data_2lye_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 2lye _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 61.8 t . . . . . 0 N--CA 1.443 -0.813 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 77.1 m -107.63 122.44 46.7 Favored 'General case' 0 C--N 1.291 -1.969 0 C-N-CA 120.199 -0.601 . . . . 0.0 110.204 179.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -106.97 138.89 42.27 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 177.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 72.9 m -120.38 126.3 50.14 Favored 'General case' 0 C--N 1.292 -1.912 0 CA-C-O 121.75 0.786 . . . . 0.0 110.969 177.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.5 t -103.4 116.22 46.77 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.54 0 N-CA-C 107.111 -1.44 . . . . 0.0 107.111 178.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 75.5 m -104.3 128.27 52.07 Favored 'General case' 0 C--N 1.288 -2.084 0 C-N-CA 119.996 -0.682 . . . . 0.0 111.08 -178.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -144.98 125.83 14.37 Favored 'General case' 0 C--N 1.289 -2.039 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.108 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 63.02 28.62 16.28 Favored 'General case' 0 CA--C 1.558 1.263 0 CA-C-O 122.286 1.041 . . . . 0.0 110.443 175.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.02 -7.41 71.0 Favored Glycine 0 CA--C 1.525 0.701 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.871 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 60.7 t -98.08 124.76 51.31 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.058 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.8 m -107.6 120.33 41.92 Favored 'General case' 0 C--N 1.296 -1.744 0 CA-C-O 121.864 0.84 . . . . 0.0 111.18 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -99.35 110.66 23.14 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 63.2 m -100.66 133.58 44.91 Favored 'General case' 0 C--N 1.285 -2.199 0 CA-C-O 121.839 0.828 . . . . 0.0 110.844 -178.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 58.0 t -121.86 117.46 52.51 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.331 0 CA-C-N 114.38 -1.282 . . . . 0.0 107.69 -178.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 70.7 m -97.94 133.21 42.74 Favored 'General case' 0 C--N 1.292 -1.912 0 CA-C-O 121.422 0.63 . . . . 0.0 110.567 178.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.7 tpt180 . . . . . 0 C--N 1.294 -1.829 0 CA-C-N 114.888 -1.051 . . . . 0.0 109.518 -178.283 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 43.6 t . . . . . 0 C--O 1.249 1.044 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.0 m -102.63 140.51 36.82 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-O 121.397 0.618 . . . . 0.0 112.185 -177.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.2 ptt180 -131.33 127.03 36.81 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.37 175.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 79.8 m -101.3 144.09 30.56 Favored 'General case' 0 C--N 1.288 -2.068 0 CA-C-O 120.954 0.407 . . . . 0.0 111.008 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.6 t -131.51 124.96 55.53 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.317 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 177.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 77.1 m -106.97 136.6 46.55 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-O 121.076 0.465 . . . . 0.0 111.573 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 51.5 ttp180 -139.63 109.17 6.21 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.047 177.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 45.5 ttt180 47.62 53.54 11.03 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.626 1.57 . . . . 0.0 112.518 176.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.2 -19.8 47.41 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.442 -0.799 . . . . 0.0 113.707 176.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 46.1 t -100.9 114.47 40.05 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 -178.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 83.0 m -106.78 121.82 45.15 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-O 121.385 0.612 . . . . 0.0 110.769 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -110.35 121.28 44.91 Favored 'General case' 0 C--N 1.294 -1.845 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 -179.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 59.8 m -102.75 125.88 49.65 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-O 121.719 0.771 . . . . 0.0 110.573 177.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.9 t -103.66 116.75 47.99 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.359 0 CA-C-N 114.071 -1.422 . . . . 0.0 107.479 -178.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 75.2 m -109.07 134.98 50.97 Favored 'General case' 0 C--N 1.284 -2.269 0 CA-C-O 121.179 0.514 . . . . 0.0 110.91 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 . . . . . 0 C--N 1.3 -1.576 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.734 177.175 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 58.0 t . . . . . 0 N--CA 1.444 -0.73 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 72.8 m -93.66 121.38 35.03 Favored 'General case' 0 C--N 1.294 -1.809 0 C-N-CA 119.571 -0.851 . . . . 0.0 109.295 178.013 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -118.79 125.67 50.13 Favored 'General case' 0 N--CA 1.427 -1.591 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.054 -173.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 52.6 m -101.09 137.63 39.2 Favored 'General case' 0 C--N 1.291 -1.949 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.513 177.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.2 p -128.44 134.33 64.95 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.358 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 86.2 m -104.35 128.14 52.13 Favored 'General case' 0 N--CA 1.411 -2.4 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 177.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -134.62 122.02 21.71 Favored 'General case' 0 C--N 1.282 -2.338 0 CA-C-N 115.294 -0.866 . . . . 0.0 108.674 -177.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.8 tpm_? 60.02 29.91 19.44 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-O 122.233 1.016 . . . . 0.0 110.604 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.85 -18.87 51.81 Favored Glycine 0 N--CA 1.44 -1.1 0 CA-C-N 115.367 -0.833 . . . . 0.0 113.2 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 57.7 t -92.3 135.81 26.39 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 -178.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 61.8 m -113.1 129.64 56.44 Favored 'General case' 0 C--N 1.303 -1.444 0 C-N-CA 120.057 -0.657 . . . . 0.0 111.007 -177.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 71.3 mtt180 -129.02 139.08 52.21 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.979 -177.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 38.1 m -111.8 130.59 55.76 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.74 0.781 . . . . 0.0 111.224 -179.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 98.7 t -123.43 128.52 74.74 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.889 0 CA-C-N 114.288 -1.324 . . . . 0.0 107.66 -178.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 64.2 m -92.58 126.92 37.88 Favored 'General case' 0 C--N 1.302 -1.487 0 C-N-CA 120.219 -0.593 . . . . 0.0 110.513 177.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.4 tpm_? . . . . . 0 N--CA 1.424 -1.765 0 CA-C-N 114.845 -1.071 . . . . 0.0 109.188 -173.817 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 99.4 t . . . . . 0 N--CA 1.45 -0.464 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 89.6 m -109.12 128.57 55.12 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-O 120.949 0.404 . . . . 0.0 110.285 178.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -129.76 138.36 51.04 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 38.0 m -111.13 139.17 46.73 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-O 121.395 0.617 . . . . 0.0 111.877 -175.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 39.5 t -115.92 127.15 73.6 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.295 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 77.8 m -99.13 127.66 45.13 Favored 'General case' 0 C--N 1.297 -1.717 0 C-N-CA 119.775 -0.77 . . . . 0.0 110.303 176.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -133.2 107.62 8.28 Favored 'General case' 0 N--CA 1.416 -2.174 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.195 -175.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 57.95 42.14 23.33 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.091 174.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.46 -16.42 60.01 Favored Glycine 0 N--CA 1.446 -0.635 0 CA-C-N 115.433 -0.803 . . . . 0.0 113.583 178.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.7 t -103.66 121.37 55.02 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.058 0 CA-C-N 117.691 0.746 . . . . 0.0 109.378 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 78.6 m -98.1 121.94 40.63 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 121.257 0.551 . . . . 0.0 110.434 179.075 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.4 tpp180 -113.39 137.07 52.05 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 -178.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.8 m -108.78 134.47 51.43 Favored 'General case' 0 C--N 1.302 -1.5 0 C-N-CA 119.876 -0.73 . . . . 0.0 111.926 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 74.5 t -120.28 130.89 73.85 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 CA-C-N 114.655 -1.157 . . . . 0.0 108.259 -178.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 63.1 m -115.5 135.98 53.55 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 120.769 -0.373 . . . . 0.0 111.046 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 . . . . . 0 C--N 1.308 -1.229 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.007 177.013 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 49.1 t . . . . . 0 N--CA 1.446 -0.656 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 77.0 m -106.61 124.17 49.2 Favored 'General case' 0 C--N 1.292 -1.925 0 C-N-CA 120.252 -0.579 . . . . 0.0 109.798 176.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 20.7 tpp180 -122.21 124.22 43.31 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.447 -178.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.46 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 84.6 m -104.43 134.06 48.27 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 172.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.3 t -117.95 119.87 62.83 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.562 0 N-CA-C 106.638 -1.616 . . . . 0.0 106.638 176.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 68.9 m -104.21 130.29 51.98 Favored 'General case' 0 C--N 1.29 -2.002 0 C-N-CA 120.109 -0.636 . . . . 0.0 112.062 -177.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -136.63 111.29 8.68 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-N 114.931 -1.031 . . . . 0.0 109.652 177.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.0 tpm_? 59.93 39.96 19.61 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-O 122.67 1.224 . . . . 0.0 110.695 176.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.98 -7.68 73.72 Favored Glycine 0 N--CA 1.439 -1.114 0 CA-C-N 114.832 -1.077 . . . . 0.0 112.554 177.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 46.8 t -97.19 113.23 31.03 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.139 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 178.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 80.3 m -102.95 121.9 43.49 Favored 'General case' 0 C--N 1.287 -2.131 0 CA-C-O 121.463 0.649 . . . . 0.0 111.129 -178.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.46 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 38.0 mmt180 -97.91 118.63 34.93 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 177.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.0 m -115.3 126.63 54.71 Favored 'General case' 0 C--N 1.299 -1.587 0 CA-C-O 121.263 0.554 . . . . 0.0 110.524 -179.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 72.7 t -127.13 122.89 61.06 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.327 0 CA-C-N 114.889 -1.051 . . . . 0.0 109.302 -177.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.3 m -98.09 129.42 44.92 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 174.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 . . . . . 0 C--N 1.292 -1.928 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.282 -179.441 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 41.3 t . . . . . 0 C--O 1.217 -0.629 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 96.2 m -106.42 123.01 47.43 Favored 'General case' 0 C--N 1.302 -1.457 0 C-N-CA 120.25 -0.58 . . . . 0.0 110.548 176.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -112.02 120.79 43.06 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 177.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 59.5 m -107.23 141.81 37.96 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-O 121.42 0.629 . . . . 0.0 111.765 -176.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.3 p -134.06 136.92 52.96 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.399 0 CA-C-N 115.027 -0.988 . . . . 0.0 108.948 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 64.6 m -112.91 133.86 54.69 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-O 121.049 0.452 . . . . 0.0 110.698 -179.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 51.1 ttp180 -140.11 123.55 17.06 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.195 177.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 62.08 28.04 16.93 Favored 'General case' 0 CA--C 1.556 1.179 0 CA-C-O 122.213 1.006 . . . . 0.0 110.485 176.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.77 -7.55 80.75 Favored Glycine 0 C--N 1.316 -0.528 0 CA-C-N 115.76 -0.654 . . . . 0.0 112.394 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 44.7 t -96.59 122.87 48.53 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.06 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 77.0 m -109.23 121.76 45.85 Favored 'General case' 0 C--N 1.291 -1.973 0 C-N-CA 120.149 -0.62 . . . . 0.0 110.261 -178.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.1 ttp85 -113.7 137.7 51.25 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 178.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 67.5 m -109.13 134.71 51.36 Favored 'General case' 0 C--N 1.29 -2.007 0 CA-C-O 121.608 0.718 . . . . 0.0 110.611 177.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.8 t -102.23 116.19 45.45 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.534 0 N-CA-C 105.825 -1.917 . . . . 0.0 105.825 177.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 95.4 m -111.18 127.17 55.5 Favored 'General case' 0 C--N 1.28 -2.453 0 C-N-CA 120.088 -0.645 . . . . 0.0 110.706 -178.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 . . . . . 0 C--N 1.287 -2.139 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.289 -177.827 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 99.0 t . . . . . 0 N--CA 1.435 -1.193 0 CA-C-O 120.834 0.35 . . . . 0.0 110.438 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 98.9 m -101.63 121.03 41.26 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-O 121.347 0.594 . . . . 0.0 109.491 174.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -106.31 115.21 29.82 Favored 'General case' 0 C--N 1.29 -1.993 0 CA-C-N 114.984 -1.007 . . . . 0.0 108.661 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 63.4 m -111.53 129.52 56.03 Favored 'General case' 0 C--N 1.285 -2.202 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 176.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.1 p -135.49 139.83 45.83 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.656 0 CA-C-N 115.207 -0.906 . . . . 0.0 108.64 -177.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 61.0 m -107.53 136.46 47.26 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-O 121.069 0.461 . . . . 0.0 110.874 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -141.16 116.31 9.94 Favored 'General case' 0 N--CA 1.425 -1.695 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.415 178.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 32.9 ttm180 59.33 39.01 22.83 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.924 -1.034 . . . . 0.0 110.46 176.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.84 -17.53 52.43 Favored Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 115.18 -0.918 . . . . 0.0 112.786 178.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 45.0 t -94.72 112.2 26.86 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 -177.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 68.6 m -93.95 134.39 36.39 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 176.401 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 -133.13 137.96 46.48 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.548 -177.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 79.0 m -114.03 136.58 52.76 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-O 121.594 0.711 . . . . 0.0 110.755 178.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.5 t -118.82 116.41 51.06 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.204 0 N-CA-C 106.509 -1.663 . . . . 0.0 106.509 176.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 92.4 m -102.29 127.28 49.34 Favored 'General case' 0 C--N 1.288 -2.074 0 CA-C-O 121.455 0.645 . . . . 0.0 110.538 178.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 26.4 tpt180 . . . . . 0 N--CA 1.417 -2.1 0 CA-C-N 115.03 -0.986 . . . . 0.0 109.292 -176.535 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 48.2 t . . . . . 0 N--CA 1.439 -0.976 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 96.1 m -99.36 122.18 42.14 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 176.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -133.46 137.88 45.92 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 -178.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 34.4 m -98.89 135.99 39.53 Favored 'General case' 0 C--N 1.305 -1.348 0 CA-C-O 121.38 0.609 . . . . 0.0 110.955 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.3 t -126.09 138.72 53.69 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.377 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 -177.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 69.3 m -109.76 124.0 50.51 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-O 121.336 0.589 . . . . 0.0 110.874 178.624 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -131.31 113.51 13.88 Favored 'General case' 0 C--N 1.293 -1.862 0 CA-C-N 114.861 -1.063 . . . . 0.0 108.993 -177.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 55.77 43.94 26.98 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-O 122.458 1.123 . . . . 0.0 111.039 177.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.29 -9.41 61.25 Favored Glycine 0 N--CA 1.441 -1.026 0 CA-C-N 115.039 -0.982 . . . . 0.0 113.371 177.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 70.5 t -99.08 113.0 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.361 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 179.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 71.6 m -96.47 121.3 38.13 Favored 'General case' 0 C--N 1.284 -2.277 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 177.148 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -124.06 139.23 54.15 Favored 'General case' 0 C--N 1.292 -1.933 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.089 -176.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 52.6 m -101.61 125.49 48.28 Favored 'General case' 0 N--CA 1.423 -1.796 0 CA-C-O 122.212 1.006 . . . . 0.0 110.598 179.449 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 39.8 t -110.22 122.09 64.18 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.547 0 CA-C-N 114.148 -1.387 . . . . 0.0 108.728 -174.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.1 m -105.73 127.52 53.13 Favored 'General case' 0 C--N 1.291 -1.941 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.048 177.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.6 ttp180 . . . . . 0 C--N 1.288 -2.097 0 CA-C-N 115.355 -0.838 . . . . 0.0 110.263 -178.865 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 56.9 t . . . . . 0 N--CA 1.449 -0.483 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 83.6 m -92.99 127.03 38.36 Favored 'General case' 0 C--N 1.297 -1.683 0 CA-C-O 121.377 0.608 . . . . 0.0 112.022 -176.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -128.29 135.39 49.57 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 59.3 m -98.2 146.23 25.82 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 -173.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.4 p -142.1 140.81 29.42 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 178.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 58.2 m -108.56 129.8 55.3 Favored 'General case' 0 C--N 1.298 -1.67 0 C-N-CA 120.246 -0.582 . . . . 0.0 110.423 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -133.8 116.93 16.29 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-N 114.89 -1.05 . . . . 0.0 109.802 -176.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 61.18 34.11 19.01 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.614 1.166 . . . . 0.0 110.633 175.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.15 -1.08 87.66 Favored Glycine 0 N--CA 1.45 -0.415 0 CA-C-N 115.182 -0.917 . . . . 0.0 112.885 178.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.6 t -111.55 120.74 62.73 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.972 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 179.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 84.3 m -92.93 124.07 36.64 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-O 121.08 0.466 . . . . 0.0 110.52 -179.681 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 -124.19 139.09 54.26 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 115.371 -0.831 . . . . 0.0 108.869 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 30.6 m -106.58 125.25 50.77 Favored 'General case' 0 C--N 1.287 -2.132 0 C-N-CA 119.028 -1.069 . . . . 0.0 110.209 177.151 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.4 t -101.43 132.9 46.35 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.315 0 CA-C-N 114.129 -1.396 . . . . 0.0 107.322 -176.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.6 m -106.49 128.41 54.06 Favored 'General case' 0 N--CA 1.414 -2.256 0 CA-C-O 122.11 0.957 . . . . 0.0 111.24 -177.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 . . . . . 0 C--N 1.289 -2.033 0 CA-C-N 113.729 -1.578 . . . . 0.0 108.938 -174.223 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 62.0 t . . . . . 0 N--CA 1.448 -0.549 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.3 m -110.36 133.47 53.23 Favored 'General case' 0 C--N 1.296 -1.751 0 C-N-CA 120.469 -0.493 . . . . 0.0 111.904 -176.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -118.69 125.45 49.71 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 176.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 55.7 m -110.8 136.69 49.48 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 120.887 0.375 . . . . 0.0 110.922 -176.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.2 t -136.12 139.25 46.06 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 177.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 62.9 m -104.14 135.92 44.73 Favored 'General case' 0 C--N 1.302 -1.467 0 CA-C-O 121.033 0.444 . . . . 0.0 110.483 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 23.5 tpt180 -134.52 112.79 11.17 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.038 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? 59.24 37.18 23.83 Favored 'General case' 0 CA--C 1.557 1.249 0 CA-C-O 121.915 0.864 . . . . 0.0 111.212 174.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.95 -14.32 64.63 Favored Glycine 0 C--N 1.318 -0.464 0 CA-C-N 115.897 -0.592 . . . . 0.0 113.056 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.9 t -95.77 115.54 35.17 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.913 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 73.9 m -95.7 125.71 40.47 Favored 'General case' 0 C--N 1.294 -1.843 0 C-N-CA 119.784 -0.766 . . . . 0.0 109.363 176.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 59.5 ttp85 -128.4 136.95 51.59 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.685 -176.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 38.9 m -113.24 131.97 55.7 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 121.412 0.625 . . . . 0.0 111.165 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.2 t -99.23 116.99 43.69 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.123 0 N-CA-C 106.262 -1.755 . . . . 0.0 106.262 177.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.6 m -107.22 134.98 49.51 Favored 'General case' 0 C--N 1.294 -1.827 0 C-N-CA 120.073 -0.651 . . . . 0.0 111.142 -178.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 . . . . . 0 C--N 1.295 -1.763 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.464 178.819 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 43.0 t . . . . . 0 N--CA 1.433 -1.28 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.6 m -103.47 121.48 42.92 Favored 'General case' 0 C--N 1.282 -2.351 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.671 178.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -113.66 134.14 54.91 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 177.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 36.1 m -102.51 121.83 43.14 Favored 'General case' 0 N--CA 1.417 -2.119 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 174.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.8 t -98.91 123.95 51.84 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.606 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 -177.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 60.3 m -102.04 137.1 40.77 Favored 'General case' 0 C--N 1.287 -2.128 0 C-N-CA 119.862 -0.735 . . . . 0.0 111.673 -176.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.7 ttm-85 -134.73 113.1 11.31 Favored 'General case' 0 C--N 1.292 -1.904 0 CA-C-N 114.217 -1.356 . . . . 0.0 108.681 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 54.85 36.75 27.28 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.581 1.152 . . . . 0.0 111.474 178.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.88 -1.47 85.18 Favored Glycine 0 CA--C 1.522 0.505 0 C-N-CA 120.851 -0.69 . . . . 0.0 113.72 177.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.1 t -108.48 129.48 62.82 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 177.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 54.3 m -113.24 129.11 56.61 Favored 'General case' 0 C--N 1.3 -1.553 0 C-N-CA 119.421 -0.912 . . . . 0.0 112.631 -175.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -105.19 127.93 53.16 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 177.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 50.7 m -101.44 126.19 48.19 Favored 'General case' 0 C--N 1.307 -1.258 0 C-N-CA 119.361 -0.936 . . . . 0.0 111.487 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.6 t -119.14 135.58 59.07 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.994 0 CA-C-N 114.341 -1.3 . . . . 0.0 107.771 -177.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 85.3 m -113.59 132.57 55.68 Favored 'General case' 0 C--N 1.302 -1.492 0 C-N-CA 120.212 -0.595 . . . . 0.0 111.725 -178.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 . . . . . 0 C--N 1.296 -1.742 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.788 179.323 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 39.0 t . . . . . 0 N--CA 1.445 -0.683 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 75.6 m -107.64 139.2 42.55 Favored 'General case' 0 C--N 1.294 -1.829 0 C-N-CA 120.962 -0.295 . . . . 0.0 110.277 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 58.5 mtm180 -131.66 138.84 48.91 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 177.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 70.0 m -103.93 133.83 48.24 Favored 'General case' 0 C--N 1.3 -1.545 0 CA-C-O 121.863 0.84 . . . . 0.0 112.194 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.8 t -107.47 116.44 51.02 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.208 0 N-CA-C 106.434 -1.691 . . . . 0.0 106.434 178.