3.537 . . . . 0.0 121.942 -157.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -119.98 158.53 26.55 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-O 125.619 2.628 . . . . 0.0 110.142 -152.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.9 t -86.73 100.47 12.51 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 109.504 -3.498 . . . . 0.0 113.408 -151.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.78 146.71 30.84 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 112.173 -2.285 . . . . 0.0 110.921 178.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 -100.18 61.62 1.08 Allowed 'General case' 0 CA--C 1.561 1.368 0 CA-C-N 113.46 -1.7 . . . . 0.0 112.239 -177.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -92.4 166.51 12.52 Favored 'General case' 0 CA--C 1.568 1.638 0 C-N-CA 125.487 1.515 . . . . 0.0 111.377 172.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 97.51 21.61 18.97 Favored Glycine 0 CA--C 1.555 2.556 0 N-CA-C 117.897 1.919 . . . . 0.0 117.897 -176.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.507 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 41.7 t -103.76 11.14 36.2 Favored 'General case' 0 CA--C 1.571 1.78 0 N-CA-C 115.609 1.707 . . . . 0.0 115.609 172.343 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.3 m -51.29 -17.05 0.62 Allowed 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 116.657 2.095 . . . . 0.0 116.657 148.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 51.9 p -116.22 31.3 6.81 Favored 'General case' 0 CA--C 1.559 1.297 0 N-CA-C 116.124 1.898 . . . . 0.0 116.124 162.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.422 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . -71.24 156.8 39.13 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-O 123.995 1.855 . . . . 0.0 111.001 143.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.3 p -89.11 -36.63 15.62 Favored 'General case' 0 CA--C 1.554 1.126 0 N-CA-C 118.094 2.628 . . . . 0.0 118.094 -176.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.1 p -52.71 -24.18 8.15 Favored 'General case' 0 N--CA 1.504 2.274 0 N-CA-C 118.365 2.728 . . . . 0.0 118.365 156.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 23.2 m -72.06 -26.4 62.16 Favored 'General case' 0 CA--C 1.555 1.173 0 N-CA-C 117.736 2.495 . . . . 0.0 117.736 168.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -74.17 -36.88 64.1 Favored 'General case' 0 CA--C 1.56 1.356 0 N-CA-C 117.861 2.541 . . . . 0.0 117.861 172.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -149.41 139.68 22.27 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 107.011 -1.478 . . . . 0.0 107.011 -161.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.932 0 O-C-N 117.999 -2.938 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 33.1 p80 . . . . . 0 N--CA 1.481 1.118 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 8.5 t -79.25 -28.59 42.43 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 177.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 14.7 m -97.69 91.7 5.52 Favored 'General case' 0 C--N 1.354 0.799 0 N-CA-C 105.448 -2.056 . . . . 0.0 105.448 165.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 20.2 tp -104.68 128.08 52.63 Favored 'General case' 0 N--CA 1.443 -0.802 0 N-CA-C 103.863 -2.643 . . . . 0.0 103.863 177.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 63.95 25.04 13.82 Favored 'General case' 0 CA--C 1.586 2.343 0 CA-C-N 111.524 -2.58 . . . . 0.0 115.242 -170.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.86 -20.96 7.12 Favored Glycine 0 CA--C 1.538 1.501 0 N-CA-C 121.949 3.54 . . . . 0.0 121.949 -157.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -119.34 158.51 25.97 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 125.653 2.644 . . . . 0.0 110.222 -152.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.9 t -86.63 103.21 14.89 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 109.451 -3.522 . . . . 0.0 113.214 -152.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.1 147.24 28.22 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 112.274 -2.239 . . . . 0.0 110.894 -179.562 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.3 ppt_? -94.51 58.73 2.42 Favored 'General case' 0 CA--C 1.563 1.455 0 CA-C-N 113.207 -1.815 . . . . 0.0 114.278 178.