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 71.7 m -103.93 131.57 51.04 Favored 'General case' 0 C--N 1.291 -1.948 0 CA-C-O 121.402 0.62 . . . . 0.0 110.942 -179.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -136.04 102.61 5.08 Favored 'General case' 0 C--N 1.287 -2.109 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.376 -178.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 54.58 46.42 24.86 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.202 1.001 . . . . 0.0 111.186 176.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.96 -19.8 46.66 Favored Glycine 0 C--N 1.312 -0.795 0 CA-C-N 115.407 -0.815 . . . . 0.0 113.477 178.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 55.6 t -92.34 112.46 25.91 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.191 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.3 m -103.71 121.42 42.95 Favored 'General case' 0 C--N 1.292 -1.931 0 CA-C-O 121.876 0.846 . . . . 0.0 110.267 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -115.76 124.59 51.16 Favored 'General case' 0 C--N 1.292 -1.93 0 N-CA-C 107.837 -1.171 . . . . 0.0 107.837 -179.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 22.5 m -109.01 134.77 51.21 Favored 'General case' 0 C--N 1.291 -1.946 0 CA-C-O 121.328 0.585 . . . . 0.0 110.912 -174.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 47.5 t -117.41 137.76 50.29 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 -179.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 76.3 m -115.05 146.08 41.64 Favored 'General case' 0 C--N 1.294 -1.833 0 C-N-CA 120.427 -0.509 . . . . 0.0 111.417 -178.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.8 ttp180 . . . . . 0 N--CA 1.429 -1.491 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.707 172.815 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 42.1 t . . . . . 0 N--CA 1.447 -0.602 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 81.4 m -102.82 133.58 47.66 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-O 121.051 0.453 . . . . 0.0 110.676 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 29.1 ttm180 -127.34 138.23 52.98 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 60.8 m -108.93 129.59 55.43 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-O 121.827 0.823 . . . . 0.0 110.67 177.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.2 t -105.75 117.1 50.87 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.256 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 75.0 m -109.54 131.01 55.46 Favored 'General case' 0 C--N 1.293 -1.89 0 CA-C-O 121.381 0.61 . . . . 0.0 111.594 -177.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.7 tpt180 -140.86 115.63 9.64 Favored 'General case' 0 C--N 1.297 -1.715 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.926 179.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 56.0 ttp180 58.71 34.48 23.81 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.553 1.141 . . . . 0.0 110.338 177.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.68 -19.21 49.51 Favored Glycine 0 N--CA 1.443 -0.89 0 CA-C-N 115.244 -0.889 . . . . 0.0 112.9 179.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 68.0 t -84.04 111.52 20.08 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 179.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 86.7 m -102.49 129.35 48.99 Favored 'General case' 0 C--N 1.287 -2.124 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.471 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 -118.87 116.56 26.75 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 107.81 -1.182 . . . . 0.0 107.81 178.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 58.9 m -95.78 133.17 40.21 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-O 121.662 0.744 . . . . 0.0 111.095 179.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.1 t -124.62 137.08 58.58 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.92 0 CA-C-N 114.447 -1.252 . . . . 0.0 107.726 -176.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 75.4 m -118.38 128.99 55.17 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 120.344 -0.542 . . . . 0.0 110.658 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.6 ptt180 . . . . . 0 C--N 1.299 -1.626 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.704 -179.982 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 50.8 t . . . . . 0 C--O 1.223 -0.313 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 77.2 m -108.48 121.74 45.59 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-O 120.997 0.427 . . . . 0.0 110.996 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -115.38 138.97 50.43 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 177.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 38.7 m -114.06 122.04 45.66 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-O 121.812 0.815 . . . . 0.0 110.257 179.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 43.5 t -104.69 128.51 58.27 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.665 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 -176.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 56.9 m -107.47 135.08 49.55 Favored 'General case' 0 C--N 1.289 -2.036 0 CA-C-O 121.402 0.62 . . . . 0.0 111.346 -176.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 36.9 ttt180 -126.71 107.39 10.13 Favored 'General case' 0 C--N 1.291 -1.941 0 CA-C-N 114.65 -1.159 . . . . 0.0 108.425 179.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 57.41 40.19 27.6 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-O 122.296 1.046 . . . . 0.0 110.13 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.83 -14.94 55.2 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 114.95 -1.023 . . . . 0.0 113.479 178.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 44.6 t -88.53 115.48 28.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 64.1 m -103.15 127.91 50.28 Favored 'General case' 0 C--N 1.285 -2.218 0 C-N-CA 120.198 -0.601 . . . . 0.0 112.124 -175.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.2 ptp180 -114.65 138.67 50.4 Favored 'General case' 0 C--N 1.311 -1.082 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 173.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 59.6 m -106.59 137.82 43.91 Favored 'General case' 0 C--N 1.294 -1.812 0 CA-C-O 121.474 0.654 . . . . 0.0 111.107 -178.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 58.2 t -120.13 116.87 51.66 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.849 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.4 m -99.34 127.28 45.34 Favored 'General case' 0 C--N 1.29 -1.999 0 CA-C-O 121.418 0.628 . . . . 0.0 110.161 177.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.3 tpt180 . . . . . 0 C--N 1.293 -1.862 0 CA-C-N 114.789 -1.096 . . . . 0.0 110.428 -178.412 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 59.7 t . . . . . 0 N--CA 1.441 -0.892 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 84.6 m -110.6 125.1 53.04 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-O 121.399 0.618 . . . . 0.0 110.316 179.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -113.74 113.21 24.66 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 57.2 m -104.57 138.92 40.2 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 177.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.2 p -134.64 140.67 45.2 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.403 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 -179.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 71.8 m -101.71 127.79 48.32 Favored 'General case' 0 N--CA 1.432 -1.338 0 CA-C-O 122.242 1.02 . . . . 0.0 112.467 -179.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.0 tpt180 -121.6 92.54 3.77 Favored 'General case' 0 C--N 1.292 -1.933 0 CA-C-N 113.903 -1.499 . . . . 0.0 108.918 -178.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 54.15 52.66 12.29 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 123.937 0.895 . . . . 0.0 111.397 174.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.61 -19.71 46.19 Favored Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 115.435 -0.802 . . . . 0.0 113.142 178.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 51.7 t -97.69 109.46 23.54 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.068 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 60.1 m -98.24 121.6 40.37 Favored 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.4 ptt180 -114.47 137.25 52.08 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.985 -176.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 85.0 m -111.57 133.35 53.9 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 121.803 0.811 . . . . 0.0 111.237 -179.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 84.9 t -118.45 127.82 75.47 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.368 0 N-CA-C 107.019 -1.475 . . . . 0.0 107.019 178.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.5 m -119.79 135.06 55.01 Favored 'General case' 0 C--N 1.295 -1.782 0 C-N-CA 120.247 -0.581 . . . . 0.0 111.287 -177.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 . . . . . 0 C--N 1.304 -1.37 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.152 177.333 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.1 t . . . . . 0 N--CA 1.432 -1.336 0 CA-C-O 121.215 0.531 . . . . 0.0 110.072 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 96.3 m -103.98 124.71 49.51 Favored 'General case' 0 N--CA 1.423 -1.823 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.339 177.238 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 63.0 mtm180 -112.01 118.67 36.08 Favored 'General case' 0 C--N 1.292 -1.894 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 174.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 69.2 m -108.88 141.35 41.06 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.565 -179.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.1 p -135.75 138.65 47.54 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.025 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 178.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 80.8 m -113.91 142.7 45.8 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-O 121.082 0.467 . . . . 0.0 111.332 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 52.7 ttp180 -142.99 105.13 4.41 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.923 174.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.5 ttt180 59.16 42.85 18.06 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-O 122.328 1.061 . . . . 0.0 111.133 173.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.69 -14.05 65.09 Favored Glycine 0 N--CA 1.444 -0.772 0 CA-C-N 115.042 -0.981 . . . . 0.0 113.014 178.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 46.5 t -94.82 109.96 23.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 179.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 73.5 m -108.17 125.16 51.3 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-O 121.093 0.473 . . . . 0.0 110.496 -177.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 63.5 mtm180 -119.17 136.24 54.28 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.738 -178.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 68.2 m -120.6 139.4 53.03 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-O 121.041 0.448 . . . . 0.0 110.435 178.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.2 t -116.43 116.5 52.46 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.127 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 174.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 85.0 m -108.83 133.68 52.55 Favored 'General case' 0 C--N 1.293 -1.849 0 CA-C-O 120.958 0.408 . . . . 0.0 111.299 -179.021 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 50.4 ttp180 . . . . . 0 C--N 1.3 -1.557 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.551 176.775 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 38.9 t . . . . . 0 CA--C 1.497 -1.069 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 57.3 m -98.23 120.87 39.4 Favored 'General case' 0 C--N 1.286 -2.19 0 C-N-CA 118.778 -1.169 . . . . 0.0 108.732 175.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.4 ' HA ' ' NE ' ' A' ' 4' ' ' ARG . 1.0 OUTLIER -121.93 139.8 53.21 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 106.435 -1.691 . . . . 0.0 106.435 -174.289 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 8.4 m -108.66 135.95 49.05 Favored 'General case' 0 C--N 1.288 -2.071 0 C-N-CA 119.298 -0.961 . . . . 0.0 111.908 -173.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.7 m -105.55 140.44 23.61 Favored 'Isoleucine or valine' 0 N--CA 1.405 -2.717 0 CA-C-N 114.987 -1.006 . . . . 0.0 108.349 178.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 59.3 m -109.9 126.38 53.8 Favored 'General case' 0 C--N 1.288 -2.099 0 C-N-CA 119.952 -0.699 . . . . 0.0 110.612 -178.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.6 tpt180 -126.44 112.2 15.33 Favored 'General case' 0 C--N 1.286 -2.179 0 CA-C-N 114.827 -1.079 . . . . 0.0 108.309 -176.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 59.22 41.65 19.82 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-O 122.563 1.173 . . . . 0.0 110.688 177.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.97 -7.01 64.34 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 114.997 -1.001 . . . . 0.0 113.855 178.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 49.1 t -103.71 125.29 58.34 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 65.0 m -102.48 122.93 45.31 Favored 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 120.622 -0.431 . . . . 0.0 111.347 -177.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -119.51 139.61 51.82 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.329 -0.851 . . . . 0.0 109.135 -178.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 59.4 m -102.08 139.18 38.05 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 113.569 0.952 . . . . 0.0 113.569 -173.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.6 t -126.55 140.4 48.98 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.042 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 -179.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 61.2 m -103.46 127.2 50.89 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-O 121.596 0.712 . . . . 0.0 111.076 -179.66 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.435 ' HE ' ' HA ' ' A' ' 17' ' ' ARG . 1.3 tpm_? . . . . . 0 C--N 1.303 -1.423 0 CA-C-N 114.679 -1.146 . . . . 0.0 109.291 -172.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 43.9 t . . . . . 0 N--CA 1.443 -0.799 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 89.5 m -103.47 121.59 43.14 Favored 'General case' 0 C--N 1.289 -2.046 0 CA-C-O 121.268 0.556 . . . . 0.0 110.537 -179.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 20.9 tpp180 -102.97 112.43 25.25 Favored 'General case' 0 C--N 1.293 -1.891 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 70.6 m -107.61 132.4 53.34 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-O 121.271 0.558 . . . . 0.0 109.956 178.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.6 t -124.57 132.25 71.59 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.22 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 -179.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 79.7 m -110.14 133.45 53.2 Favored 'General case' 0 C--N 1.297 -1.699 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.229 179.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -143.44 120.63 11.5 Favored 'General case' 0 C--N 1.294 -1.822 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.455 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 66.3 ttt180 63.23 29.98 15.88 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-O 122.146 0.974 . . . . 0.0 110.193 174.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.63 -3.22 87.21 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.431 -0.804 . . . . 0.0 112.189 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 81.8 t -101.22 115.01 42.13 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.117 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 73.9 m -101.91 125.56 48.61 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 121.167 0.508 . . . . 0.0 110.971 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -120.56 139.08 53.45 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 -178.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 64.1 m -123.85 140.9 52.53 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-O 121.126 0.488 . . . . 0.0 111.177 -178.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.8 p -125.47 124.85 67.8 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.767 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 175.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.1 m -108.26 133.84 51.92 Favored 'General case' 0 C--N 1.298 -1.669 0 C-N-CA 120.239 -0.584 . . . . 0.0 112.382 -176.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 25.8 tpt180 . . . . . 0 C--N 1.303 -1.449 0 CA-C-N 115.041 -0.982 . . . . 0.0 110.437 176.968 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 49.0 t . . . . . 0 C--O 1.217 -0.606 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.5 m -107.03 132.98 52.35 Favored 'General case' 0 C--N 1.289 -2.064 0 C-N-CA 120.396 -0.522 . . . . 0.0 111.309 -177.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -137.68 132.7 33.29 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.522 176.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 51.4 m -89.99 142.17 27.96 Favored 'General case' 0 CA--C 1.486 -1.513 0 CA-C-O 121.774 0.797 . . . . 0.0 112.273 177.364 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.2 p -132.02 141.05 46.47 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.356 0 N-CA-C 105.904 -1.887 . . . . 0.0 105.904 176.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 57.7 m -102.51 131.64 49.09 Favored 'General case' 0 C--N 1.291 -1.952 0 C-N-CA 119.784 -0.767 . . . . 0.0 111.527 -177.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -126.88 107.07 9.77 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-N 114.498 -1.228 . . . . 0.0 107.904 179.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.5 tpt180 51.06 52.85 14.12 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.051 0.94 . . . . 0.0 111.199 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.24 -14.52 33.43 Favored Glycine 0 C--N 1.314 -0.673 0 CA-C-N 115.31 -0.859 . . . . 0.0 113.491 176.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.1 t -96.45 109.93 23.78 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.064 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 56.6 m -95.88 121.45 37.62 Favored 'General case' 0 C--N 1.285 -2.235 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 179.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -125.34 137.72 54.05 Favored 'General case' 0 C--N 1.296 -1.741 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.207 -177.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 27.5 m -90.56 130.45 36.59 Favored 'General case' 0 CA--C 1.479 -1.756 0 CA-C-O 122.568 1.175 . . . . 0.0 111.688 174.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 62.1 t -101.07 126.1 54.89 Favored 'Isoleucine or valine' 0 C--N 1.262 -3.239 0 N-CA-C 104.872 -2.27 . . . . 0.0 104.872 176.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 81.6 m -112.61 130.11 56.14 Favored 'General case' 0 C--N 1.283 -2.292 0 C-N-CA 119.933 -0.707 . . . . 0.0 111.248 -177.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 . . . . . 0 C--N 1.283 -2.296 0 CA-C-N 114.594 -1.184 . . . . 0.0 109.992 178.302 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 41.0 t . . . . . 0 N--CA 1.44 -0.974 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 94.5 m -118.15 135.98 53.89 Favored 'General case' 0 C--N 1.284 -2.241 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.0 178.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -129.39 138.66 51.63 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.007 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 57.4 m -116.41 126.66 53.76 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-O 121.724 0.774 . . . . 0.0 109.89 178.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.0 t -117.91 116.75 52.62 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.116 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.978 -176.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 12.3 m -79.89 129.09 34.21 Favored 'General case' 0 CA--C 1.492 -1.279 0 CA-C-O 122.23 1.014 . . . . 0.0 113.044 176.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -130.81 111.81 12.46 Favored 'General case' 0 C--N 1.284 -2.277 0 CA-C-N 113.322 -1.763 . . . . 0.0 106.901 174.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.9 tpt180 60.85 37.29 18.65 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-O 122.752 1.263 . . . . 0.0 109.276 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.89 -11.12 60.69 Favored Glycine 0 N--CA 1.444 -0.792 0 CA-C-N 114.173 -1.376 . . . . 0.0 113.313 179.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 60.2 t -97.32 109.89 24.15 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.332 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -178.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 5.6 m -80.12 121.98 26.24 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-O 121.888 0.851 . . . . 0.0 111.017 175.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 82.3 mtt180 -102.84 118.35 36.64 Favored 'General case' 0 C--N 1.282 -2.363 0 N-CA-C 106.852 -1.536 . . . . 0.0 106.852 177.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 57.9 m -96.7 129.85 44.03 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-O 122.0 0.905 . . . . 0.0 110.896 -178.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.5 t -118.62 128.14 75.55 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.29 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 95.0 m -115.22 134.64 54.96 Favored 'General case' 0 C--N 1.289 -2.053 0 C-N-CA 120.524 -0.47 . . . . 0.0 110.777 178.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 . . . . . 0 C--N 1.305 -1.329 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.413 178.391 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.576 0 N-CA-C 112.705 -0.158 . . . . 0.0 112.705 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 61.8 t -95.62 118.03 40.96 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 77.1 m -107.63 122.44 46.7 Favored 'General case' 0 C--N 1.291 -1.969 0 C-N-CA 120.199 -0.601 . . . . 0.0 110.204 179.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -106.97 138.89 42.27 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 177.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 72.9 m -120.38 126.3 50.14 Favored 'General case' 0 C--N 1.292 -1.912 0 CA-C-O 121.75 0.786 . . . . 0.0 110.969 177.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.5 t -103.4 116.22 46.77 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.54 0 N-CA-C 107.111 -1.44 . . . . 0.0 107.111 178.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 75.5 m -104.3 128.27 52.07 Favored 'General case' 0 C--N 1.288 -2.084 0 C-N-CA 119.996 -0.682 . . . . 0.0 111.08 -178.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -144.98 125.83 14.37 Favored 'General case' 0 C--N 1.289 -2.039 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.108 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 63.02 28.62 16.28 Favored 'General case' 0 CA--C 1.558 1.263 0 CA-C-O 122.286 1.041 . . . . 0.0 110.443 175.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.02 -7.41 71.0 Favored Glycine 0 CA--C 1.525 0.701 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.871 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 60.7 t -98.08 124.76 51.31 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.058 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.8 m -107.6 120.33 41.92 Favored 'General case' 0 C--N 1.296 -1.744 0 CA-C-O 121.864 0.84 . . . . 0.0 111.18 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -99.35 110.66 23.14 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 63.2 m -100.66 133.58 44.91 Favored 'General case' 0 C--N 1.285 -2.199 0 CA-C-O 121.839 0.828 . . . . 0.0 110.844 -178.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 58.0 t -121.86 117.46 52.51 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.331 0 CA-C-N 114.38 -1.282 . . . . 0.0 107.69 -178.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 70.7 m -97.94 133.21 42.74 Favored 'General case' 0 C--N 1.292 -1.912 0 CA-C-O 121.422 0.63 . . . . 0.0 110.567 178.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.7 tpt180 -144.02 110.65 5.59 Favored 'General case' 0 C--N 1.294 -1.829 0 CA-C-N 114.888 -1.051 . . . . 0.0 109.518 -178.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 63.5 ttt180 . . . . . 0 CA--C 1.55 0.958 0 C-N-CA 124.178 0.991 . . . . 0.0 111.205 175.851 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.844 0 CA-C-O 120.287 -0.174 . . . . 0.0 113.476 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 43.6 t -93.8 109.27 21.69 Favored 'Isoleucine or valine' 0 C--O 1.249 1.044 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.0 m -102.63 140.51 36.82 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-O 121.397 0.618 . . . . 0.0 112.185 -177.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.2 ptt180 -131.33 127.03 36.81 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.37 175.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 79.8 m -101.3 144.09 30.56 Favored 'General case' 0 C--N 1.288 -2.068 0 CA-C-O 120.954 0.407 . . . . 0.0 111.008 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.6 t -131.51 124.96 55.53 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.317 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 177.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 77.1 m -106.97 136.6 46.55 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-O 121.076 0.465 . . . . 0.0 111.573 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 51.5 ttp180 -139.63 109.17 6.21 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.047 177.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 45.5 ttt180 47.62 53.54 11.03 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.626 1.57 . . . . 0.0 112.518 176.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.2 -19.8 47.41 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.442 -0.799 . . . . 0.0 113.707 176.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 46.1 t -100.9 114.47 40.05 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 -178.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 83.0 m -106.78 121.82 45.15 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-O 121.385 0.612 . . . . 0.0 110.769 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -110.35 121.28 44.91 Favored 'General case' 0 C--N 1.294 -1.845 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 -179.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 59.8 m -102.75 125.88 49.65 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-O 121.719 0.771 . . . . 0.0 110.573 177.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.9 t -103.66 116.75 47.99 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.359 0 CA-C-N 114.071 -1.422 . . . . 0.0 107.479 -178.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 75.2 m -109.07 134.98 50.97 Favored 'General case' 0 C--N 1.284 -2.269 0 CA-C-O 121.179 0.514 . . . . 0.0 110.91 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -137.32 107.99 6.59 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.734 177.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 . . . . . 0 C--N 1.32 -0.71 0 C-N-CA 125.279 1.432 . . . . 0.0 110.768 176.443 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.22 0 CA-C-O 120.362 -0.132 . . . . 0.0 113.071 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 58.0 t -100.78 125.1 54.72 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 -178.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 72.8 m -93.66 121.38 35.03 Favored 'General case' 0 C--N 1.294 -1.809 0 C-N-CA 119.571 -0.851 . . . . 0.0 109.295 178.013 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -118.79 125.67 50.13 Favored 'General case' 0 N--CA 1.427 -1.591 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.054 -173.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 52.6 m -101.09 137.63 39.2 Favored 'General case' 0 C--N 1.291 -1.949 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.513 177.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.2 p -128.44 134.33 64.95 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.358 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 86.2 m -104.35 128.14 52.13 Favored 'General case' 0 N--CA 1.411 -2.4 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 177.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -134.62 122.02 21.71 Favored 'General case' 0 C--N 1.282 -2.338 0 CA-C-N 115.294 -0.866 . . . . 0.0 108.674 -177.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.8 tpm_? 60.02 29.91 19.44 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-O 122.233 1.016 . . . . 0.0 110.604 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.85 -18.87 51.81 Favored Glycine 0 N--CA 1.44 -1.1 0 CA-C-N 115.367 -0.833 . . . . 0.0 113.2 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 57.7 t -92.3 135.81 26.39 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 -178.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 61.8 m -113.1 129.64 56.44 Favored 'General case' 0 C--N 1.303 -1.444 0 C-N-CA 120.057 -0.657 . . . . 0.0 111.007 -177.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 71.3 mtt180 -129.02 139.08 52.21 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.979 -177.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 38.1 m -111.8 130.59 55.76 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.74 0.781 . . . . 0.0 111.224 -179.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 98.7 t -123.43 128.52 74.74 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.889 0 CA-C-N 114.288 -1.324 . . . . 0.0 107.66 -178.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 64.2 m -92.58 126.92 37.88 Favored 'General case' 0 C--N 1.302 -1.487 0 C-N-CA 120.219 -0.593 . . . . 0.0 110.513 177.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.4 tpm_? -133.39 109.81 9.59 Favored 'General case' 0 N--CA 1.424 -1.765 0 CA-C-N 114.845 -1.071 . . . . 0.0 109.188 -173.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 53.6 ttp180 . . . . . 0 CA--C 1.542 0.663 0 CA-C-O 122.124 0.964 . . . . 0.0 111.116 173.187 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.235 0 N-CA-C 112.332 -0.307 . . . . 0.0 112.332 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 99.4 t -89.71 125.88 42.65 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.145 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 -177.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 89.6 m -109.12 128.57 55.12 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-O 120.949 0.404 . . . . 0.0 110.285 178.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -129.76 138.36 51.04 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 38.0 m -111.13 139.17 46.73 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-O 121.395 0.617 . . . . 0.0 111.877 -175.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 39.5 t -115.92 127.15 73.6 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.295 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 77.8 m -99.13 127.66 45.13 Favored 'General case' 0 C--N 1.297 -1.717 0 C-N-CA 119.775 -0.77 . . . . 0.0 110.303 176.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -133.2 107.62 8.28 Favored 'General case' 0 N--CA 1.416 -2.174 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.195 -175.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 57.95 42.14 23.33 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.091 174.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.46 -16.42 60.01 Favored Glycine 0 N--CA 1.446 -0.635 0 CA-C-N 115.433 -0.803 . . . . 0.0 113.583 178.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.7 t -103.66 121.37 55.02 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.058 0 CA-C-N 117.691 0.746 . . . . 0.0 109.378 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 78.6 m -98.1 121.94 40.63 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 121.257 0.551 . . . . 0.0 110.434 179.075 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.4 tpp180 -113.39 137.07 52.05 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 -178.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.8 m -108.78 134.47 51.43 Favored 'General case' 0 C--N 1.302 -1.5 0 C-N-CA 119.876 -0.73 . . . . 0.0 111.926 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 74.5 t -120.28 130.89 73.85 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 CA-C-N 114.655 -1.157 . . . . 0.0 108.259 -178.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 63.1 m -115.5 135.98 53.55 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 120.769 -0.373 . . . . 0.0 111.046 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -142.5 129.4 20.62 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.007 177.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 . . . . . 0 CA--C 1.559 1.325 0 CA-C-O 122.306 1.05 . . . . 0.0 111.776 174.323 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.587 0 N-CA-C 112.254 -0.338 . . . . 0.0 112.254 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 49.1 t -117.2 126.58 74.6 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.153 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 77.0 m -106.61 124.17 49.2 Favored 'General case' 0 C--N 1.292 -1.925 0 C-N-CA 120.252 -0.579 . . . . 0.0 109.798 176.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 20.7 tpp180 -122.21 124.22 43.31 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.447 -178.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.46 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 84.6 m -104.43 134.06 48.27 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 172.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.3 t -117.95 119.87 62.83 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.562 0 N-CA-C 106.638 -1.616 . . . . 0.0 106.638 176.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 68.9 m -104.21 130.29 51.98 Favored 'General case' 0 C--N 1.29 -2.002 0 C-N-CA 120.109 -0.636 . . . . 0.0 112.062 -177.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -136.63 111.29 8.68 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-N 114.931 -1.031 . . . . 0.0 109.652 177.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.0 tpm_? 59.93 39.96 19.61 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-O 122.67 1.224 . . . . 0.0 110.695 176.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.98 -7.68 73.72 Favored Glycine 0 N--CA 1.439 -1.114 0 CA-C-N 114.832 -1.077 . . . . 0.0 112.554 177.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 46.8 t -97.19 113.23 31.03 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.139 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 178.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 80.3 m -102.95 121.9 43.49 Favored 'General case' 0 C--N 1.287 -2.131 0 CA-C-O 121.463 0.649 . . . . 0.0 111.129 -178.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.46 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 38.0 mmt180 -97.91 118.63 34.93 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 177.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.0 m -115.3 126.63 54.71 Favored 'General case' 0 C--N 1.299 -1.587 0 CA-C-O 121.263 0.554 . . . . 0.0 110.524 -179.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 72.7 t -127.13 122.89 61.06 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.327 0 CA-C-N 114.889 -1.051 . . . . 0.0 109.302 -177.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.3 m -98.09 129.42 44.92 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 174.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -153.74 133.68 13.16 Favored 'General case' 0 C--N 1.292 -1.928 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.282 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.5 tpt180 . . . . . 0 CA--C 1.553 1.086 0 C-N-CA 123.679 0.792 . . . . 0.0 111.797 172.599 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.507 0 N-CA-C 113.626 0.21 . . . . 0.0 113.626 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 41.3 t -113.42 113.39 43.84 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 O-C-N 122.209 -0.583 . . . . 0.0 109.719 178.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 96.2 m -106.42 123.01 47.43 Favored 'General case' 0 C--N 1.302 -1.457 0 C-N-CA 120.25 -0.58 . . . . 0.0 110.548 176.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -112.02 120.79 43.06 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 177.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 59.5 m -107.23 141.81 37.96 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-O 121.42 0.629 . . . . 0.0 111.765 -176.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.3 p -134.06 136.92 52.96 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.399 0 CA-C-N 115.027 -0.988 . . . . 0.0 108.948 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 64.6 m -112.91 133.86 54.69 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-O 121.049 0.452 . . . . 0.0 110.698 -179.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 51.1 ttp180 -140.11 123.55 17.06 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.195 177.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 62.08 28.04 16.93 Favored 'General case' 0 CA--C 1.556 1.179 0 CA-C-O 122.213 1.006 . . . . 0.0 110.485 176.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.77 -7.55 80.75 Favored Glycine 0 C--N 1.316 -0.528 0 CA-C-N 115.76 -0.654 . . . . 0.0 112.394 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 44.7 t -96.59 122.87 48.53 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.06 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 77.0 m -109.23 121.76 45.85 Favored 'General case' 0 C--N 1.291 -1.973 0 C-N-CA 120.149 -0.62 . . . . 0.0 110.261 -178.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.1 ttp85 -113.7 137.7 51.25 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 178.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 67.5 m -109.13 134.71 51.36 Favored 'General case' 0 C--N 1.29 -2.007 0 CA-C-O 121.608 0.718 . . . . 0.0 110.611 177.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.8 t -102.23 116.19 45.45 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.534 0 N-CA-C 105.825 -1.917 . . . . 0.0 105.825 177.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 95.4 m -111.18 127.17 55.5 Favored 'General case' 0 C--N 1.28 -2.453 0 C-N-CA 120.088 -0.645 . . . . 0.0 110.706 -178.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -135.99 102.27 4.98 Favored 'General case' 0 C--N 1.287 -2.139 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.289 -177.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.7 tpt180 . . . . . 0 C--N 1.315 -0.923 0 C-N-CA 125.545 1.538 . . . . 0.0 112.898 174.583 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.937 0 N-CA-C 113.286 0.074 . . . . 0.0 113.286 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 99.0 t -105.42 111.17 33.64 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.193 0 O-C-N 122.111 -0.641 . . . . 0.0 110.438 -179.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 98.9 m -101.63 121.03 41.26 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-O 121.347 0.594 . . . . 0.0 109.491 174.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -106.31 115.21 29.82 Favored 'General case' 0 C--N 1.29 -1.993 0 CA-C-N 114.984 -1.007 . . . . 0.0 108.661 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 63.4 m -111.53 129.52 56.03 Favored 'General case' 0 C--N 1.285 -2.202 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 176.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.1 p -135.49 139.83 45.83 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.656 0 CA-C-N 115.207 -0.906 . . . . 0.0 108.64 -177.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 61.0 m -107.53 136.46 47.26 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-O 121.069 0.461 . . . . 0.0 110.874 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -141.16 116.31 9.94 Favored 'General case' 0 N--CA 1.425 -1.695 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.415 178.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 32.9 ttm180 59.33 39.01 22.83 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.924 -1.034 . . . . 0.0 110.46 176.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.84 -17.53 52.43 Favored Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 115.18 -0.918 . . . . 0.0 112.786 178.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 45.0 t -94.72 112.2 26.86 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 -177.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 68.6 m -93.95 134.39 36.39 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 176.401 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 -133.13 137.96 46.48 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.548 -177.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 79.0 m -114.03 136.58 52.76 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-O 121.594 0.711 . . . . 0.0 110.755 178.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.5 t -118.82 116.41 51.06 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.204 0 N-CA-C 106.509 -1.663 . . . . 0.0 106.509 176.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 92.4 m -102.29 127.28 49.34 Favored 'General case' 0 C--N 1.288 -2.074 0 CA-C-O 121.455 0.645 . . . . 0.0 110.538 178.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 26.4 tpt180 -139.3 100.41 3.99 Favored 'General case' 0 N--CA 1.417 -2.1 0 CA-C-N 115.03 -0.986 . . . . 0.0 109.292 -176.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 . . . . . 0 C--O 1.242 0.672 0 C-N-CA 124.486 1.114 . . . . 0.0 112.63 175.041 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.148 0 N-CA-C 112.563 -0.215 . . . . 0.0 112.563 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 48.2 t -97.1 112.76 29.82 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.101 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 -177.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 96.1 m -99.36 122.18 42.14 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 176.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -133.46 137.88 45.92 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 -178.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 34.4 m -98.89 135.99 39.53 Favored 'General case' 0 C--N 1.305 -1.348 0 CA-C-O 121.38 0.609 . . . . 0.0 110.955 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.3 t -126.09 138.72 53.69 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.377 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 -177.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 69.3 m -109.76 124.0 50.51 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-O 121.336 0.589 . . . . 0.0 110.874 178.624 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -131.31 113.51 13.88 Favored 'General case' 0 C--N 1.293 -1.862 0 CA-C-N 114.861 -1.063 . . . . 0.0 108.993 -177.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 55.77 43.94 26.98 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-O 122.458 1.123 . . . . 0.0 111.039 177.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.29 -9.41 61.25 Favored Glycine 0 N--CA 1.441 -1.026 0 CA-C-N 115.039 -0.982 . . . . 0.0 113.371 177.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 70.5 t -99.08 113.0 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.361 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 179.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 71.6 m -96.47 121.3 38.13 Favored 'General case' 0 C--N 1.284 -2.277 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 177.148 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -124.06 139.23 54.15 Favored 'General case' 0 C--N 1.292 -1.933 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.089 -176.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 52.6 m -101.61 125.49 48.28 Favored 'General case' 0 N--CA 1.423 -1.796 0 CA-C-O 122.212 1.006 . . . . 0.0 110.598 179.449 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 39.8 t -110.22 122.09 64.18 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.547 0 CA-C-N 114.148 -1.387 . . . . 0.0 108.728 -174.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.1 m -105.73 127.52 53.13 Favored 'General case' 0 C--N 1.291 -1.941 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.048 177.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.6 ttp180 -148.86 121.82 8.79 Favored 'General case' 0 C--N 1.288 -2.097 0 CA-C-N 115.355 -0.838 . . . . 0.0 110.263 -178.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.1 tpp180 . . . . . 0 C--N 1.321 -0.641 0 C-N-CA 124.477 1.111 . . . . 0.0 111.075 174.974 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.053 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 56.9 t -86.62 113.82 24.99 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.944 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -177.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 83.6 m -92.99 127.03 38.36 Favored 'General case' 0 C--N 1.297 -1.683 0 CA-C-O 121.377 0.608 . . . . 0.0 112.022 -176.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -128.29 135.39 49.57 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 59.3 m -98.2 146.23 25.82 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 -173.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.4 p -142.1 140.81 29.42 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 178.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 58.2 m -108.56 129.8 55.3 Favored 'General case' 0 C--N 1.298 -1.67 0 C-N-CA 120.246 -0.582 . . . . 0.0 110.423 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -133.8 116.93 16.29 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-N 114.89 -1.05 . . . . 0.0 109.802 -176.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 61.18 34.11 19.01 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.614 1.166 . . . . 0.0 110.633 175.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.15 -1.08 87.66 Favored Glycine 0 N--CA 1.45 -0.415 0 CA-C-N 115.182 -0.917 . . . . 0.0 112.885 178.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.6 t -111.55 120.74 62.73 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.972 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 179.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 84.3 m -92.93 124.07 36.64 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-O 121.08 0.466 . . . . 0.0 110.52 -179.681 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 -124.19 139.09 54.26 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 115.371 -0.831 . . . . 0.0 108.869 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 30.6 m -106.58 125.25 50.77 Favored 'General case' 0 C--N 1.287 -2.132 0 C-N-CA 119.028 -1.069 . . . . 0.0 110.209 177.151 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.4 t -101.43 132.9 46.35 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.315 0 CA-C-N 114.129 -1.396 . . . . 0.0 107.322 -176.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.6 m -106.49 128.41 54.06 Favored 'General case' 0 N--CA 1.414 -2.256 0 CA-C-O 122.11 0.957 . . . . 0.0 111.24 -177.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -117.42 100.67 7.82 Favored 'General case' 0 C--N 1.289 -2.033 0 CA-C-N 113.729 -1.578 . . . . 0.0 108.938 -174.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 . . . . . 0 CA--C 1.548 0.896 0 CA-C-O 122.9 1.333 . . . . 0.0 110.05 177.836 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.974 0 N-CA-C 112.12 -0.392 . . . . 0.0 112.12 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 62.0 t -87.62 118.59 33.73 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 -179.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.3 m -110.36 133.47 53.23 Favored 'General case' 0 C--N 1.296 -1.751 0 C-N-CA 120.469 -0.493 . . . . 0.0 111.904 -176.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -118.69 125.45 49.71 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 176.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 55.7 m -110.8 136.69 49.48 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 120.887 0.375 . . . . 0.0 110.922 -176.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.2 t -136.12 139.25 46.06 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 177.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 62.9 m -104.14 135.92 44.73 Favored 'General case' 0 C--N 1.302 -1.467 0 CA-C-O 121.033 0.444 . . . . 0.0 110.483 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 23.5 tpt180 -134.52 112.79 11.17 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.038 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? 59.24 37.18 23.83 Favored 'General case' 0 CA--C 1.557 1.249 0 CA-C-O 121.915 0.864 . . . . 0.0 111.212 174.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.95 -14.32 64.63 Favored Glycine 0 C--N 1.318 -0.464 0 CA-C-N 115.897 -0.592 . . . . 0.0 113.056 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.9 t -95.77 115.54 35.17 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.913 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 73.9 m -95.7 125.71 40.47 Favored 'General case' 0 C--N 1.294 -1.843 0 C-N-CA 119.784 -0.766 . . . . 0.0 109.363 176.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 59.5 ttp85 -128.4 136.95 51.59 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.685 -176.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 38.9 m -113.24 131.97 55.7 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 121.412 0.625 . . . . 0.0 111.165 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.2 t -99.23 116.99 43.69 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.123 0 N-CA-C 106.262 -1.755 . . . . 0.0 106.262 177.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.6 m -107.22 134.98 49.51 Favored 'General case' 0 C--N 1.294 -1.827 0 C-N-CA 120.073 -0.651 . . . . 0.0 111.142 -178.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -136.73 110.82 8.31 Favored 'General case' 0 C--N 1.295 -1.763 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.464 178.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 . . . . . 0 CA--C 1.546 0.812 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.139 174.722 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.785 0 N-CA-C 112.641 -0.184 . . . . 0.0 112.641 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 43.0 t -108.92 117.83 55.16 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.28 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 -179.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.6 m -103.47 121.48 42.92 Favored 'General case' 0 C--N 1.282 -2.351 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.671 178.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -113.66 134.14 54.91 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 177.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 36.1 m -102.51 121.83 43.14 Favored 'General case' 0 N--CA 1.417 -2.119 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 174.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.8 t -98.91 123.95 51.84 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.606 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 -177.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 60.3 m -102.04 137.1 40.77 Favored 'General case' 0 C--N 1.287 -2.128 0 C-N-CA 119.862 -0.735 . . . . 0.0 111.673 -176.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.7 ttm-85 -134.73 113.1 11.31 Favored 'General case' 0 C--N 1.292 -1.904 0 CA-C-N 114.217 -1.356 . . . . 0.0 108.681 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 54.85 36.75 27.28 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.581 1.152 . . . . 0.0 111.474 178.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.88 -1.47 85.18 Favored Glycine 0 CA--C 1.522 0.505 0 C-N-CA 120.851 -0.69 . . . . 0.0 113.72 177.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.1 t -108.48 129.48 62.82 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 177.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 54.3 m -113.24 129.11 56.61 Favored 'General case' 0 C--N 1.3 -1.553 0 C-N-CA 119.421 -0.912 . . . . 0.0 112.631 -175.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -105.19 127.93 53.16 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 177.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 50.7 m -101.44 126.19 48.19 Favored 'General case' 0 C--N 1.307 -1.258 0 C-N-CA 119.361 -0.936 . . . . 0.0 111.487 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.6 t -119.14 135.58 59.07 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.994 0 CA-C-N 114.341 -1.3 . . . . 0.0 107.771 -177.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 85.3 m -113.59 132.57 55.68 Favored 'General case' 0 C--N 1.302 -1.492 0 C-N-CA 120.212 -0.595 . . . . 0.0 111.725 -178.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 -143.65 118.74 10.08 Favored 'General case' 0 C--N 1.296 -1.742 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.788 179.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 . . . . . 0 CA--C 1.542 0.668 0 C-N-CA 124.087 0.955 . . . . 0.0 111.223 174.808 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.141 0 N-CA-C 113.934 0.334 . . . . 0.0 113.934 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 39.0 t -100.1 114.06 37.49 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.001 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 -179.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 75.6 m -107.64 139.2 42.55 Favored 'General case' 0 C--N 1.294 -1.829 0 C-N-CA 120.962 -0.295 . . . . 0.0 110.277 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 58.5 mtm180 -131.66 138.84 48.91 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 177.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 70.0 m -103.93 133.83 48.24 Favored 'General case' 0 C--N 1.3 -1.545 0 CA-C-O 121.863 0.84 . . . . 0.0 112.194 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.8 t -107.47 116.44 51.02 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.208 0 N-CA-C 106.434 -1.691 . . . . 0.0 106.434 178.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 71.7 m -103.93 131.57 51.04 Favored 'General case' 0 C--N 1.291 -1.948 0 CA-C-O 121.402 0.62 . . . . 0.0 110.942 -179.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -136.04 102.61 5.08 Favored 'General case' 0 C--N 1.287 -2.109 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.376 -178.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 54.58 46.42 24.86 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.202 1.001 . . . . 0.0 111.186 176.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.96 -19.8 46.66 Favored Glycine 0 C--N 1.312 -0.795 0 CA-C-N 115.407 -0.815 . . . . 0.0 113.477 178.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 55.6 t -92.34 112.46 25.91 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.191 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.3 m -103.71 121.42 42.95 Favored 'General case' 0 C--N 1.292 -1.931 0 CA-C-O 121.876 0.846 . . . . 0.0 110.267 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -115.76 124.59 51.16 Favored 'General case' 0 C--N 1.292 -1.93 0 N-CA-C 107.837 -1.171 . . . . 0.0 107.837 -179.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 22.5 m -109.01 134.77 51.21 Favored 'General case' 0 C--N 1.291 -1.946 0 CA-C-O 121.328 0.585 . . . . 0.0 110.912 -174.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 47.5 t -117.41 137.76 50.29 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 -179.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 76.3 m -115.05 146.08 41.64 Favored 'General case' 0 C--N 1.294 -1.833 0 C-N-CA 120.427 -0.509 . . . . 0.0 111.417 -178.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.8 ttp180 -139.12 107.48 5.81 Favored 'General case' 0 N--CA 1.429 -1.491 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.707 172.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 57.9 ttp180 . . . . . 0 CA--C 1.539 0.533 0 C-N-CA 126.059 1.743 . . . . 0.0 112.241 177.077 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -1.02 0 N-CA-C 112.343 -0.303 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 42.1 t -107.94 130.63 60.06 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.083 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 -178.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 81.4 m -102.82 133.58 47.66 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-O 121.051 0.453 . . . . 0.0 110.676 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 29.1 ttm180 -127.34 138.23 52.98 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 60.8 m -108.93 129.59 55.43 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-O 121.827 0.823 . . . . 0.0 110.67 177.