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -92.8 166.01 12.64 Favored 'General case' 0 CA--C 1.57 1.737 0 C-N-CA 124.936 1.294 . . . . 0.0 111.898 171.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 96.2 20.79 24.49 Favored Glycine 0 CA--C 1.556 2.597 0 N-CA-C 117.873 1.909 . . . . 0.0 117.873 -176.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 41.7 t -102.33 11.14 38.55 Favored 'General case' 0 CA--C 1.57 1.741 0 N-CA-C 115.655 1.724 . . . . 0.0 115.655 172.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.1 m -50.95 -17.32 0.56 Allowed 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 116.679 2.103 . . . . 0.0 116.679 147.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 51.9 p -116.34 31.25 6.84 Favored 'General case' 0 CA--C 1.558 1.269 0 N-CA-C 116.155 1.909 . . . . 0.0 116.155 162.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.419 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . -71.22 156.78 39.15 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-O 123.927 1.822 . . . . 0.0 111.044 143.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.3 p -89.15 -36.46 15.68 Favored 'General case' 0 CA--C 1.555 1.155 0 N-CA-C 118.183 2.66 . . . . 0.0 118.183 -176.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.5 p -52.97 -24.01 8.49 Favored 'General case' 0 N--CA 1.505 2.324 0 N-CA-C 118.304 2.705 . . . . 0.0 118.304 156.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 23.2 m -71.94 -26.51 62.32 Favored 'General case' 0 CA--C 1.556 1.19 0 N-CA-C 117.645 2.461 . . . . 0.0 117.645 168.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 49.1 mm-40 -74.62 -36.54 62.94 Favored 'General case' 0 CA--C 1.561 1.373 0 N-CA-C 117.979 2.585 . . . . 0.0 117.979 172.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 33.4 ttp-105 -148.39 139.62 23.32 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 -160.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.921 0 O-C-N 117.958 -2.964 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.424 ' HA ' HD23 ' A' ' 2' ' ' HYP . 32.4 p80 . . . . . 0 N--CA 1.481 1.108 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' HYP . . . . . 0.424 HD23 ' HA ' ' A' ' 1' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.2 t -77.24 -30.5 54.55 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 178.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 13.7 m -99.4 94.63 6.53 Favored 'General case' 0 C--N 1.353 0.738 0 N-CA-C 105.236 -2.135 . . . . 0.0 105.236 166.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.7 tp -106.77 131.48 53.84 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 103.45 -2.796 . . . . 0.0 103.45 175.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 64.5 24.35 13.08 Favored 'General case' 0 CA--C 1.587 2.375 0 CA-C-N 111.46 -2.609 . . . . 0.0 115.03 -170.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.79 -18.46 9.06 Favored Glycine 0 CA--C 1.537 1.429 0 N-CA-C 121.768 3.467 . . . . 0.0 121.768 -157.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -119.36 157.18 28.68 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 126.189 2.9 . . . . 0.0 110.9 -151.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.8 t -86.61 97.34 10.48 Favored 'General case' 0 C--N 1.321 -0.663 1 CA-C-N 108.149 -4.114 . . . . 0.0 111.866 -156.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -104.49 139.56 39.23 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 113.246 -1.797 . . . . 0.0 109.435 -178.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -93.5 67.6 4.01 Favored 'General case' 0 CA--C 1.559 1.292 0 CA-C-N 113.726 -1.579 . . . . 0.0 112.607 -165.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -78.19 163.98 25.33 Favored 'General case' 0 CA--C 1.566 1.568 0 CA-C-N 113.639 -1.619 . . . . 0.0 111.658 162.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.73 20.61 16.37 Favored Glycine 0 CA--C 1.556 2.645 0 N-CA-C 117.911 1.924 . . . . 0.0 117.911 -175.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.51 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 38.8 t -101.12 11.73 38.95 Favored 'General case' 0 CA--C 1.571 1.781 0 N-CA-C 115.745 1.757 . . . . 0.0 115.745 172.48 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.3 p -49.29 -19.15 0.45 Allowed 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 117.255 2.317 . . . . 0.0 117.255 145.