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.2 t -105.75 117.1 50.87 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.256 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 75.0 m -109.54 131.01 55.46 Favored 'General case' 0 C--N 1.293 -1.89 0 CA-C-O 121.381 0.61 . . . . 0.0 111.594 -177.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.7 tpt180 -140.86 115.63 9.64 Favored 'General case' 0 C--N 1.297 -1.715 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.926 179.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 56.0 ttp180 58.71 34.48 23.81 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.553 1.141 . . . . 0.0 110.338 177.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.68 -19.21 49.51 Favored Glycine 0 N--CA 1.443 -0.89 0 CA-C-N 115.244 -0.889 . . . . 0.0 112.9 179.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 68.0 t -84.04 111.52 20.08 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 179.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 86.7 m -102.49 129.35 48.99 Favored 'General case' 0 C--N 1.287 -2.124 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.471 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 -118.87 116.56 26.75 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 107.81 -1.182 . . . . 0.0 107.81 178.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 58.9 m -95.78 133.17 40.21 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-O 121.662 0.744 . . . . 0.0 111.095 179.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.1 t -124.62 137.08 58.58 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.92 0 CA-C-N 114.447 -1.252 . . . . 0.0 107.726 -176.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 75.4 m -118.38 128.99 55.17 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 120.344 -0.542 . . . . 0.0 110.658 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.6 ptt180 -149.18 140.58 23.27 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.704 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.48 ' HG2' ' O ' ' A' ' 18' ' ' ARG . 45.4 ttt180 . . . . . 0 CA--C 1.559 1.296 0 CA-C-O 122.788 1.28 . . . . 0.0 110.544 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.782 0 N-CA-C 114.023 0.369 . . . . 0.0 114.023 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 50.8 t -115.69 122.84 70.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 117.777 0.789 . . . . 0.0 109.582 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 77.2 m -108.48 121.74 45.59 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-O 120.997 0.427 . . . . 0.0 110.996 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -115.38 138.97 50.43 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 177.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 38.7 m -114.06 122.04 45.66 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-O 121.812 0.815 . . . . 0.0 110.257 179.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 43.5 t -104.69 128.51 58.27 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.665 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 -176.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 56.9 m -107.47 135.08 49.55 Favored 'General case' 0 C--N 1.289 -2.036 0 CA-C-O 121.402 0.62 . . . . 0.0 111.346 -176.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 36.9 ttt180 -126.71 107.39 10.13 Favored 'General case' 0 C--N 1.291 -1.941 0 CA-C-N 114.65 -1.159 . . . . 0.0 108.425 179.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 57.41 40.19 27.6 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-O 122.296 1.046 . . . . 0.0 110.13 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.83 -14.94 55.2 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 114.95 -1.023 . . . . 0.0 113.479 178.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 44.6 t -88.53 115.48 28.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 64.1 m -103.15 127.91 50.28 Favored 'General case' 0 C--N 1.285 -2.218 0 C-N-CA 120.198 -0.601 . . . . 0.0 112.124 -175.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.2 ptp180 -114.65 138.67 50.4 Favored 'General case' 0 C--N 1.311 -1.082 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 173.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 59.6 m -106.59 137.82 43.91 Favored 'General case' 0 C--N 1.294 -1.812 0 CA-C-O 121.474 0.654 . . . . 0.0 111.107 -178.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 58.2 t -120.13 116.87 51.66 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.849 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.4 m -99.34 127.28 45.34 Favored 'General case' 0 C--N 1.29 -1.999 0 CA-C-O 121.418 0.628 . . . . 0.0 110.161 177.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.3 tpt180 -131.8 104.73 7.05 Favored 'General case' 0 C--N 1.293 -1.862 0 CA-C-N 114.789 -1.096 . . . . 0.0 110.428 -178.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 . . . . . 0 C--O 1.241 0.632 0 C-N-CA 125.376 1.471 . . . . 0.0 112.089 173.307 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.931 0 N-CA-C 113.328 0.091 . . . . 0.0 113.328 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 59.7 t -102.31 121.32 53.22 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.133 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 84.6 m -110.6 125.1 53.04 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-O 121.399 0.618 . . . . 0.0 110.316 179.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -113.74 113.21 24.66 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 57.2 m -104.57 138.92 40.2 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 177.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.2 p -134.64 140.67 45.2 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.403 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 -179.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 71.8 m -101.71 127.79 48.32 Favored 'General case' 0 N--CA 1.432 -1.338 0 CA-C-O 122.242 1.02 . . . . 0.0 112.467 -179.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.0 tpt180 -121.6 92.54 3.77 Favored 'General case' 0 C--N 1.292 -1.933 0 CA-C-N 113.903 -1.499 . . . . 0.0 108.918 -178.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 54.15 52.66 12.29 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 123.937 0.895 . . . . 0.0 111.397 174.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.61 -19.71 46.19 Favored Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 115.435 -0.802 . . . . 0.0 113.142 178.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 51.7 t -97.69 109.46 23.54 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.068 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 60.1 m -98.24 121.6 40.37 Favored 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.4 ptt180 -114.47 137.25 52.08 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.985 -176.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 85.0 m -111.57 133.35 53.9 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 121.803 0.811 . . . . 0.0 111.237 -179.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 84.9 t -118.45 127.82 75.47 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.368 0 N-CA-C 107.019 -1.475 . . . . 0.0 107.019 178.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.5 m -119.79 135.06 55.01 Favored 'General case' 0 C--N 1.295 -1.782 0 C-N-CA 120.247 -0.581 . . . . 0.0 111.287 -177.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 -145.92 119.66 9.23 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.152 177.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 45.1 ttt180 . . . . . 0 CA--C 1.551 0.991 0 C-N-CA 125.137 1.375 . . . . 0.0 111.905 175.276 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.97 0 CA-C-O 120.271 -0.183 . . . . 0.0 113.358 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.1 t -98.35 107.64 20.66 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.336 0 CA-C-O 121.215 0.531 . . . . 0.0 110.072 -178.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 96.3 m -103.98 124.71 49.51 Favored 'General case' 0 N--CA 1.423 -1.823 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.339 177.238 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 63.0 mtm180 -112.01 118.67 36.08 Favored 'General case' 0 C--N 1.292 -1.894 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 174.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 69.2 m -108.88 141.35 41.06 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.565 -179.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.1 p -135.75 138.65 47.54 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.025 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 178.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 80.8 m -113.91 142.7 45.8 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-O 121.082 0.467 . . . . 0.0 111.332 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 52.7 ttp180 -142.99 105.13 4.41 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.923 174.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.5 ttt180 59.16 42.85 18.06 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-O 122.328 1.061 . . . . 0.0 111.133 173.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.69 -14.05 65.09 Favored Glycine 0 N--CA 1.444 -0.772 0 CA-C-N 115.042 -0.981 . . . . 0.0 113.014 178.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 46.5 t -94.82 109.96 23.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 179.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 73.5 m -108.17 125.16 51.3 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-O 121.093 0.473 . . . . 0.0 110.496 -177.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 63.5 mtm180 -119.17 136.24 54.28 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.738 -178.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 68.2 m -120.6 139.4 53.03 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-O 121.041 0.448 . . . . 0.0 110.435 178.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.2 t -116.43 116.5 52.46 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.127 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 174.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 85.0 m -108.83 133.68 52.55 Favored 'General case' 0 C--N 1.293 -1.849 0 CA-C-O 120.958 0.408 . . . . 0.0 111.299 -179.021 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 50.4 ttp180 -149.18 112.88 5.07 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.551 176.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 55.0 ttp180 . . . . . 0 C--O 1.251 1.141 0 C-N-CA 125.479 1.512 . . . . 0.0 111.566 175.052 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.523 0 CA-C-O 120.885 0.159 . . . . 0.0 112.757 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 38.9 t -99.58 130.47 48.56 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.136 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -178.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 57.3 m -98.23 120.87 39.4 Favored 'General case' 0 C--N 1.286 -2.19 0 C-N-CA 118.778 -1.169 . . . . 0.0 108.732 175.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.4 ' HA ' ' NE ' ' A' ' 4' ' ' ARG . 1.0 OUTLIER -121.93 139.8 53.21 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 106.435 -1.691 . . . . 0.0 106.435 -174.289 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 8.4 m -108.66 135.95 49.05 Favored 'General case' 0 C--N 1.288 -2.071 0 C-N-CA 119.298 -0.961 . . . . 0.0 111.908 -173.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.7 m -105.55 140.44 23.61 Favored 'Isoleucine or valine' 0 N--CA 1.405 -2.717 0 CA-C-N 114.987 -1.006 . . . . 0.0 108.349 178.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 59.3 m -109.9 126.38 53.8 Favored 'General case' 0 C--N 1.288 -2.099 0 C-N-CA 119.952 -0.699 . . . . 0.0 110.612 -178.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.6 tpt180 -126.44 112.2 15.33 Favored 'General case' 0 C--N 1.286 -2.179 0 CA-C-N 114.827 -1.079 . . . . 0.0 108.309 -176.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 59.22 41.65 19.82 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-O 122.563 1.173 . . . . 0.0 110.688 177.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.97 -7.01 64.34 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 114.997 -1.001 . . . . 0.0 113.855 178.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 49.1 t -103.71 125.29 58.34 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 65.0 m -102.48 122.93 45.31 Favored 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 120.622 -0.431 . . . . 0.0 111.347 -177.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -119.51 139.61 51.82 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.329 -0.851 . . . . 0.0 109.135 -178.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 59.4 m -102.08 139.18 38.05 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 113.569 0.952 . . . . 0.0 113.569 -173.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.6 t -126.55 140.4 48.98 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.042 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 -179.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 61.2 m -103.46 127.2 50.89 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-O 121.596 0.712 . . . . 0.0 111.076 -179.66 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.435 ' HE ' ' HA ' ' A' ' 17' ' ' ARG . 1.3 tpm_? -142.2 118.68 10.93 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-N 114.679 -1.146 . . . . 0.0 109.291 -172.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.417 ' HG2' ' O ' ' A' ' 18' ' ' ARG . 41.2 ttm180 . . . . . 0 CA--C 1.548 0.877 0 CA-C-O 122.625 1.203 . . . . 0.0 110.023 177.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.799 0 N-CA-C 112.957 -0.057 . . . . 0.0 112.957 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 43.9 t -93.75 109.92 22.65 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.143 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 -178.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 89.5 m -103.47 121.59 43.14 Favored 'General case' 0 C--N 1.289 -2.046 0 CA-C-O 121.268 0.556 . . . . 0.0 110.537 -179.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 20.9 tpp180 -102.97 112.43 25.25 Favored 'General case' 0 C--N 1.293 -1.891 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 70.6 m -107.61 132.4 53.34 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-O 121.271 0.558 . . . . 0.0 109.956 178.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.6 t -124.57 132.25 71.59 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.22 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 -179.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 79.7 m -110.14 133.45 53.2 Favored 'General case' 0 C--N 1.297 -1.699 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.229 179.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -143.44 120.63 11.5 Favored 'General case' 0 C--N 1.294 -1.822 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.455 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 66.3 ttt180 63.23 29.98 15.88 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-O 122.146 0.974 . . . . 0.0 110.193 174.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.63 -3.22 87.21 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.431 -0.804 . . . . 0.0 112.189 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 81.8 t -101.22 115.01 42.13 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.117 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 73.9 m -101.91 125.56 48.61 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 121.167 0.508 . . . . 0.0 110.971 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -120.56 139.08 53.45 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 -178.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 64.1 m -123.85 140.9 52.53 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-O 121.126 0.488 . . . . 0.0 111.177 -178.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.8 p -125.47 124.85 67.8 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.767 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 175.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.1 m -108.26 133.84 51.92 Favored 'General case' 0 C--N 1.298 -1.669 0 C-N-CA 120.239 -0.584 . . . . 0.0 112.382 -176.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 25.8 tpt180 -132.28 104.18 6.61 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-N 115.041 -0.982 . . . . 0.0 110.437 176.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 . . . . . 0 C--O 1.244 0.773 0 C-N-CA 125.206 1.403 . . . . 0.0 112.212 175.64 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.911 0 CA-C-O 120.16 -0.244 . . . . 0.0 113.203 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 49.0 t -87.85 108.4 18.42 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.5 m -107.03 132.98 52.35 Favored 'General case' 0 C--N 1.289 -2.064 0 C-N-CA 120.396 -0.522 . . . . 0.0 111.309 -177.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -137.68 132.7 33.29 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.522 176.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 51.4 m -89.99 142.17 27.96 Favored 'General case' 0 CA--C 1.486 -1.513 0 CA-C-O 121.774 0.797 . . . . 0.0 112.273 177.364 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.2 p -132.02 141.05 46.47 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.356 0 N-CA-C 105.904 -1.887 . . . . 0.0 105.904 176.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 57.7 m -102.51 131.64 49.09 Favored 'General case' 0 C--N 1.291 -1.952 0 C-N-CA 119.784 -0.767 . . . . 0.0 111.527 -177.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -126.88 107.07 9.77 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-N 114.498 -1.228 . . . . 0.0 107.904 179.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.5 tpt180 51.06 52.85 14.12 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.051 0.94 . . . . 0.0 111.199 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.24 -14.52 33.43 Favored Glycine 0 C--N 1.314 -0.673 0 CA-C-N 115.31 -0.859 . . . . 0.0 113.491 176.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.1 t -96.45 109.93 23.78 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.064 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 56.6 m -95.88 121.45 37.62 Favored 'General case' 0 C--N 1.285 -2.235 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 179.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -125.34 137.72 54.05 Favored 'General case' 0 C--N 1.296 -1.741 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.207 -177.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 27.5 m -90.56 130.45 36.59 Favored 'General case' 0 CA--C 1.479 -1.756 0 CA-C-O 122.568 1.175 . . . . 0.0 111.688 174.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 62.1 t -101.07 126.1 54.89 Favored 'Isoleucine or valine' 0 C--N 1.262 -3.239 0 N-CA-C 104.872 -2.27 . . . . 0.0 104.872 176.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 81.6 m -112.61 130.11 56.14 Favored 'General case' 0 C--N 1.283 -2.292 0 C-N-CA 119.933 -0.707 . . . . 0.0 111.248 -177.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -121.35 98.33 5.93 Favored 'General case' 0 C--N 1.283 -2.296 0 CA-C-N 114.594 -1.184 . . . . 0.0 109.992 178.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.8 ttt180 . . . . . 0 CA--C 1.545 0.775 0 C-N-CA 124.597 1.159 . . . . 0.0 111.502 178.568 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.425 0 N-CA-C 112.27 -0.332 . . . . 0.0 112.27 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 41.0 t -106.0 135.79 42.88 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.232 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 -178.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 94.5 m -118.15 135.98 53.89 Favored 'General case' 0 C--N 1.284 -2.241 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.0 178.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -129.39 138.66 51.63 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.007 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 57.4 m -116.41 126.66 53.76 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-O 121.724 0.774 . . . . 0.0 109.89 178.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.0 t -117.91 116.75 52.62 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.116 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.978 -176.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 12.3 m -79.89 129.09 34.21 Favored 'General case' 0 CA--C 1.492 -1.279 0 CA-C-O 122.23 1.014 . . . . 0.0 113.044 176.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -130.81 111.81 12.46 Favored 'General case' 0 C--N 1.284 -2.277 0 CA-C-N 113.322 -1.763 . . . . 0.0 106.901 174.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.9 tpt180 60.85 37.29 18.65 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-O 122.752 1.263 . . . . 0.0 109.276 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.89 -11.12 60.69 Favored Glycine 0 N--CA 1.444 -0.792 0 CA-C-N 114.173 -1.376 . . . . 0.0 113.313 179.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 60.2 t -97.32 109.89 24.15 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.332 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -178.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 5.6 m -80.12 121.98 26.24 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-O 121.888 0.851 . . . . 0.0 111.017 175.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 82.3 mtt180 -102.84 118.35 36.64 Favored 'General case' 0 C--N 1.282 -2.363 0 N-CA-C 106.852 -1.536 . . . . 0.0 106.852 177.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 57.9 m -96.7 129.85 44.03 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-O 122.0 0.905 . . . . 0.0 110.896 -178.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.5 t -118.62 128.14 75.55 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.29 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 95.0 m -115.22 134.64 54.96 Favored 'General case' 0 C--N 1.289 -2.053 0 C-N-CA 120.524 -0.47 . . . . 0.0 110.777 178.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -160.9 141.31 11.27 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.413 178.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 . . . . . 0 CA--C 1.545 0.757 0 CA-C-O 122.193 0.997 . . . . 0.0 110.564 176.771 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 61.8 t . . . . . 0 N--CA 1.443 -0.813 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 77.1 m -107.63 122.44 46.7 Favored 'General case' 0 C--N 1.291 -1.969 0 C-N-CA 120.199 -0.601 . . . . 0.0 110.204 179.071 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -106.97 138.89 42.27 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 177.33 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 72.9 m -120.38 126.3 50.14 Favored 'General case' 0 C--N 1.292 -1.912 0 CA-C-O 121.75 0.786 . . . . 0.0 110.969 177.538 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.5 t -103.4 116.22 46.77 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.54 0 N-CA-C 107.111 -1.44 . . . . 0.0 107.111 178.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 75.5 m -104.3 128.27 52.07 Favored 'General case' 0 C--N 1.288 -2.084 0 C-N-CA 119.996 -0.682 . . . . 0.0 111.08 -178.185 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -144.98 125.83 14.37 Favored 'General case' 0 C--N 1.289 -2.039 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.108 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 63.02 28.62 16.28 Favored 'General case' 0 CA--C 1.558 1.263 0 CA-C-O 122.286 1.041 . . . . 0.0 110.443 175.187 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.02 -7.41 71.0 Favored Glycine 0 CA--C 1.525 0.701 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.871 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 60.7 t -98.08 124.76 51.31 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.058 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.8 m -107.6 120.33 41.92 Favored 'General case' 0 C--N 1.296 -1.744 0 CA-C-O 121.864 0.84 . . . . 0.0 111.18 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -99.35 110.66 23.14 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 63.2 m -100.66 133.58 44.91 Favored 'General case' 0 C--N 1.285 -2.199 0 CA-C-O 121.839 0.828 . . . . 0.0 110.844 -178.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 58.0 t -121.86 117.46 52.51 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.331 0 CA-C-N 114.38 -1.282 . . . . 0.0 107.69 -178.334 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 70.7 m -97.94 133.21 42.74 Favored 'General case' 0 C--N 1.292 -1.912 0 CA-C-O 121.422 0.63 . . . . 0.0 110.567 178.013 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.7 tpt180 . . . . . 0 C--N 1.294 -1.829 0 CA-C-N 114.888 -1.051 . . . . 0.0 109.518 -178.283 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 43.6 t . . . . . 0 C--O 1.249 1.044 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.0 m -102.63 140.51 36.82 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-O 121.397 0.618 . . . . 0.0 112.185 -177.065 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.2 ptt180 -131.33 127.03 36.81 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.37 175.397 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 79.8 m -101.3 144.09 30.56 Favored 'General case' 0 C--N 1.288 -2.068 0 CA-C-O 120.954 0.407 . . . . 0.0 111.008 178.813 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.6 t -131.51 124.96 55.53 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.317 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 177.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 77.1 m -106.97 136.6 46.55 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-O 121.076 0.465 . . . . 0.0 111.573 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 51.5 ttp180 -139.63 109.17 6.21 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.047 177.112 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 45.5 ttt180 47.62 53.54 11.03 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.626 1.57 . . . . 0.0 112.518 176.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.2 -19.8 47.41 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.442 -0.799 . . . . 0.0 113.707 176.316 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 46.1 t -100.9 114.47 40.05 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 -178.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 83.0 m -106.78 121.82 45.15 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-O 121.385 0.612 . . . . 0.0 110.769 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.425 ' HA ' ' HE ' ' A' ' 13' ' ' ARG . 1.9 tpm_? -110.35 121.28 44.91 Favored 'General case' 0 C--N 1.294 -1.845 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 -179.46 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 59.8 m -102.75 125.88 49.65 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-O 121.719 0.771 . . . . 0.0 110.573 177.502 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.9 t -103.66 116.75 47.99 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.359 0 CA-C-N 114.071 -1.422 . . . . 0.0 107.479 -178.363 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 75.2 m -109.07 134.98 50.97 Favored 'General case' 0 C--N 1.284 -2.269 0 CA-C-O 121.179 0.514 . . . . 0.0 110.91 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 . . . . . 0 C--N 1.3 -1.576 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.734 177.175 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 58.0 t . . . . . 0 N--CA 1.444 -0.73 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.501 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 72.8 m -93.66 121.38 35.03 Favored 'General case' 0 C--N 1.294 -1.809 0 C-N-CA 119.571 -0.851 . . . . 0.0 109.295 178.013 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -118.79 125.67 50.13 Favored 'General case' 0 N--CA 1.427 -1.591 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.054 -173.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.47 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 52.6 m -101.09 137.63 39.2 Favored 'General case' 0 C--N 1.291 -1.949 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.513 177.568 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.2 p -128.44 134.33 64.95 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.358 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.058 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 86.2 m -104.35 128.14 52.13 Favored 'General case' 0 N--CA 1.411 -2.4 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 177.613 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -134.62 122.02 21.71 Favored 'General case' 0 C--N 1.282 -2.338 0 CA-C-N 115.294 -0.866 . . . . 0.0 108.674 -177.608 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.8 tpm_? 