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.2 p -112.91 29.06 8.27 Favored 'General case' 0 CA--C 1.558 1.269 0 N-CA-C 116.406 2.002 . . . . 0.0 116.406 163.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.441 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . -71.06 157.69 37.76 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-O 123.964 1.84 . . . . 0.0 111.154 145.293 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.2 p -88.79 -36.71 15.92 Favored 'General case' 0 CA--C 1.554 1.131 0 N-CA-C 118.13 2.641 . . . . 0.0 118.13 -176.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.3 p -52.95 -23.86 8.12 Favored 'General case' 0 N--CA 1.504 2.262 0 N-CA-C 118.197 2.666 . . . . 0.0 118.197 156.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 23.0 m -72.46 -25.09 61.31 Favored 'General case' 0 CA--C 1.557 1.222 0 N-CA-C 117.872 2.545 . . . . 0.0 117.872 168.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 53.1 mm-40 -75.54 -36.89 60.38 Favored 'General case' 0 CA--C 1.562 1.419 0 N-CA-C 117.892 2.553 . . . . 0.0 117.892 174.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 45.1 tpt85 -113.35 78.48 1.14 Allowed 'General case' 0 CA--C 1.572 1.826 0 CA-C-N 118.906 0.776 . . . . 0.0 110.467 -164.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.092 0 O-C-N 117.2 -3.438 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 31.1 p80 . . . . . 0 N--CA 1.481 1.087 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.3 t -73.25 -40.96 64.21 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 117.266 -1.35 . . . . 0.0 113.799 174.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 13.4 m -93.49 95.82 9.5 Favored 'General case' 0 C--N 1.358 0.955 0 N-CA-C 105.387 -2.079 . . . . 0.0 105.387 172.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 21.1 tp -107.69 128.78 54.87 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 103.323 -2.843 . . . . 0.0 103.323 178.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 63.73 24.48 13.86 Favored 'General case' 0 CA--C 1.584 2.269 0 CA-C-N 111.283 -2.689 . . . . 0.0 115.375 -170.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.37 -19.87 12.61 Favored Glycine 0 CA--C 1.538 1.497 0 N-CA-C 121.833 3.493 . . . . 0.0 121.833 -159.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -116.53 154.98 29.45 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-O 125.484 2.564 . . . . 0.0 111.207 -152.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.9 t -86.83 99.49 11.86 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 109.416 -3.538 . . . . 0.0 113.525 -154.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.6 mtt-85 -90.84 168.7 11.52 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 124.959 2.314 . . . . 0.0 111.611 -178.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.97 52.35 0.72 Allowed 'General case' 0 CA--C 1.558 1.281 0 CA-C-N 109.94 -3.3 . . . . 0.0 115.103 -169.043 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -92.88 165.03 13.1 Favored 'General case' 0 CA--C 1.567 1.629 0 C-N-CA 124.668 1.187 . . . . 0.0 111.662 174.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.9 19.53 28.72 Favored Glycine 0 CA--C 1.556 2.628 0 N-CA-C 117.973 1.949 . . . . 0.0 117.973 -176.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.491 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 40.3 t -98.84 9.01 44.35 Favored 'General case' 0 CA--C 1.57 1.734 0 N-CA-C 115.913 1.819 . . . . 0.0 115.913 173.016 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.6 p -49.2 -20.8 0.66 Allowed 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 117.238 2.31 . . . . 0.0 117.238 146.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.2 p -113.17 30.19 7.39 Favored 'General case' 0 CA--C 1.558 1.275 0 N-CA-C 116.162 1.912 . . . . 0.0 116.162 163.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.65 156.53 39.34 Favored 'General case' 0 CA--C 1.548 0.865 0 CA-C-O 123.979 1.847 . . . . 0.0 110.92 144.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.2 p -88.51 -36.31 16.49 Favored 'General case' 0 CA--C 1.556 1.189 0 N-CA-C 118.137 2.643 . . . . 0.0 118.137 -176.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.1 p -52.35 -25.01 8.6 Favored 'General case' 0 N--CA 1.504 2.258 0 N-CA-C 118.254 2.687 . . . . 0.0 118.254 156.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 22.4 m -72.13 -25.85 61.89 Favored 'General case' 0 CA--C 1.555 1.156 0 N-CA-C 117.987 2.588 . . . . 0.0 117.987 169.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -74.63 -36.67 62.91 Favored 'General case' 0 CA--C 1.56 1.353 0 N-CA-C 117.75 2.5 . . . . 0.0 117.75 172.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.3 tpp180 -151.43 140.69 21.35 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 107.397 -1.334 . . . . 0.0 107.397 -161.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.926 0 O-C-N 118.053 -2.905 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 30.2 p80 . . . . . 0 N--CA 1.482 1.129 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.711 ' SG ' ' CB ' ' A' ' 19' ' ' ALA . 5.4 t -66.21 -41.77 89.69 Favored 'General case' 0 N--CA 1.485 1.302 0 CA-C-O 117.912 -1.042 . . . . 0.0 113.79 178.292 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 22.9 m -103.67 100.19 10.01 Favored 'General case' 0 C--N 1.351 0.661 0 N-CA-C 105.171 -2.159 . . . . 0.0 105.171 171.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 20.5 tp -103.8 131.7 50.75 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 104.001 -2.592 . . . . 0.0 104.001 175.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 65.33 21.96 12.0 Favored 'General case' 0 CA--C 1.582 2.2 0 CA-C-N 111.314 -2.675 . . . . 0.0 115.468 -171.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.37 -15.41 34.86 Favored Glycine 0 CA--C 1.535 1.331 0 N-CA-C 121.501 3.361 . . . . 0.0 121.501 -157.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -123.24 157.66 32.61 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 126.287 2.946 . . . . 0.0 110.477 -151.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.1 t -89.21 102.24 14.9 Favored 'General case' 0 C--N 1.318 -0.77 1 CA-C-N 108.191 -4.095 . . . . 0.0 111.834 -154.747 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -113.1 149.01 34.11 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-O 123.599 1.666 . . . . 0.0 110.114 -175.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.53 ' HD3' ' H ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -90.87 58.79 3.93 Favored 'General case' 0 CA--C 1.558 1.275 0 CA-C-N 112.638 -2.073 . . . . 0.0 115.879 -163.83 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -83.02 163.76 20.77 Favored 'General case' 0 CA--C 1.567 1.609 0 CA-C-N 114.45 -1.25 . . . . 0.0 111.471 164.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.08 19.2 31.54 Favored Glycine 0 CA--C 1.559 2.838 0 N-CA-C 118.801 2.28 . . . . 0.0 118.801 -176.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.442 ' O ' ' SG ' ' A' ' 22' ' ' CYS . 23.2 t -95.48 -2.32 48.98 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 126.352 1.861 . . . . 0.0 115.575 171.634 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.8 t -56.11 -29.01 60.02 Favored 'General case' 0 CA--C 1.573 1.834 0 N-CA-C 116.072 1.879 . . . . 0.0 116.072 153.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 59.7 p -87.8 7.32 31.01 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 118.076 2.621 . . . . 0.0 118.076 165.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.711 ' CB ' ' SG ' ' A' ' 4' ' ' CYS . . . -68.48 163.93 22.28 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 123.882 1.801 . . . . 0.0 112.938 156.061 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.4 p -87.57 -36.95 17.25 Favored 'General case' 0 CA--C 1.552 1.044 0 N-CA-C 118.159 2.652 . . . . 0.0 118.159 -172.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.0 p -52.72 -25.13 10.17 Favored 'General case' 0 N--CA 1.507 2.395 0 N-CA-C 118.362 2.727 . . . . 0.0 118.362 158.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.442 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 18.0 m -73.12 -26.47 61.24 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 118.369 2.729 . . . . 0.0 118.369 169.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 57.9 mm-40 -68.04 -44.49 76.33 Favored 'General case' 0 CA--C 1.564 1.51 0 N-CA-C 115.566 1.691 . . . . 0.0 115.566 173.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.5 ttp-105 50.27 58.95 4.93 Favored 'General case' 0 N--CA 1.506 2.352 0 CA-C-N 120.012 1.278 . . . . 0.0 114.228 161.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.275 0 O-C-N 116.661 -3.774 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_