60.02 29.91 19.44 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-O 122.233 1.016 . . . . 0.0 110.604 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.85 -18.87 51.81 Favored Glycine 0 N--CA 1.44 -1.1 0 CA-C-N 115.367 -0.833 . . . . 0.0 113.2 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 57.7 t -92.3 135.81 26.39 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 -178.418 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 61.8 m -113.1 129.64 56.44 Favored 'General case' 0 C--N 1.303 -1.444 0 C-N-CA 120.057 -0.657 . . . . 0.0 111.007 -177.268 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 71.3 mtt180 -129.02 139.08 52.21 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.979 -177.292 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.47 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 38.1 m -111.8 130.59 55.76 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.74 0.781 . . . . 0.0 111.224 -179.57 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 98.7 t -123.43 128.52 74.74 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.889 0 CA-C-N 114.288 -1.324 . . . . 0.0 107.66 -178.658 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.501 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 64.2 m -92.58 126.92 37.88 Favored 'General case' 0 C--N 1.302 -1.487 0 C-N-CA 120.219 -0.593 . . . . 0.0 110.513 177.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.4 tpm_? . . . . . 0 N--CA 1.424 -1.765 0 CA-C-N 114.845 -1.071 . . . . 0.0 109.188 -173.817 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 99.4 t . . . . . 0 N--CA 1.45 -0.464 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 89.6 m -109.12 128.57 55.12 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-O 120.949 0.404 . . . . 0.0 110.285 178.165 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -129.76 138.36 51.04 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 38.0 m -111.13 139.17 46.73 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-O 121.395 0.617 . . . . 0.0 111.877 -175.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 39.5 t -115.92 127.15 73.6 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.295 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 77.8 m -99.13 127.66 45.13 Favored 'General case' 0 C--N 1.297 -1.717 0 C-N-CA 119.775 -0.77 . . . . 0.0 110.303 176.796 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -133.2 107.62 8.28 Favored 'General case' 0 N--CA 1.416 -2.174 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.195 -175.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 57.95 42.14 23.33 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.091 174.259 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.46 -16.42 60.01 Favored Glycine 0 N--CA 1.446 -0.635 0 CA-C-N 115.433 -0.803 . . . . 0.0 113.583 178.365 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.7 t -103.66 121.37 55.02 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.058 0 CA-C-N 117.691 0.746 . . . . 0.0 109.378 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 78.6 m -98.1 121.94 40.63 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 121.257 0.551 . . . . 0.0 110.434 179.075 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.4 tpp180 -113.39 137.07 52.05 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 -178.024 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.8 m -108.78 134.47 51.43 Favored 'General case' 0 C--N 1.302 -1.5 0 C-N-CA 119.876 -0.73 . . . . 0.0 111.926 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 74.5 t -120.28 130.89 73.85 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 CA-C-N 114.655 -1.157 . . . . 0.0 108.259 -178.278 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 63.1 m -115.5 135.98 53.55 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 120.769 -0.373 . . . . 0.0 111.046 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 . . . . . 0 C--N 1.308 -1.229 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.007 177.013 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 49.1 t . . . . . 0 N--CA 1.446 -0.656 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 77.0 m -106.61 124.17 49.2 Favored 'General case' 0 C--N 1.292 -1.925 0 C-N-CA 120.252 -0.579 . . . . 0.0 109.798 176.042 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 20.7 tpp180 -122.21 124.22 43.31 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.447 -178.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 84.6 m -104.43 134.06 48.27 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 172.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.3 t -117.95 119.87 62.83 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.562 0 N-CA-C 106.638 -1.616 . . . . 0.0 106.638 176.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 68.9 m -104.21 130.29 51.98 Favored 'General case' 0 C--N 1.29 -2.002 0 C-N-CA 120.109 -0.636 . . . . 0.0 112.062 -177.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -136.63 111.29 8.68 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-N 114.931 -1.031 . . . . 0.0 109.652 177.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.0 tpm_? 59.93 39.96 19.61 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-O 122.67 1.224 . . . . 0.0 110.695 176.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.98 -7.68 73.72 Favored Glycine 0 N--CA 1.439 -1.114 0 CA-C-N 114.832 -1.077 . . . . 0.0 112.554 177.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 46.8 t -97.19 113.23 31.03 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.139 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 178.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 80.3 m -102.95 121.9 43.49 Favored 'General case' 0 C--N 1.287 -2.131 0 CA-C-O 121.463 0.649 . . . . 0.0 111.129 -178.413 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.44 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 38.0 mmt180 -97.91 118.63 34.93 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 177.356 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 61.0 m -115.3 126.63 54.71 Favored 'General case' 0 C--N 1.299 -1.587 0 CA-C-O 121.263 0.554 . . . . 0.0 110.524 -179.136 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 72.7 t -127.13 122.89 61.06 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.327 0 CA-C-N 114.889 -1.051 . . . . 0.0 109.302 -177.331 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 86.3 m -98.09 129.42 44.92 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 174.141 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 . . . . . 0 C--N 1.292 -1.928 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.282 -179.441 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 41.3 t . . . . . 0 C--O 1.217 -0.629 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 96.2 m -106.42 123.01 47.43 Favored 'General case' 0 C--N 1.302 -1.457 0 C-N-CA 120.25 -0.58 . . . . 0.0 110.548 176.07 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -112.02 120.79 43.06 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 177.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 59.5 m -107.23 141.81 37.96 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-O 121.42 0.629 . . . . 0.0 111.765 -176.559 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.3 p -134.06 136.92 52.96 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.399 0 CA-C-N 115.027 -0.988 . . . . 0.0 108.948 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 64.6 m -112.91 133.86 54.69 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-O 121.049 0.452 . . . . 0.0 110.698 -179.076 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 51.1 ttp180 -140.11 123.55 17.06 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.195 177.561 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 62.08 28.04 16.93 Favored 'General case' 0 CA--C 1.556 1.179 0 CA-C-O 122.213 1.006 . . . . 0.0 110.485 176.481 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.77 -7.55 80.75 Favored Glycine 0 C--N 1.316 -0.528 0 CA-C-N 115.76 -0.654 . . . . 0.0 112.394 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 44.7 t -96.59 122.87 48.53 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.06 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 77.0 m -109.23 121.76 45.85 Favored 'General case' 0 C--N 1.291 -1.973 0 C-N-CA 120.149 -0.62 . . . . 0.0 110.261 -178.518 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.1 ttp85 -113.7 137.7 51.25 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 178.257 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 67.5 m -109.13 134.71 51.36 Favored 'General case' 0 C--N 1.29 -2.007 0 CA-C-O 121.608 0.718 . . . . 0.0 110.611 177.695 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.8 t -102.23 116.19 45.45 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.534 0 N-CA-C 105.825 -1.917 . . . . 0.0 105.825 177.446 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 95.4 m -111.18 127.17 55.5 Favored 'General case' 0 C--N 1.28 -2.453 0 C-N-CA 120.088 -0.645 . . . . 0.0 110.706 -178.206 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 . . . . . 0 C--N 1.287 -2.139 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.289 -177.827 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 99.0 t . . . . . 0 N--CA 1.435 -1.193 0 CA-C-O 120.834 0.35 . . . . 0.0 110.438 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 98.9 m -101.63 121.03 41.26 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-O 121.347 0.594 . . . . 0.0 109.491 174.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -106.31 115.21 29.82 Favored 'General case' 0 C--N 1.29 -1.993 0 CA-C-N 114.984 -1.007 . . . . 0.0 108.661 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 63.4 m -111.53 129.52 56.03 Favored 'General case' 0 C--N 1.285 -2.202 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 176.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.1 p -135.49 139.83 45.83 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.656 0 CA-C-N 115.207 -0.906 . . . . 0.0 108.64 -177.243 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.478 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 61.0 m -107.53 136.46 47.26 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-O 121.069 0.461 . . . . 0.0 110.874 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -141.16 116.31 9.94 Favored 'General case' 0 N--CA 1.425 -1.695 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.415 178.334 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 32.9 ttm180 59.33 39.01 22.83 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.924 -1.034 . . . . 0.0 110.46 176.101 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.84 -17.53 52.43 Favored Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 115.18 -0.918 . . . . 0.0 112.786 178.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 45.0 t -94.72 112.2 26.86 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 -177.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.478 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 68.6 m -93.95 134.39 36.39 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 176.401 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 -133.13 137.96 46.48 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.548 -177.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 79.0 m -114.03 136.58 52.76 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-O 121.594 0.711 . . . . 0.0 110.755 178.499 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.5 t -118.82 116.41 51.06 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.204 0 N-CA-C 106.509 -1.663 . . . . 0.0 106.509 176.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 92.4 m -102.29 127.28 49.34 Favored 'General case' 0 C--N 1.288 -2.074 0 CA-C-O 121.455 0.645 . . . . 0.0 110.538 178.133 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 26.4 tpt180 . . . . . 0 N--CA 1.417 -2.1 0 CA-C-N 115.03 -0.986 . . . . 0.0 109.292 -176.535 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 48.2 t . . . . . 0 N--CA 1.439 -0.976 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 96.1 m -99.36 122.18 42.14 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 176.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -133.46 137.88 45.92 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 -178.673 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.493 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 34.4 m -98.89 135.99 39.53 Favored 'General case' 0 C--N 1.305 -1.348 0 CA-C-O 121.38 0.609 . . . . 0.0 110.955 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.3 t -126.09 138.72 53.69 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.377 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 -177.667 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 69.3 m -109.76 124.0 50.51 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-O 121.336 0.589 . . . . 0.0 110.874 178.624 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -131.31 113.51 13.88 Favored 'General case' 0 C--N 1.293 -1.862 0 CA-C-N 114.861 -1.063 . . . . 0.0 108.993 -177.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 55.77 43.94 26.98 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-O 122.458 1.123 . . . . 0.0 111.039 177.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.29 -9.41 61.25 Favored Glycine 0 N--CA 1.441 -1.026 0 CA-C-N 115.039 -0.982 . . . . 0.0 113.371 177.185 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 70.5 t -99.08 113.0 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.361 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 179.102 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 71.6 m -96.47 121.3 38.13 Favored 'General case' 0 C--N 1.284 -2.277 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 177.148 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -124.06 139.23 54.15 Favored 'General case' 0 C--N 1.292 -1.933 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.089 -176.621 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.493 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 52.6 m -101.61 125.49 48.28 Favored 'General case' 0 N--CA 1.423 -1.796 0 CA-C-O 122.212 1.006 . . . . 0.0 110.598 179.449 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 39.8 t -110.22 122.09 64.18 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.547 0 CA-C-N 114.148 -1.387 . . . . 0.0 108.728 -174.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 72.1 m -105.73 127.52 53.13 Favored 'General case' 0 C--N 1.291 -1.941 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.048 177.597 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.6 ttp180 . . . . . 0 C--N 1.288 -2.097 0 CA-C-N 115.355 -0.838 . . . . 0.0 110.263 -178.865 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 56.9 t . . . . . 0 N--CA 1.449 -0.483 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 83.6 m -92.99 127.03 38.36 Favored 'General case' 0 C--N 1.297 -1.683 0 CA-C-O 121.377 0.608 . . . . 0.0 112.022 -176.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -128.29 135.39 49.57 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 59.3 m -98.2 146.23 25.82 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 -173.62 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.4 p -142.1 140.81 29.42 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 178.369 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.453 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 58.2 m -108.56 129.8 55.3 Favored 'General case' 0 C--N 1.298 -1.67 0 C-N-CA 120.246 -0.582 . . . . 0.0 110.423 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -133.8 116.93 16.29 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-N 114.89 -1.05 . . . . 0.0 109.802 -176.117 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 61.18 34.11 19.01 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.614 1.166 . . . . 0.0 110.633 175.38 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.15 -1.08 87.66 Favored Glycine 0 N--CA 1.45 -0.415 0 CA-C-N 115.182 -0.917 . . . . 0.0 112.885 178.422 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.6 t -111.55 120.74 62.73 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.972 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 179.162 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.453 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 84.3 m -92.93 124.07 36.64 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-O 121.08 0.466 . . . . 0.0 110.52 -179.681 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 -124.19 139.09 54.26 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 115.371 -0.831 . . . . 0.0 108.869 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 30.6 m -106.58 125.25 50.77 Favored 'General case' 0 C--N 1.287 -2.132 0 C-N-CA 119.028 -1.069 . . . . 0.0 110.209 177.151 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.4 t -101.43 132.9 46.35 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.315 0 CA-C-N 114.129 -1.396 . . . . 0.0 107.322 -176.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.6 m -106.49 128.41 54.06 Favored 'General case' 0 N--CA 1.414 -2.256 0 CA-C-O 122.11 0.957 . . . . 0.0 111.24 -177.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 . . . . . 0 C--N 1.289 -2.033 0 CA-C-N 113.729 -1.578 . . . . 0.0 108.938 -174.223 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 62.0 t . . . . . 0 N--CA 1.448 -0.549 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.3 m -110.36 133.47 53.23 Favored 'General case' 0 C--N 1.296 -1.751 0 C-N-CA 120.469 -0.493 . . . . 0.0 111.904 -176.594 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -118.69 125.45 49.71 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 176.266 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 55.7 m -110.8 136.69 49.48 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 120.887 0.375 . . . . 0.0 110.922 -176.486 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.2 t -136.12 139.25 46.06 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 177.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 62.9 m -104.14 135.92 44.73 Favored 'General case' 0 C--N 1.302 -1.467 0 CA-C-O 121.033 0.444 . . . . 0.0 110.483 -179.708 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 23.5 tpt180 -134.52 112.79 11.17 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.038 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.441 ' HE ' ' HA ' ' A' ' 9' ' ' ARG . 2.1 tpm_? 59.24 37.18 23.83 Favored 'General case' 0 CA--C 1.557 1.249 0 CA-C-O 121.915 0.864 . . . . 0.0 111.212 174.794 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.95 -14.32 64.63 Favored Glycine 0 C--N 1.318 -0.464 0 CA-C-N 115.897 -0.592 . . . . 0.0 113.056 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.9 t -95.77 115.54 35.17 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.913 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 73.9 m -95.7 125.71 40.47 Favored 'General case' 0 C--N 1.294 -1.843 0 C-N-CA 119.784 -0.766 . . . . 0.0 109.363 176.569 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 59.5 ttp85 -128.4 136.95 51.59 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.685 -176.07 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 38.9 m -113.24 131.97 55.7 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 121.412 0.625 . . . . 0.0 111.165 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.2 t -99.23 116.99 43.69 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.123 0 N-CA-C 106.262 -1.755 . . . . 0.0 106.262 177.294 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.6 m -107.22 134.98 49.51 Favored 'General case' 0 C--N 1.294 -1.827 0 C-N-CA 120.073 -0.651 . . . . 0.0 111.142 -178.297 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 . . . . . 0 C--N 1.295 -1.763 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.464 178.819 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 43.0 t . . . . . 0 N--CA 1.433 -1.28 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 73.6 m -103.47 121.48 42.92 Favored 'General case' 0 C--N 1.282 -2.351 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.671 178.702 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -113.66 134.14 54.91 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 177.597 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.46 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 36.1 m -102.51 121.83 43.14 Favored 'General case' 0 N--CA 1.417 -2.119 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 174.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.8 t -98.91 123.95 51.84 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.606 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 -177.018 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 60.3 m -102.04 137.1 40.77 Favored 'General case' 0 C--N 1.287 -2.128 0 C-N-CA 119.862 -0.735 . . . . 0.0 111.673 -176.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.7 ttm-85 -134.73 113.1 11.31 Favored 'General case' 0 C--N 1.292 -1.904 0 CA-C-N 114.217 -1.356 . . . . 0.0 108.681 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 54.85 36.75 27.28 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.581 1.152 . . . . 0.0 111.474 178.155 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.88 -1.47 85.18 Favored Glycine 0 CA--C 1.522 0.505 0 C-N-CA 120.851 -0.69 . . . . 0.0 113.72 177.679 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.1 t -108.48 129.48 62.82 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 177.643 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 54.3 m -113.24 129.11 56.61 Favored 'General case' 0 C--N 1.3 -1.553 0 C-N-CA 119.421 -0.912 . . . . 0.0 112.631 -175.451 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -105.19 127.93 53.16 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 177.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.46 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 50.7 m -101.44 126.19 48.19 Favored 'General case' 0 C--N 1.307 -1.258 0 C-N-CA 119.361 -0.936 . . . . 0.0 111.487 -179.583 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.6 t -119.14 135.58 59.07 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.994 0 CA-C-N 114.341 -1.3 . . . . 0.0 107.771 -177.74 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 85.3 m -113.59 132.57 55.68 Favored 'General case' 0 C--N 1.302 -1.492 0 C-N-CA 120.212 -0.595 . . . . 0.0 111.725 -178.756 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 . . . . . 0 C--N 1.296 -1.742 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.788 179.323 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 39.0 t . . . . . 0 N--CA 1.445 -0.683 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 75.6 m -107.64 139.2 42.55 Favored 'General case' 0 C--N 1.294 -1.829 0 C-N-CA 120.962 -0.295 . . . . 0.0 110.277 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 58.5 mtm180 -131.66 138.84 48.91 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 177.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 70.0 m -103.93 133.83 48.24 Favored 'General case' 0 C--N 1.3 -1.545 0 CA-C-O 121.863 0.84 . . . . 0.0 112.194 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.8 t -107.47 116.44 51.02 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.208 0 N-CA-C 106.434 -1.691 . . . . 0.0 106.434 178.024 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 71.7 m -103.93 131.57 51.04 Favored 'General case' 0 C--N 1.291 -1.948 0 CA-C-O 121.402 0.62 . . . . 0.0 110.942 -179.384 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -136.04 102.61 5.08 Favored 'General case' 0 C--N 1.287 -2.109 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.376 -178.215 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 54.58 46.42 24.86 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.202 1.001 . . . . 0.0 111.186 176.129 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.96 -19.8 46.66 Favored Glycine 0 C--N 1.312 -0.795 0 CA-C-N 115.407 -0.815 . . . . 0.0 113.477 178.032 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 55.6 t -92.34 112.46 25.91 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.191 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.3 m -103.71 121.42 42.95 Favored 'General case' 0 C--N 1.292 -1.931 0 CA-C-O 121.876 0.846 . . . . 0.0 110.267 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -115.76 124.59 51.16 Favored 'General case' 0 C--N 1.292 -1.93 0 N-CA-C 107.837 -1.171 . . . . 0.0 107.837 -179.279 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 22.5 m -109.01 134.77 51.21 Favored 'General case' 0 C--N 1.291 -1.946 0 CA-C-O 121.328 0.585 . . . . 0.0 110.912 -174.502 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 47.5 t -117.41 137.76 50.29 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 -179.436 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 76.3 m -115.05 146.08 41.64 Favored 'General case' 0 C--N 1.294 -1.833 0 C-N-CA 120.427 -0.509 . . . . 0.0 111.417 -178.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.8 ttp180 . . . . . 0 N--CA 1.429 -1.491 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.707 172.815 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 42.1 t . . . . . 0 N--CA 1.447 -0.602 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 81.4 m -102.82 133.58 47.66 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-O 121.051 0.453 . . . . 0.0 110.676 179.526 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 29.1 ttm180 -127.34 138.23 52.98 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 60.8 m -108.93 129.59 55.43 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-O 121.827 0.823 . . . . 0.0 110.67 177.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.2 t -105.75 117.1 50.87 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.256 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 75.0 m -109.54 131.01 55.46 Favored 'General case' 0 C--N 1.293 -1.89 0 CA-C-O 121.381 0.61 . . . . 0.0 111.594 -177.329 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.7 tpt180 -140.86 115.63 9.64 Favored 'General case' 0 C--N 1.297 -1.715 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.926 179.244 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 56.0 ttp180 58.71 34.48 23.81 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.553 1.141 . . . . 0.0 110.338 177.247 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.68 -19.21 49.51 Favored Glycine 0 N--CA 1.443 -0.89 0 CA-C-N 115.244 -0.889 . . . . 0.0 112.9 179.29 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 68.0 t -84.04 111.52 20.08 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 179.415 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 86.7 m -102.49 129.35 48.99 Favored 'General case' 0 C--N 1.287 -2.124 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.471 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 -118.87 116.56 26.75 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 107.81 -1.182 . . . . 0.0 107.81 178.47 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 58.9 m -95.78 133.17 40.21 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-O 121.662 0.744 . . . . 0.0 111.095 179.271 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.1 t -124.62 137.08 58.58 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.92 0 CA-C-N 114.447 -1.252 . . . . 0.0 107.726 -176.053 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 75.4 m -118.38 128.99 55.17 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 120.344 -0.542 . . . . 0.0 110.658 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.6 ptt180 . . . . . 0 C--N 1.299 -1.626 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.704 -179.982 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 50.8 t . . . . . 0 C--O 1.223 -0.313 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 77.2 m -108.48 121.74 45.59 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-O 120.997 0.427 . . . . 0.0 110.996 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -115.38 138.97 50.43 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 177.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 38.7 m -114.06 122.04 45.66 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-O 121.812 0.815 . . . . 0.0 110.257 179.405 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 43.5 t -104.69 128.51 58.27 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.665 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 -176.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 56.9 m -107.47 135.08 49.55 Favored 'General case' 0 C--N 1.289 -2.036 0 CA-C-O 121.402 0.62 . . . . 0.0 111.346 -176.145 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 36.9 ttt180 -126.71 107.39 10.13 Favored 'General case' 0 C--N 1.291 -1.941 0 CA-C-N 114.65 -1.159 . . . . 0.0 108.425 179.309 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 57.41 40.19 27.6 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-O 122.296 1.046 . . . . 0.0 110.13 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.83 -14.94 55.2 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 114.95 -1.023 . . . . 0.0 113.479 178.525 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 44.6 t -88.53 115.48 28.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 64.1 m -103.15 127.91 50.28 Favored 'General case' 0 C--N 1.285 -2.218 0 C-N-CA 120.198 -0.601 . . . . 0.0 112.124 -175.496 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.2 ptp180 -114.65 138.67 50.4 Favored 'General case' 0 C--N 1.311 -1.082 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 173.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 59.6 m -106.59 137.82 43.91 Favored 'General case' 0 C--N 1.294 -1.812 0 CA-C-O 121.474 0.654 . . . . 0.0 111.107 -178.158 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 58.2 t -120.13 116.87 51.66 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.849 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 73.4 m -99.34 127.28 45.34 Favored 'General case' 0 C--N 1.29 -1.999 0 CA-C-O 121.418 0.628 . . . . 0.0 110.161 177.69 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.3 tpt180 . . . . . 0 C--N 1.293 -1.862 0 CA-C-N 114.789 -1.096 . . . . 0.0 110.428 -178.412 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 59.7 t . . . . . 0 N--CA 1.441 -0.892 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 84.6 m -110.6 125.1 53.04 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-O 121.399 0.618 . . . . 0.0 110.316 179.713 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -113.74 113.21 24.66 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 57.2 m -104.57 138.92 40.2 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 177.693 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.2 p -134.64 140.67 45.2 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.403 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 -179.55 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 71.8 m -101.71 127.79 48.32 Favored 'General case' 0 N--CA 1.432 -1.338 0 CA-C-O 122.242 1.02 . . . . 0.0 112.467 -179.27 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.0 tpt180 -121.6 92.54 3.77 Favored 'General case' 0 C--N 1.292 -1.933 0 CA-C-N 113.903 -1.499 . . . . 0.0 108.918 -178.408 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 54.15 52.66 12.29 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 123.937 0.895 . . . . 0.0 111.397 174.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.61 -19.71 46.19 Favored Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 115.435 -0.802 . . . . 0.0 113.142 178.365 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 51.7 t -97.69 109.46 23.54 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.068 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 60.1 m -98.24 121.6 40.37 Favored 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.147 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.4 ptt180 -114.47 137.25 52.08 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.985 -176.736 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 85.0 m -111.57 133.35 53.9 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 121.803 0.811 . . . . 0.0 111.237 -179.596 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 84.9 t -118.45 127.82 75.47 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.368 0 N-CA-C 107.019 -1.475 . . . . 0.0 107.019 178.008 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.5 m -119.79 135.06 55.01 Favored 'General case' 0 C--N 1.295 -1.782 0 C-N-CA 120.247 -0.581 . . . . 0.0 111.287 -177.465 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 . . . . . 0 C--N 1.304 -1.37 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.152 177.333 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.1 t . . . . . 0 N--CA 1.432 -1.336 0 CA-C-O 121.215 0.531 . . . . 0.0 110.072 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 96.3 m -103.98 124.71 49.51 Favored 'General case' 0 N--CA 1.423 -1.823 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.339 177.238 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 63.0 mtm180 -112.01 118.67 36.08 Favored 'General case' 0 C--N 1.292 -1.894 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 174.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 69.2 m -108.88 141.35 41.06 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.565 -179.411 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.1 p -135.75 138.65 47.54 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.025 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 178.701 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 80.8 m -113.91 142.7 45.8 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-O 121.082 0.467 . . . . 0.0 111.332 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 52.7 ttp180 -142.99 105.13 4.41 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.923 174.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.5 ttt180 59.16 42.85 18.06 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-O 122.328 1.061 . . . . 0.0 111.133 173.012 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.69 -14.05 65.09 Favored Glycine 0 N--CA 1.444 -0.772 0 CA-C-N 115.042 -0.981 . . . . 0.0 113.014 178.1 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 46.5 t -94.82 109.96 23.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 179.08 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 73.5 m -108.17 125.16 51.3 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-O 121.093 0.473 . . . . 0.0 110.496 -177.579 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 63.5 mtm180 -119.17 136.24 54.28 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.738 -178.292 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 68.2 m -120.6 139.4 53.03 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-O 121.041 0.448 . . . . 0.0 110.435 178.482 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.2 t -116.43 116.5 52.46 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.127 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 174.638 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 85.0 m -108.83 133.68 52.55 Favored 'General case' 0 C--N 1.293 -1.849 0 CA-C-O 120.958 0.408 . . . . 0.0 111.299 -179.021 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 50.4 ttp180 . . . . . 0 C--N 1.3 -1.557 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.551 176.775 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 38.9 t . . . . . 0 CA--C 1.497 -1.069 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.481 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 57.3 m -98.23 120.87 39.4 Favored 'General case' 0 C--N 1.286 -2.19 0 C-N-CA 118.778 -1.169 . . . . 0.0 108.732 175.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.448 ' HA ' ' NE ' ' A' ' 4' ' ' ARG . 1.0 OUTLIER -121.93 139.8 53.21 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 106.435 -1.691 . . . . 0.0 106.435 -174.289 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 8.4 m -108.66 135.95 49.05 Favored 'General case' 0 C--N 1.288 -2.071 0 C-N-CA 119.298 -0.961 . . . . 0.0 111.908 -173.826 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.7 m -105.55 140.44 23.61 Favored 'Isoleucine or valine' 0 N--CA 1.405 -2.717 0 CA-C-N 114.987 -1.006 . . . . 0.0 108.349 178.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 59.3 m -109.9 126.38 53.8 Favored 'General case' 0 C--N 1.288 -2.099 0 C-N-CA 119.952 -0.699 . . . . 0.0 110.612 -178.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.6 tpt180 -126.44 112.2 15.33 Favored 'General case' 0 C--N 1.286 -2.179 0 CA-C-N 114.827 -1.079 . . . . 0.0 108.309 -176.275 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 59.22 41.65 19.82 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-O 122.563 1.173 . . . . 0.0 110.688 177.264 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.97 -7.01 64.34 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 114.997 -1.001 . . . . 0.0 113.855 178.381 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 49.1 t -103.71 125.29 58.34 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 65.0 m -102.48 122.93 45.31 Favored 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 120.622 -0.431 . . . . 0.0 111.347 -177.497 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -119.51 139.61 51.82 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.329 -0.851 . . . . 0.0 109.135 -178.499 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 59.4 m -102.08 139.18 38.05 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 113.569 0.952 . . . . 0.0 113.569 -173.743 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.6 t -126.55 140.4 48.98 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.042 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 -179.392 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.481 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 61.2 m -103.46 127.2 50.89 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-O 121.596 0.712 . . . . 0.0 111.076 -179.66 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.452 ' HE ' ' HA ' ' A' ' 17' ' ' ARG . 1.3 tpm_? . . . . . 0 C--N 1.303 -1.423 0 CA-C-N 114.679 -1.146 . . . . 0.0 109.291 -172.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 43.9 t . . . . . 0 N--CA 1.443 -0.799 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 89.5 m -103.47 121.59 43.14 Favored 'General case' 0 C--N 1.289 -2.046 0 CA-C-O 121.268 0.556 . . . . 0.0 110.537 -179.335 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 20.9 tpp180 -102.97 112.43 25.25 Favored 'General case' 0 C--N 1.293 -1.891 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 70.6 m -107.61 132.4 53.34 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-O 121.271 0.558 . . . . 0.0 109.956 178.259 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.6 t -124.57 132.25 71.59 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.22 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 -179.255 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 79.7 m -110.14 133.45 53.2 Favored 'General case' 0 C--N 1.297 -1.699 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.229 179.055 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -143.44 120.63 11.5 Favored 'General case' 0 C--N 1.294 -1.822 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.455 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 66.3 ttt180 63.23 29.98 15.88 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-O 122.146 0.974 . . . . 0.0 110.193 174.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.63 -3.22 87.21 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.431 -0.804 . . . . 0.0 112.189 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 81.8 t -101.22 115.01 42.13 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.117 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 73.9 m -101.91 125.56 48.61 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 121.167 0.508 . . . . 0.0 110.971 179.539 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -120.56 139.08 53.45 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 -178.092 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 64.1 m -123.85 140.9 52.53 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-O 121.126 0.488 . . . . 0.0 111.177 -178.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.8 p -125.47 124.85 67.8 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.767 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 175.742 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.1 m -108.26 133.84 51.92 Favored 'General case' 0 C--N 1.298 -1.669 0 C-N-CA 120.239 -0.584 . . . . 0.0 112.382 -176.64 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 25.8 tpt180 . . . . . 0 C--N 1.303 -1.449 0 CA-C-N 115.041 -0.982 . . . . 0.0 110.437 176.968 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 49.0 t . . . . . 0 C--O 1.217 -0.606 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.5 m -107.03 132.98 52.35 Favored 'General case' 0 C--N 1.289 -2.064 0 C-N-CA 120.396 -0.522 . . . . 0.0 111.309 -177.347 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -137.68 132.7 33.29 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.522 176.073 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.557 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 51.4 m -89.99 142.17 27.96 Favored 'General case' 0 CA--C 1.486 -1.513 0 CA-C-O 121.774 0.797 . . . . 0.0 112.273 177.364 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.2 p -132.02 141.05 46.47 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.356 0 N-CA-C 105.904 -1.887 . . . . 0.0 105.904 176.413 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 57.7 m -102.51 131.64 49.09 Favored 'General case' 0 C--N 1.291 -1.952 0 C-N-CA 119.784 -0.767 . . . . 0.0 111.527 -177.49 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -126.88 107.07 9.77 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-N 114.498 -1.228 . . . . 0.0 107.904 179.113 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.5 tpt180 51.06 52.85 14.12 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.051 0.94 . . . . 0.0 111.199 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.24 -14.52 33.43 Favored Glycine 0 C--N 1.314 -0.673 0 CA-C-N 115.31 -0.859 . . . . 0.0 113.491 176.702 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.1 t -96.45 109.93 23.78 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.064 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 56.6 m -95.88 121.45 37.62 Favored 'General case' 0 C--N 1.285 -2.235 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 179.054 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -125.34 137.72 54.05 Favored 'General case' 0 C--N 1.296 -1.741 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.207 -177.396 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.557 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 27.5 m -90.56 130.45 36.59 Favored 'General case' 0 CA--C 1.479 -1.756 0 CA-C-O 122.568 1.175 . . . . 0.0 111.688 174.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 62.1 t -101.07 126.1 54.89 Favored 'Isoleucine or valine' 0 C--N 1.262 -3.239 0 N-CA-C 104.872 -2.27 . . . . 0.0 104.872 176.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 81.6 m -112.61 130.11 56.14 Favored 'General case' 0 C--N 1.283 -2.292 0 C-N-CA 119.933 -0.707 . . . . 0.0 111.248 -177.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 . . . . . 0 C--N 1.283 -2.296 0 CA-C-N 114.594 -1.184 . . . . 0.0 109.992 178.302 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 41.0 t . . . . . 0 N--CA 1.44 -0.974 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 94.5 m -118.15 135.98 53.89 Favored 'General case' 0 C--N 1.284 -2.241 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.0 178.435 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -129.39 138.66 51.63 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.007 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 57.4 m -116.41 126.66 53.76 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-O 121.724 0.774 . . . . 0.0 109.89 178.426 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.0 t -117.91 116.75 52.62 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.116 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.978 -176.086 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.538 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 12.3 m -79.89 129.09 34.21 Favored 'General case' 0 CA--C 1.492 -1.279 0 CA-C-O 122.23 1.014 . . . . 0.0 113.044 176.832 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -130.81 111.81 12.46 Favored 'General case' 0 C--N 1.284 -2.277 0 CA-C-N 113.322 -1.763 . . . . 0.0 106.901 174.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.9 tpt180 60.85 37.29 18.65 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-O 122.752 1.263 . . . . 0.0 109.276 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.89 -11.12 60.69 Favored Glycine 0 N--CA 1.444 -0.792 0 CA-C-N 114.173 -1.376 . . . . 0.0 113.313 179.351 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 60.2 t -97.32 109.89 24.15 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.332 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -178.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.538 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 5.6 m -80.12 121.98 26.24 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-O 121.888 0.851 . . . . 0.0 111.017 175.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 82.3 mtt180 -102.84 118.35 36.64 Favored 'General case' 0 C--N 1.282 -2.363 0 N-CA-C 106.852 -1.536 . . . . 0.0 106.852 177.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 57.9 m -96.7 129.85 44.03 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-O 122.0 0.905 . . . . 0.0 110.896 -178.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.5 t -118.62 128.14 75.55 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.29 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 95.0 m -115.22 134.64 54.96 Favored 'General case' 0 C--N 1.289 -2.053 0 C-N-CA 120.524 -0.47 . . . . 0.0 110.777 178.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 . . . . . 0 C--N 1.305 -1.329 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.413 178.391 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.576 0 N-CA-C 112.705 -0.158 . . . . 0.0 112.705 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 61.8 t -95.62 118.03 40.96 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 77.1 m -107.63 122.44 46.7 Favored 'General case' 0 C--N 1.291 -1.969 0 C-N-CA 120.199 -0.601 . . . . 0.0 110.204 179.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -106.97 138.89 42.27 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 177.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 72.9 m -120.38 126.3 50.14 Favored 'General case' 0 C--N 1.292 -1.912 0 CA-C-O 121.75 0.786 . . . . 0.0 110.969 177.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.5 t -103.4 116.22 46.77 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.54 0 N-CA-C 107.111 -1.44 . . . . 0.0 107.111 178.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 75.5 m -104.3 128.27 52.07 Favored 'General case' 0 C--N 1.288 -2.084 0 C-N-CA 119.996 -0.682 . . . . 0.0 111.08 -178.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -144.98 125.83 14.37 Favored 'General case' 0 C--N 1.289 -2.039 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.108 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 63.02 28.62 16.28 Favored 'General case' 0 CA--C 1.558 1.263 0 CA-C-O 122.286 1.041 . . . . 0.0 110.443 175.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.02 -7.41 71.0 Favored Glycine 0 CA--C 1.525 0.701 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.871 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 60.7 t -98.08 124.76 51.31 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.058 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.8 m -107.6 120.33 41.92 Favored 'General case' 0 C--N 1.296 -1.744 0 CA-C-O 121.864 0.84 . . . . 0.0 111.18 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -99.35 110.66 23.14 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 63.2 m -100.66 133.58 44.91 Favored 'General case' 0 C--N 1.285 -2.199 0 CA-C-O 121.839 0.828 . . . . 0.0 110.844 -178.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 58.0 t -121.86 117.46 52.51 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.331 0 CA-C-N 114.38 -1.282 . . . . 0.0 107.69 -178.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 70.7 m -97.94 133.21 42.74 Favored 'General case' 0 C--N 1.292 -1.912 0 CA-C-O 121.422 0.63 . . . . 0.0 110.567 178.013 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.7 tpt180 -144.02 110.65 5.59 Favored 'General case' 0 C--N 1.294 -1.829 0 CA-C-N 114.888 -1.051 . . . . 0.0 109.518 -178.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 63.5 ttt180 . . . . . 0 CA--C 1.55 0.958 0 C-N-CA 124.178 0.991 . . . . 0.0 111.205 175.851 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.844 0 CA-C-O 120.287 -0.174 . . . . 0.0 113.476 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 43.6 t -93.8 109.27 21.69 Favored 'Isoleucine or valine' 0 C--O 1.249 1.044 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.0 m -102.63 140.51 36.82 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-O 121.397 0.618 . . . . 0.0 112.185 -177.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.2 ptt180 -131.33 127.03 36.81 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.37 175.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 79.8 m -101.3 144.09 30.56 Favored 'General case' 0 C--N 1.288 -2.068 0 CA-C-O 120.954 0.407 . . . . 0.0 111.008 178.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.6 t -131.51 124.96 55.53 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.317 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 177.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 77.1 m -106.97 136.6 46.55 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-O 121.076 0.465 . . . . 0.0 111.573 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 51.5 ttp180 -139.63 109.17 6.21 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.047 177.112 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 45.5 ttt180 47.62 53.54 11.03 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.626 1.57 . . . . 0.0 112.518 176.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.2 -19.8 47.41 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.442 -0.799 . . . . 0.0 113.707 176.316 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 46.1 t -100.9 114.47 40.05 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 -178.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 83.0 m -106.78 121.82 45.15 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-O 121.385 0.612 . . . . 0.0 110.769 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.425 ' HA ' ' HE ' ' A' ' 13' ' ' ARG . 1.9 tpm_? -110.35 121.28 44.91 Favored 'General case' 0 C--N 1.294 -1.845 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 -179.46 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 59.8 m -102.75 125.88 49.65 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-O 121.719 0.771 . . . . 0.0 110.573 177.502 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.9 t -103.66 116.75 47.99 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.359 0 CA-C-N 114.071 -1.422 . . . . 0.0 107.479 -178.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 75.2 m -109.07 134.98 50.97 Favored 'General case' 0 C--N 1.284 -2.269 0 CA-C-O 121.179 0.514 . . . . 0.0 110.91 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -137.32 107.99 6.59 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.734 177.175 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 . . . . . 0 C--N 1.32 -0.71 0 C-N-CA 125.279 1.432 . . . . 0.0 110.768 176.443 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.22 0 CA-C-O 120.362 -0.132 . . . . 0.0 113.071 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 58.0 t -100.78 125.1 54.72 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 -178.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.501 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 72.8 m -93.66 121.38 35.03 Favored 'General case' 0 C--N 1.294 -1.809 0 C-N-CA 119.571 -0.851 . . . . 0.0 109.295 178.013 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -118.79 125.67 50.13 Favored 'General case' 0 N--CA 1.427 -1.591 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.054 -173.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.47 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 52.6 m -101.09 137.63 39.2 Favored 'General case' 0 C--N 1.291 -1.949 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.513 177.568 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.2 p -128.44 134.33 64.95 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.358 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.058 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 86.2 m -104.35 128.14 52.13 Favored 'General case' 0 N--CA 1.411 -2.4 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 177.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -134.62 122.02 21.71 Favored 'General case' 0 C--N 1.282 -2.338 0 CA-C-N 115.294 -0.866 . . . . 0.0 108.674 -177.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.8 tpm_? 60.02 29.91 19.44 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-O 122.233 1.016 . . . . 0.0 110.604 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.85 -18.87 51.81 Favored Glycine 0 N--CA 1.44 -1.1 0 CA-C-N 115.367 -0.833 . . . . 0.0 113.2 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 57.7 t -92.3 135.81 26.39 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 -178.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 61.8 m -113.1 129.64 56.44 Favored 'General case' 0 C--N 1.303 -1.444 0 C-N-CA 120.057 -0.657 . . . . 0.0 111.007 -177.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 71.3 mtt180 -129.02 139.08 52.21 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.979 -177.292 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.47 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 38.1 m -111.8 130.59 55.76 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.74 0.781 . . . . 0.0 111.224 -179.57 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 98.7 t -123.43 128.52 74.74 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.889 0 CA-C-N 114.288 -1.324 . . . . 0.0 107.66 -178.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.501 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 64.2 m -92.58 126.92 37.88 Favored 'General case' 0 C--N 1.302 -1.487 0 C-N-CA 120.219 -0.593 . . . . 0.0 110.513 177.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.4 tpm_? -133.39 109.81 9.59 Favored 'General case' 0 N--CA 1.424 -1.765 0 CA-C-N 114.845 -1.071 . . . . 0.0 109.188 -173.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 53.6 ttp180 . . . . . 0 CA--C 1.542 0.663 0 CA-C-O 122.124 0.964 . . . . 0.0 111.116 173.187 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.235 0 N-CA-C 112.332 -0.307 . . . . 0.0 112.332 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 99.4 t -89.71 125.88 42.65 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.145 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 -177.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 89.6 m -109.12 128.57 55.12 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-O 120.949 0.404 . . . . 0.0 110.285 178.165 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -129.76 138.36 51.04 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 38.0 m -111.13 139.17 46.73 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-O 121.395 0.617 . . . . 0.0 111.877 -175.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 39.5 t -115.92 127.15 73.6 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.295 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 77.8 m -99.13 127.66 45.13 Favored 'General case' 0 C--N 1.297 -1.717 0 C-N-CA 119.775 -0.77 . . . . 0.0 110.303 176.796 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -133.2 107.62 8.28 Favored 'General case' 0 N--CA 1.416 -2.174 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.195 -175.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 57.95 42.14 23.33 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.091 174.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.46 -16.42 60.01 Favored Glycine 0 N--CA 1.446 -0.635 0 CA-C-N 115.433 -0.803 . . . . 0.0 113.583 178.365 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.7 t -103.66 121.37 55.02 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.058 0 CA-C-N 117.691 0.746 . . . . 0.0 109.378 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 78.6 m -98.1 121.94 40.63 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 121.257 0.551 . . . . 0.0 110.434 179.075 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.4 tpp180 -113.39 137.07 52.05 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 -178.024 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.8 m -108.78 134.47 51.43 Favored 'General case' 0 C--N 1.302 -1.5 0 C-N-CA 119.876 -0.73 . . . . 0.0 111.926 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 74.5 t -120.28 130.89 73.85 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 CA-C-N 114.655 -1.157 . . . . 0.0 108.259 -178.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 63.1 m -115.5 135.98 53.55 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 120.769 -0.373 . . . . 0.0 111.046 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -142.5 129.4 20.62 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.007 177.013 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 . . . . . 0 CA--C 1.559 1.325 0 CA-C-O 122.306 1.05 . . . . 0.0 111.776 174.323 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.587 0 N-CA-C 112.254 -0.338 . . . . 0.0 112.254 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 49.1 t -117.2 126.58 74.6 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.153 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 77.0 m -106.61 124.17 49.2 Favored 'General case' 0 C--N 1.292 -1.925 0 C-N-CA 120.252 -0.579 . . . . 0.0 109.798 176.042 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 20.7 tpp180 -122.21 124.22 43.31 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.447 -178.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 84.6 m -104.43 134.06 48.27 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 172.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.3 t -117.95 119.87 62.83 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.562 0 N-CA-C 106.638 -1.616 . . . . 0.0 106.638 176.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 68.9 m -104.21 130.29 51.98 Favored 'General case' 0 C--N 1.29 -2.002 0 C-N-CA 120.109 -0.636 . . . . 0.0 112.062 -177.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -136.63 111.29 8.68 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-N 114.931 -1.031 . . . . 0.0 109.652 177.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.0 tpm_? 59.93 39.96 19.61 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-O 122.67 1.224 . . . . 0.0 110.695 176.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.98 -7.68 73.72 Favored Glycine 0 N--CA 1.439 -1.114 0 CA-C-N 114.832 -1.077 . . . . 0.0 112.554 177.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 46.8 t -97.19 113.23 31.03 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.139 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 178.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 80.3 m -102.95 121.9 43.49 Favored 'General case' 0 C--N 1.287 -2.131 0 CA-C-O 121.463 0.649 . . . . 0.0 111.129 -178.413 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.44 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 38.0 mmt180 -97.91 118.63 34.93 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 177.356 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 61.0 m -115.3 126.63 54.71 Favored 'General case' 0 C--N 1.299 -1.587 0 CA-C-O 121.263 0.554 . . . . 0.0 110.524 -179.136 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 72.7 t -127.13 122.89 61.06 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.327 0 CA-C-N 114.889 -1.051 . . . . 0.0 109.302 -177.331 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 86.3 m -98.09 129.42 44.92 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 174.141 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -153.74 133.68 13.16 Favored 'General case' 0 C--N 1.292 -1.928 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.282 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.5 tpt180 . . . . . 0 CA--C 1.553 1.086 0 C-N-CA 123.679 0.792 . . . . 0.0 111.797 172.599 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.507 0 N-CA-C 113.626 0.21 . . . . 0.0 113.626 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 41.3 t -113.42 113.39 43.84 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 O-C-N 122.209 -0.583 . . . . 0.0 109.719 178.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 96.2 m -106.42 123.01 47.43 Favored 'General case' 0 C--N 1.302 -1.457 0 C-N-CA 120.25 -0.58 . . . . 0.0 110.548 176.07 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -112.02 120.79 43.06 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 177.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 59.5 m -107.23 141.81 37.96 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-O 121.42 0.629 . . . . 0.0 111.765 -176.559 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.3 p -134.06 136.92 52.96 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.399 0 CA-C-N 115.027 -0.988 . . . . 0.0 108.948 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 64.6 m -112.91 133.86 54.69 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-O 121.049 0.452 . . . . 0.0 110.698 -179.076 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 51.1 ttp180 -140.11 123.55 17.06 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.195 177.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 62.08 28.04 16.93 Favored 'General case' 0 CA--C 1.556 1.179 0 CA-C-O 122.213 1.006 . . . . 0.0 110.485 176.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.77 -7.55 80.75 Favored Glycine 0 C--N 1.316 -0.528 0 CA-C-N 115.76 -0.654 . . . . 0.0 112.394 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 44.7 t -96.59 122.87 48.53 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.06 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 77.0 m -109.23 121.76 45.85 Favored 'General case' 0 C--N 1.291 -1.973 0 C-N-CA 120.149 -0.62 . . . . 0.0 110.261 -178.518 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.1 ttp85 -113.7 137.7 51.25 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 178.257 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 67.5 m -109.13 134.71 51.36 Favored 'General case' 0 C--N 1.29 -2.007 0 CA-C-O 121.608 0.718 . . . . 0.0 110.611 177.695 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.8 t -102.23 116.19 45.45 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.534 0 N-CA-C 105.825 -1.917 . . . . 0.0 105.825 177.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 95.4 m -111.18 127.17 55.5 Favored 'General case' 0 C--N 1.28 -2.453 0 C-N-CA 120.088 -0.645 . . . . 0.0 110.706 -178.206 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -135.99 102.27 4.98 Favored 'General case' 0 C--N 1.287 -2.139 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.289 -177.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.7 tpt180 . . . . . 0 C--N 1.315 -0.923 0 C-N-CA 125.545 1.538 . . . . 0.0 112.898 174.583 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.937 0 N-CA-C 113.286 0.074 . . . . 0.0 113.286 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 99.0 t -105.42 111.17 33.64 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.193 0 O-C-N 122.111 -0.641 . . . . 0.0 110.438 -179.064 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 98.9 m -101.63 121.03 41.26 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-O 121.347 0.594 . . . . 0.0 109.491 174.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -106.31 115.21 29.82 Favored 'General case' 0 C--N 1.29 -1.993 0 CA-C-N 114.984 -1.007 . . . . 0.0 108.661 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 63.4 m -111.53 129.52 56.03 Favored 'General case' 0 C--N 1.285 -2.202 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 176.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.1 p -135.49 139.83 45.83 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.656 0 CA-C-N 115.207 -0.906 . . . . 0.0 108.64 -177.243 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.478 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 61.0 m -107.53 136.46 47.26 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-O 121.069 0.461 . . . . 0.0 110.874 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -141.16 116.31 9.94 Favored 'General case' 0 N--CA 1.425 -1.695 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.415 178.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 32.9 ttm180 59.33 39.01 22.83 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.924 -1.034 . . . . 0.0 110.46 176.101 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.84 -17.53 52.43 Favored Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 115.18 -0.918 . . . . 0.0 112.786 178.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 45.0 t -94.72 112.2 26.86 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 -177.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.478 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 68.6 m -93.95 134.39 36.39 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 176.401 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 -133.13 137.96 46.48 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.548 -177.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 79.0 m -114.03 136.58 52.76 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-O 121.594 0.711 . . . . 0.0 110.755 178.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.5 t -118.82 116.41 51.06 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.204 0 N-CA-C 106.509 -1.663 . . . . 0.0 106.509 176.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 92.4 m -102.29 127.28 49.34 Favored 'General case' 0 C--N 1.288 -2.074 0 CA-C-O 121.455 0.645 . . . . 0.0 110.538 178.133 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 26.4 tpt180 -139.3 100.41 3.99 Favored 'General case' 0 N--CA 1.417 -2.1 0 CA-C-N 115.03 -0.986 . . . . 0.0 109.292 -176.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 . . . . . 0 C--O 1.242 0.672 0 C-N-CA 124.486 1.114 . . . . 0.0 112.63 175.041 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.148 0 N-CA-C 112.563 -0.215 . . . . 0.0 112.563 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 48.2 t -97.1 112.76 29.82 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.101 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 -177.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 96.1 m -99.36 122.18 42.14 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 176.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -133.46 137.88 45.92 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 -178.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.493 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 34.4 m -98.89 135.99 39.53 Favored 'General case' 0 C--N 1.305 -1.348 0 CA-C-O 121.38 0.609 . . . . 0.0 110.955 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.3 t -126.09 138.72 53.69 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.377 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 -177.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 69.3 m -109.76 124.0 50.51 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-O 121.336 0.589 . . . . 0.0 110.874 178.624 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -131.31 113.51 13.88 Favored 'General case' 0 C--N 1.293 -1.862 0 CA-C-N 114.861 -1.063 . . . . 0.0 108.993 -177.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 55.77 43.94 26.98 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-O 122.458 1.123 . . . . 0.0 111.039 177.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.29 -9.41 61.25 Favored Glycine 0 N--CA 1.441 -1.026 0 CA-C-N 115.039 -0.982 . . . . 0.0 113.371 177.185 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 70.5 t -99.08 113.0 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.361 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 179.102 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 71.6 m -96.47 121.3 38.13 Favored 'General case' 0 C--N 1.284 -2.277 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 177.148 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -124.06 139.23 54.15 Favored 'General case' 0 C--N 1.292 -1.933 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.089 -176.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.493 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 52.6 m -101.61 125.49 48.28 Favored 'General case' 0 N--CA 1.423 -1.796 0 CA-C-O 122.212 1.006 . . . . 0.0 110.598 179.449 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 39.8 t -110.22 122.09 64.18 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.547 0 CA-C-N 114.148 -1.387 . . . . 0.0 108.728 -174.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 72.1 m -105.73 127.52 53.13 Favored 'General case' 0 C--N 1.291 -1.941 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.048 177.597 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.6 ttp180 -148.86 121.82 8.79 Favored 'General case' 0 C--N 1.288 -2.097 0 CA-C-N 115.355 -0.838 . . . . 0.0 110.263 -178.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.1 tpp180 . . . . . 0 C--N 1.321 -0.641 0 C-N-CA 124.477 1.111 . . . . 0.0 111.075 174.974 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.053 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 56.9 t -86.62 113.82 24.99 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.944 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -177.603 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 83.6 m -92.99 127.03 38.36 Favored 'General case' 0 C--N 1.297 -1.683 0 CA-C-O 121.377 0.608 . . . . 0.0 112.022 -176.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -128.29 135.39 49.57 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 59.3 m -98.2 146.23 25.82 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 -173.62 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.4 p -142.1 140.81 29.42 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 178.369 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.453 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 58.2 m -108.56 129.8 55.3 Favored 'General case' 0 C--N 1.298 -1.67 0 C-N-CA 120.246 -0.582 . . . . 0.0 110.423 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -133.8 116.93 16.29 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-N 114.89 -1.05 . . . . 0.0 109.802 -176.117 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 61.18 34.11 19.01 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.614 1.166 . . . . 0.0 110.633 175.38 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.15 -1.08 87.66 Favored Glycine 0 N--CA 1.45 -0.415 0 CA-C-N 115.182 -0.917 . . . . 0.0 112.885 178.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.6 t -111.55 120.74 62.73 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.972 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 179.162 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.453 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 84.3 m -92.93 124.07 36.64 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-O 121.08 0.466 . . . . 0.0 110.52 -179.681 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 -124.19 139.09 54.26 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 115.371 -0.831 . . . . 0.0 108.869 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 30.6 m -106.58 125.25 50.77 Favored 'General case' 0 C--N 1.287 -2.132 0 C-N-CA 119.028 -1.069 . . . . 0.0 110.209 177.151 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.4 t -101.43 132.9 46.35 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.315 0 CA-C-N 114.129 -1.396 . . . . 0.0 107.322 -176.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.6 m -106.49 128.41 54.06 Favored 'General case' 0 N--CA 1.414 -2.256 0 CA-C-O 122.11 0.957 . . . . 0.0 111.24 -177.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -117.42 100.67 7.82 Favored 'General case' 0 C--N 1.289 -2.033 0 CA-C-N 113.729 -1.578 . . . . 0.0 108.938 -174.223 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 . . . . . 0 CA--C 1.548 0.896 0 CA-C-O 122.9 1.333 . . . . 0.0 110.05 177.836 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.974 0 N-CA-C 112.12 -0.392 . . . . 0.0 112.12 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 62.0 t -87.62 118.59 33.73 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 -179.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.3 m -110.36 133.47 53.23 Favored 'General case' 0 C--N 1.296 -1.751 0 C-N-CA 120.469 -0.493 . . . . 0.0 111.904 -176.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -118.69 125.45 49.71 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 176.266 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 55.7 m -110.8 136.69 49.48 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 120.887 0.375 . . . . 0.0 110.922 -176.486 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.2 t -136.12 139.25 46.06 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 177.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 62.9 m -104.14 135.92 44.73 Favored 'General case' 0 C--N 1.302 -1.467 0 CA-C-O 121.033 0.444 . . . . 0.0 110.483 -179.708 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 23.5 tpt180 -134.52 112.79 11.17 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.038 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.441 ' HE ' ' HA ' ' A' ' 9' ' ' ARG . 2.1 tpm_? 59.24 37.18 23.83 Favored 'General case' 0 CA--C 1.557 1.249 0 CA-C-O 121.915 0.864 . . . . 0.0 111.212 174.794 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.95 -14.32 64.63 Favored Glycine 0 C--N 1.318 -0.464 0 CA-C-N 115.897 -0.592 . . . . 0.0 113.056 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.9 t -95.77 115.54 35.17 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.913 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 73.9 m -95.7 125.71 40.47 Favored 'General case' 0 C--N 1.294 -1.843 0 C-N-CA 119.784 -0.766 . . . . 0.0 109.363 176.569 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 59.5 ttp85 -128.4 136.95 51.59 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.685 -176.07 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 38.9 m -113.24 131.97 55.7 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 121.412 0.625 . . . . 0.0 111.165 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.2 t -99.23 116.99 43.69 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.123 0 N-CA-C 106.262 -1.755 . . . . 0.0 106.262 177.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.6 m -107.22 134.98 49.51 Favored 'General case' 0 C--N 1.294 -1.827 0 C-N-CA 120.073 -0.651 . . . . 0.0 111.142 -178.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -136.73 110.82 8.31 Favored 'General case' 0 C--N 1.295 -1.763 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.464 178.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 . . . . . 0 CA--C 1.546 0.812 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.139 174.722 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.785 0 N-CA-C 112.641 -0.184 . . . . 0.0 112.641 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 43.0 t -108.92 117.83 55.16 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.28 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 -179.251 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 73.6 m -103.47 121.48 42.92 Favored 'General case' 0 C--N 1.282 -2.351 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.671 178.702 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -113.66 134.14 54.91 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 177.597 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.46 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 36.1 m -102.51 121.83 43.14 Favored 'General case' 0 N--CA 1.417 -2.119 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 174.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.8 t -98.91 123.95 51.84 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.606 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 -177.018 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 60.3 m -102.04 137.1 40.77 Favored 'General case' 0 C--N 1.287 -2.128 0 C-N-CA 119.862 -0.735 . . . . 0.0 111.673 -176.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.7 ttm-85 -134.73 113.1 11.31 Favored 'General case' 0 C--N 1.292 -1.904 0 CA-C-N 114.217 -1.356 . . . . 0.0 108.681 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 54.85 36.75 27.28 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.581 1.152 . . . . 0.0 111.474 178.155 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.88 -1.47 85.18 Favored Glycine 0 CA--C 1.522 0.505 0 C-N-CA 120.851 -0.69 . . . . 0.0 113.72 177.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.1 t -108.48 129.48 62.82 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 177.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 54.3 m -113.24 129.11 56.61 Favored 'General case' 0 C--N 1.3 -1.553 0 C-N-CA 119.421 -0.912 . . . . 0.0 112.631 -175.451 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -105.19 127.93 53.16 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 177.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.46 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 50.7 m -101.44 126.19 48.19 Favored 'General case' 0 C--N 1.307 -1.258 0 C-N-CA 119.361 -0.936 . . . . 0.0 111.487 -179.583 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.6 t -119.14 135.58 59.07 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.994 0 CA-C-N 114.341 -1.3 . . . . 0.0 107.771 -177.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 85.3 m -113.59 132.57 55.68 Favored 'General case' 0 C--N 1.302 -1.492 0 C-N-CA 120.212 -0.595 . . . . 0.0 111.725 -178.756 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 -143.65 118.74 10.08 Favored 'General case' 0 C--N 1.296 -1.742 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.788 179.323 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 . . . . . 0 CA--C 1.542 0.668 0 C-N-CA 124.087 0.955 . . . . 0.0 111.223 174.808 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.141 0 N-CA-C 113.934 0.334 . . . . 0.0 113.934 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 39.0 t -100.1 114.06 37.49 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.001 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 -179.257 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 75.6 m -107.64 139.2 42.55 Favored 'General case' 0 C--N 1.294 -1.829 0 C-N-CA 120.962 -0.295 . . . . 0.0 110.277 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 58.5 mtm180 -131.66 138.84 48.91 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 177.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 70.0 m -103.93 133.83 48.24 Favored 'General case' 0 C--N 1.3 -1.545 0 CA-C-O 121.863 0.84 . . . . 0.0 112.194 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.8 t -107.47 116.44 51.02 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.208 0 N-CA-C 106.434 -1.691 . . . . 0.0 106.434 178.024 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 71.7 m -103.93 131.57 51.04 Favored 'General case' 0 C--N 1.291 -1.948 0 CA-C-O 121.402 0.62 . . . . 0.0 110.942 -179.384 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -136.04 102.61 5.08 Favored 'General case' 0 C--N 1.287 -2.109 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.376 -178.215 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 54.58 46.42 24.86 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.202 1.001 . . . . 0.0 111.186 176.129 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.96 -19.8 46.66 Favored Glycine 0 C--N 1.312 -0.795 0 CA-C-N 115.407 -0.815 . . . . 0.0 113.477 178.032 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 55.6 t -92.34 112.46 25.91 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.191 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.3 m -103.71 121.42 42.95 Favored 'General case' 0 C--N 1.292 -1.931 0 CA-C-O 121.876 0.846 . . . . 0.0 110.267 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -115.76 124.59 51.16 Favored 'General case' 0 C--N 1.292 -1.93 0 N-CA-C 107.837 -1.171 . . . . 0.0 107.837 -179.279 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 22.5 m -109.01 134.77 51.21 Favored 'General case' 0 C--N 1.291 -1.946 0 CA-C-O 121.328 0.585 . . . . 0.0 110.912 -174.502 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 47.5 t -117.41 137.76 50.29 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 -179.436 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 76.3 m -115.05 146.08 41.64 Favored 'General case' 0 C--N 1.294 -1.833 0 C-N-CA 120.427 -0.509 . . . . 0.0 111.417 -178.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.8 ttp180 -139.12 107.48 5.81 Favored 'General case' 0 N--CA 1.429 -1.491 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.707 172.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 57.9 ttp180 . . . . . 0 CA--C 1.539 0.533 0 C-N-CA 126.059 1.743 . . . . 0.0 112.241 177.077 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -1.02 0 N-CA-C 112.343 -0.303 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 42.1 t -107.94 130.63 60.06 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.083 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 -178.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 81.4 m -102.82 133.58 47.66 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-O 121.051 0.453 . . . . 0.0 110.676 179.526 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 29.1 ttm180 -127.34 138.23 52.98 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 60.8 m -108.93 129.59 55.43 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-O 121.827 0.823 . . . . 0.0 110.67 177.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.2 t -105.75 117.1 50.87 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.256 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 75.0 m -109.54 131.01 55.46 Favored 'General case' 0 C--N 1.293 -1.89 0 CA-C-O 121.381 0.61 . . . . 0.0 111.594 -177.329 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.7 tpt180 -140.86 115.63 9.64 Favored 'General case' 0 C--N 1.297 -1.715 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.926 179.244 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 56.0 ttp180 58.71 34.48 23.81 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.553 1.141 . . . . 0.0 110.338 177.247 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.68 -19.21 49.51 Favored Glycine 0 N--CA 1.443 -0.89 0 CA-C-N 115.244 -0.889 . . . . 0.0 112.9 179.29 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 68.0 t -84.04 111.52 20.08 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 179.415 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 86.7 m -102.49 129.35 48.99 Favored 'General case' 0 C--N 1.287 -2.124 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.471 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 -118.87 116.56 26.75 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 107.81 -1.182 . . . . 0.0 107.81 178.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 58.9 m -95.78 133.17 40.21 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-O 121.662 0.744 . . . . 0.0 111.095 179.271 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.1 t -124.62 137.08 58.58 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.92 0 CA-C-N 114.447 -1.252 . . . . 0.0 107.726 -176.053 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 75.4 m -118.38 128.99 55.17 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 120.344 -0.542 . . . . 0.0 110.658 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.6 ptt180 -149.18 140.58 23.27 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.704 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.49 ' HG2' ' O ' ' A' ' 18' ' ' ARG . 45.4 ttt180 . . . . . 0 CA--C 1.559 1.296 0 CA-C-O 122.788 1.28 . . . . 0.0 110.544 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.782 0 N-CA-C 114.023 0.369 . . . . 0.0 114.023 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 50.8 t -115.69 122.84 70.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 117.777 0.789 . . . . 0.0 109.582 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 77.2 m -108.48 121.74 45.59 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-O 120.997 0.427 . . . . 0.0 110.996 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -115.38 138.97 50.43 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 177.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 38.7 m -114.06 122.04 45.66 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-O 121.812 0.815 . . . . 0.0 110.257 179.405 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 43.5 t -104.69 128.51 58.27 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.665 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 -176.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 56.9 m -107.47 135.08 49.55 Favored 'General case' 0 C--N 1.289 -2.036 0 CA-C-O 121.402 0.62 . . . . 0.0 111.346 -176.145 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 36.9 ttt180 -126.71 107.39 10.13 Favored 'General case' 0 C--N 1.291 -1.941 0 CA-C-N 114.65 -1.159 . . . . 0.0 108.425 179.309 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 57.41 40.19 27.6 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-O 122.296 1.046 . . . . 0.0 110.13 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.83 -14.94 55.2 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 114.95 -1.023 . . . . 0.0 113.479 178.525 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 44.6 t -88.53 115.48 28.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 64.1 m -103.15 127.91 50.28 Favored 'General case' 0 C--N 1.285 -2.218 0 C-N-CA 120.198 -0.601 . . . . 0.0 112.124 -175.496 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.2 ptp180 -114.65 138.67 50.4 Favored 'General case' 0 C--N 1.311 -1.082 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 173.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 59.6 m -106.59 137.82 43.91 Favored 'General case' 0 C--N 1.294 -1.812 0 CA-C-O 121.474 0.654 . . . . 0.0 111.107 -178.158 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 58.2 t -120.13 116.87 51.66 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.849 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 73.4 m -99.34 127.28 45.34 Favored 'General case' 0 C--N 1.29 -1.999 0 CA-C-O 121.418 0.628 . . . . 0.0 110.161 177.69 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.3 tpt180 -131.8 104.73 7.05 Favored 'General case' 0 C--N 1.293 -1.862 0 CA-C-N 114.789 -1.096 . . . . 0.0 110.428 -178.412 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 . . . . . 0 C--O 1.241 0.632 0 C-N-CA 125.376 1.471 . . . . 0.0 112.089 173.307 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.931 0 N-CA-C 113.328 0.091 . . . . 0.0 113.328 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 59.7 t -102.31 121.32 53.22 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.133 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 84.6 m -110.6 125.1 53.04 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-O 121.399 0.618 . . . . 0.0 110.316 179.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -113.74 113.21 24.66 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 57.2 m -104.57 138.92 40.2 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 177.693 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.2 p -134.64 140.67 45.2 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.403 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 -179.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 71.8 m -101.71 127.79 48.32 Favored 'General case' 0 N--CA 1.432 -1.338 0 CA-C-O 122.242 1.02 . . . . 0.0 112.467 -179.27 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.0 tpt180 -121.6 92.54 3.77 Favored 'General case' 0 C--N 1.292 -1.933 0 CA-C-N 113.903 -1.499 . . . . 0.0 108.918 -178.408 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 54.15 52.66 12.29 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 123.937 0.895 . . . . 0.0 111.397 174.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.61 -19.71 46.19 Favored Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 115.435 -0.802 . . . . 0.0 113.142 178.365 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 51.7 t -97.69 109.46 23.54 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.068 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 60.1 m -98.24 121.6 40.37 Favored 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.147 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.4 ptt180 -114.47 137.25 52.08 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.985 -176.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 85.0 m -111.57 133.35 53.9 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 121.803 0.811 . . . . 0.0 111.237 -179.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 84.9 t -118.45 127.82 75.47 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.368 0 N-CA-C 107.019 -1.475 . . . . 0.0 107.019 178.008 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.5 m -119.79 135.06 55.01 Favored 'General case' 0 C--N 1.295 -1.782 0 C-N-CA 120.247 -0.581 . . . . 0.0 111.287 -177.465 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 -145.92 119.66 9.23 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.152 177.333 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 45.1 ttt180 . . . . . 0 CA--C 1.551 0.991 0 C-N-CA 125.137 1.375 . . . . 0.0 111.905 175.276 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.97 0 CA-C-O 120.271 -0.183 . . . . 0.0 113.358 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.1 t -98.35 107.64 20.66 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.336 0 CA-C-O 121.215 0.531 . . . . 0.0 110.072 -178.28 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 96.3 m -103.98 124.71 49.51 Favored 'General case' 0 N--CA 1.423 -1.823 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.339 177.238 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 63.0 mtm180 -112.01 118.67 36.08 Favored 'General case' 0 C--N 1.292 -1.894 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 174.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 69.2 m -108.88 141.35 41.06 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.565 -179.411 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.1 p -135.75 138.65 47.54 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.025 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 178.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 80.8 m -113.91 142.7 45.8 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-O 121.082 0.467 . . . . 0.0 111.332 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 52.7 ttp180 -142.99 105.13 4.41 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.923 174.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.5 ttt180 59.16 42.85 18.06 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-O 122.328 1.061 . . . . 0.0 111.133 173.012 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.69 -14.05 65.09 Favored Glycine 0 N--CA 1.444 -0.772 0 CA-C-N 115.042 -0.981 . . . . 0.0 113.014 178.1 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 46.5 t -94.82 109.96 23.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 179.08 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 73.5 m -108.17 125.16 51.3 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-O 121.093 0.473 . . . . 0.0 110.496 -177.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 63.5 mtm180 -119.17 136.24 54.28 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.738 -178.292 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 68.2 m -120.6 139.4 53.03 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-O 121.041 0.448 . . . . 0.0 110.435 178.482 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.2 t -116.43 116.5 52.46 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.127 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 174.638 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 85.0 m -108.83 133.68 52.55 Favored 'General case' 0 C--N 1.293 -1.849 0 CA-C-O 120.958 0.408 . . . . 0.0 111.299 -179.021 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 50.4 ttp180 -149.18 112.88 5.07 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.551 176.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 55.0 ttp180 . . . . . 0 C--O 1.251 1.141 0 C-N-CA 125.479 1.512 . . . . 0.0 111.566 175.052 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.523 0 CA-C-O 120.885 0.159 . . . . 0.0 112.757 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 38.9 t -99.58 130.47 48.56 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.136 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -178.076 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.481 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 57.3 m -98.23 120.87 39.4 Favored 'General case' 0 C--N 1.286 -2.19 0 C-N-CA 118.778 -1.169 . . . . 0.0 108.732 175.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.448 ' HA ' ' NE ' ' A' ' 4' ' ' ARG . 1.0 OUTLIER -121.93 139.8 53.21 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 106.435 -1.691 . . . . 0.0 106.435 -174.289 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 8.4 m -108.66 135.95 49.05 Favored 'General case' 0 C--N 1.288 -2.071 0 C-N-CA 119.298 -0.961 . . . . 0.0 111.908 -173.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.7 m -105.55 140.44 23.61 Favored 'Isoleucine or valine' 0 N--CA 1.405 -2.717 0 CA-C-N 114.987 -1.006 . . . . 0.0 108.349 178.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 59.3 m -109.9 126.38 53.8 Favored 'General case' 0 C--N 1.288 -2.099 0 C-N-CA 119.952 -0.699 . . . . 0.0 110.612 -178.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.6 tpt180 -126.44 112.2 15.33 Favored 'General case' 0 C--N 1.286 -2.179 0 CA-C-N 114.827 -1.079 . . . . 0.0 108.309 -176.275 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 59.22 41.65 19.82 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-O 122.563 1.173 . . . . 0.0 110.688 177.264 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.97 -7.01 64.34 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 114.997 -1.001 . . . . 0.0 113.855 178.381 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 49.1 t -103.71 125.29 58.34 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 65.0 m -102.48 122.93 45.31 Favored 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 120.622 -0.431 . . . . 0.0 111.347 -177.497 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -119.51 139.61 51.82 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.329 -0.851 . . . . 0.0 109.135 -178.499 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 59.4 m -102.08 139.18 38.05 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 113.569 0.952 . . . . 0.0 113.569 -173.743 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.6 t -126.55 140.4 48.98 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.042 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 -179.392 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.481 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 61.2 m -103.46 127.2 50.89 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-O 121.596 0.712 . . . . 0.0 111.076 -179.66 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.452 ' HE ' ' HA ' ' A' ' 17' ' ' ARG . 1.3 tpm_? -142.2 118.68 10.93 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-N 114.679 -1.146 . . . . 0.0 109.291 -172.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.419 ' HG2' ' O ' ' A' ' 18' ' ' ARG . 41.2 ttm180 . . . . . 0 CA--C 1.548 0.877 0 CA-C-O 122.625 1.203 . . . . 0.0 110.023 177.398 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.799 0 N-CA-C 112.957 -0.057 . . . . 0.0 112.957 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 43.9 t -93.75 109.92 22.65 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.143 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 -178.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 89.5 m -103.47 121.59 43.14 Favored 'General case' 0 C--N 1.289 -2.046 0 CA-C-O 121.268 0.556 . . . . 0.0 110.537 -179.335 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 20.9 tpp180 -102.97 112.43 25.25 Favored 'General case' 0 C--N 1.293 -1.891 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 70.6 m -107.61 132.4 53.34 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-O 121.271 0.558 . . . . 0.0 109.956 178.259 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.6 t -124.57 132.25 71.59 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.22 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 -179.255 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 79.7 m -110.14 133.45 53.2 Favored 'General case' 0 C--N 1.297 -1.699 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.229 179.055 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -143.44 120.63 11.5 Favored 'General case' 0 C--N 1.294 -1.822 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.455 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 66.3 ttt180 63.23 29.98 15.88 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-O 122.146 0.974 . . . . 0.0 110.193 174.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.63 -3.22 87.21 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.431 -0.804 . . . . 0.0 112.189 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 81.8 t -101.22 115.01 42.13 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.117 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 73.9 m -101.91 125.56 48.61 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 121.167 0.508 . . . . 0.0 110.971 179.539 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -120.56 139.08 53.45 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 -178.092 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 64.1 m -123.85 140.9 52.53 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-O 121.126 0.488 . . . . 0.0 111.177 -178.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.8 p -125.47 124.85 67.8 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.767 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 175.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.1 m -108.26 133.84 51.92 Favored 'General case' 0 C--N 1.298 -1.669 0 C-N-CA 120.239 -0.584 . . . . 0.0 112.382 -176.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 25.8 tpt180 -132.28 104.18 6.61 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-N 115.041 -0.982 . . . . 0.0 110.437 176.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 . . . . . 0 C--O 1.244 0.773 0 C-N-CA 125.206 1.403 . . . . 0.0 112.212 175.64 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.911 0 CA-C-O 120.16 -0.244 . . . . 0.0 113.203 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 49.0 t -87.85 108.4 18.42 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.5 m -107.03 132.98 52.35 Favored 'General case' 0 C--N 1.289 -2.064 0 C-N-CA 120.396 -0.522 . . . . 0.0 111.309 -177.347 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -137.68 132.7 33.29 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.522 176.073 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.557 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 51.4 m -89.99 142.17 27.96 Favored 'General case' 0 CA--C 1.486 -1.513 0 CA-C-O 121.774 0.797 . . . . 0.0 112.273 177.364 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.2 p -132.02 141.05 46.47 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.356 0 N-CA-C 105.904 -1.887 . . . . 0.0 105.904 176.413 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 57.7 m -102.51 131.64 49.09 Favored 'General case' 0 C--N 1.291 -1.952 0 C-N-CA 119.784 -0.767 . . . . 0.0 111.527 -177.49 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -126.88 107.07 9.77 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-N 114.498 -1.228 . . . . 0.0 107.904 179.113 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.5 tpt180 51.06 52.85 14.12 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.051 0.94 . . . . 0.0 111.199 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.24 -14.52 33.43 Favored Glycine 0 C--N 1.314 -0.673 0 CA-C-N 115.31 -0.859 . . . . 0.0 113.491 176.702 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.1 t -96.45 109.93 23.78 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.064 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 56.6 m -95.88 121.45 37.62 Favored 'General case' 0 C--N 1.285 -2.235 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 179.054 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -125.34 137.72 54.05 Favored 'General case' 0 C--N 1.296 -1.741 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.207 -177.396 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.557 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 27.5 m -90.56 130.45 36.59 Favored 'General case' 0 CA--C 1.479 -1.756 0 CA-C-O 122.568 1.175 . . . . 0.0 111.688 174.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 62.1 t -101.07 126.1 54.89 Favored 'Isoleucine or valine' 0 C--N 1.262 -3.239 0 N-CA-C 104.872 -2.27 . . . . 0.0 104.872 176.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 81.6 m -112.61 130.11 56.14 Favored 'General case' 0 C--N 1.283 -2.292 0 C-N-CA 119.933 -0.707 . . . . 0.0 111.248 -177.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -121.35 98.33 5.93 Favored 'General case' 0 C--N 1.283 -2.296 0 CA-C-N 114.594 -1.184 . . . . 0.0 109.992 178.302 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.8 ttt180 . . . . . 0 CA--C 1.545 0.775 0 C-N-CA 124.597 1.159 . . . . 0.0 111.502 178.568 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.425 0 N-CA-C 112.27 -0.332 . . . . 0.0 112.27 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 41.0 t -106.0 135.79 42.88 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.232 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 -178.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 94.5 m -118.15 135.98 53.89 Favored 'General case' 0 C--N 1.284 -2.241 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.0 178.435 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -129.39 138.66 51.63 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.007 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 57.4 m -116.41 126.66 53.76 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-O 121.724 0.774 . . . . 0.0 109.89 178.426 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.0 t -117.91 116.75 52.62 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.116 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.978 -176.086 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.538 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 12.3 m -79.89 129.09 34.21 Favored 'General case' 0 CA--C 1.492 -1.279 0 CA-C-O 122.23 1.014 . . . . 0.0 113.044 176.832 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -130.81 111.81 12.46 Favored 'General case' 0 C--N 1.284 -2.277 0 CA-C-N 113.322 -1.763 . . . . 0.0 106.901 174.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.9 tpt180 60.85 37.29 18.65 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-O 122.752 1.263 . . . . 0.0 109.276 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.89 -11.12 60.69 Favored Glycine 0 N--CA 1.444 -0.792 0 CA-C-N 114.173 -1.376 . . . . 0.0 113.313 179.351 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 60.2 t -97.32 109.89 24.15 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.332 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -178.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.538 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 5.6 m -80.12 121.98 26.24 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-O 121.888 0.851 . . . . 0.0 111.017 175.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 82.3 mtt180 -102.84 118.35 36.64 Favored 'General case' 0 C--N 1.282 -2.363 0 N-CA-C 106.852 -1.536 . . . . 0.0 106.852 177.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 57.9 m -96.7 129.85 44.03 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-O 122.0 0.905 . . . . 0.0 110.896 -178.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.5 t -118.62 128.14 75.55 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.29 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 95.0 m -115.22 134.64 54.96 Favored 'General case' 0 C--N 1.289 -2.053 0 C-N-CA 120.524 -0.47 . . . . 0.0 110.777 178.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -160.9 141.31 11.27 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.413 178.391 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 . . . . . 0 CA--C 1.545 0.757 0 CA-C-O 122.193 0.997 . . . . 0.0 110.564 176.771 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 61.8 t . . . . . 0 N--CA 1.443 -0.813 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 77.1 m -107.63 122.44 46.7 Favored 'General case' 0 C--N 1.291 -1.969 0 C-N-CA 120.199 -0.601 . . . . 0.0 110.204 179.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -106.97 138.89 42.27 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 177.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 72.9 m -120.38 126.3 50.14 Favored 'General case' 0 C--N 1.292 -1.912 0 CA-C-O 121.75 0.786 . . . . 0.0 110.969 177.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.5 t -103.4 116.22 46.77 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.54 0 N-CA-C 107.111 -1.44 . . . . 0.0 107.111 178.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 75.5 m -104.3 128.27 52.07 Favored 'General case' 0 C--N 1.288 -2.084 0 C-N-CA 119.996 -0.682 . . . . 0.0 111.08 -178.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -144.98 125.83 14.37 Favored 'General case' 0 C--N 1.289 -2.039 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.108 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 63.02 28.62 16.28 Favored 'General case' 0 CA--C 1.558 1.263 0 CA-C-O 122.286 1.041 . . . . 0.0 110.443 175.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.02 -7.41 71.0 Favored Glycine 0 CA--C 1.525 0.701 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.871 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 60.7 t -98.08 124.76 51.31 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.058 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.8 m -107.6 120.33 41.92 Favored 'General case' 0 C--N 1.296 -1.744 0 CA-C-O 121.864 0.84 . . . . 0.0 111.18 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -99.35 110.66 23.14 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 63.2 m -100.66 133.58 44.91 Favored 'General case' 0 C--N 1.285 -2.199 0 CA-C-O 121.839 0.828 . . . . 0.0 110.844 -178.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 58.0 t -121.86 117.46 52.51 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.331 0 CA-C-N 114.38 -1.282 . . . . 0.0 107.69 -178.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 70.7 m -97.94 133.21 42.74 Favored 'General case' 0 C--N 1.292 -1.912 0 CA-C-O 121.422 0.63 . . . . 0.0 110.567 178.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.7 tpt180 . . . . . 0 C--N 1.294 -1.829 0 CA-C-N 114.888 -1.051 . . . . 0.0 109.518 -178.283 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 43.6 t . . . . . 0 C--O 1.249 1.044 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.0 m -102.63 140.51 36.82 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-O 121.397 0.618 . . . . 0.0 112.185 -177.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.2 ptt180 -131.33 127.03 36.81 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.37 175.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 79.8 m -101.3 144.09 30.56 Favored 'General case' 0 C--N 1.288 -2.068 0 CA-C-O 120.954 0.407 . . . . 0.0 111.008 178.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.6 t -131.51 124.96 55.53 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.317 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 177.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 77.1 m -106.97 136.6 46.55 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-O 121.076 0.465 . . . . 0.0 111.573 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 51.5 ttp180 -139.63 109.17 6.21 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.047 177.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 45.5 ttt180 47.62 53.54 11.03 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.626 1.57 . . . . 0.0 112.518 176.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.2 -19.8 47.41 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.442 -0.799 . . . . 0.0 113.707 176.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 46.1 t -100.9 114.47 40.05 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 -178.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 83.0 m -106.78 121.82 45.15 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-O 121.385 0.612 . . . . 0.0 110.769 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.425 ' HA ' ' HE ' ' A' ' 13' ' ' ARG . 1.9 tpm_? -110.35 121.28 44.91 Favored 'General case' 0 C--N 1.294 -1.845 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 -179.46 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 59.8 m -102.75 125.88 49.65 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-O 121.719 0.771 . . . . 0.0 110.573 177.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.9 t -103.66 116.75 47.99 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.359 0 CA-C-N 114.071 -1.422 . . . . 0.0 107.479 -178.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 75.2 m -109.07 134.98 50.97 Favored 'General case' 0 C--N 1.284 -2.269 0 CA-C-O 121.179 0.514 . . . . 0.0 110.91 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 . . . . . 0 C--N 1.3 -1.576 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.734 177.175 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 58.0 t . . . . . 0 N--CA 1.444 -0.73 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.501 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 72.8 m -93.66 121.38 35.03 Favored 'General case' 0 C--N 1.294 -1.809 0 C-N-CA 119.571 -0.851 . . . . 0.0 109.295 178.013 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -118.79 125.67 50.13 Favored 'General case' 0 N--CA 1.427 -1.591 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.054 -173.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.47 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 52.6 m -101.09 137.63 39.2 Favored 'General case' 0 C--N 1.291 -1.949 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.513 177.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.2 p -128.44 134.33 64.95 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.358 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 86.2 m -104.35 128.14 52.13 Favored 'General case' 0 N--CA 1.411 -2.4 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 177.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -134.62 122.02 21.71 Favored 'General case' 0 C--N 1.282 -2.338 0 CA-C-N 115.294 -0.866 . . . . 0.0 108.674 -177.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.8 tpm_? 60.02 29.91 19.44 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-O 122.233 1.016 . . . . 0.0 110.604 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.85 -18.87 51.81 Favored Glycine 0 N--CA 1.44 -1.1 0 CA-C-N 115.367 -0.833 . . . . 0.0 113.2 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 57.7 t -92.3 135.81 26.39 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 -178.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 61.8 m -113.1 129.64 56.44 Favored 'General case' 0 C--N 1.303 -1.444 0 C-N-CA 120.057 -0.657 . . . . 0.0 111.007 -177.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 71.3 mtt180 -129.02 139.08 52.21 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.979 -177.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.47 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 38.1 m -111.8 130.59 55.76 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.74 0.781 . . . . 0.0 111.224 -179.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 98.7 t -123.43 128.52 74.74 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.889 0 CA-C-N 114.288 -1.324 . . . . 0.0 107.66 -178.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.501 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 64.2 m -92.58 126.92 37.88 Favored 'General case' 0 C--N 1.302 -1.487 0 C-N-CA 120.219 -0.593 . . . . 0.0 110.513 177.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.4 tpm_? . . . . . 0 N--CA 1.424 -1.765 0 CA-C-N 114.845 -1.071 . . . . 0.0 109.188 -173.817 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 99.4 t . . . . . 0 N--CA 1.45 -0.464 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 89.6 m -109.12 128.57 55.12 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-O 120.949 0.404 . . . . 0.0 110.285 178.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -129.76 138.36 51.04 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 38.0 m -111.13 139.17 46.73 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-O 121.395 0.617 . . . . 0.0 111.877 -175.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 39.5 t -115.92 127.15 73.6 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.295 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 77.8 m -99.13 127.66 45.13 Favored 'General case' 0 C--N 1.297 -1.717 0 C-N-CA 119.775 -0.77 . . . . 0.0 110.303 176.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -133.2 107.62 8.28 Favored 'General case' 0 N--CA 1.416 -2.174 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.195 -175.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 57.95 42.14 23.33 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.091 174.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.46 -16.42 60.01 Favored Glycine 0 N--CA 1.446 -0.635 0 CA-C-N 115.433 -0.803 . . . . 0.0 113.583 178.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.7 t -103.66 121.37 55.02 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.058 0 CA-C-N 117.691 0.746 . . . . 0.0 109.378 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 78.6 m -98.1 121.94 40.63 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 121.257 0.551 . . . . 0.0 110.434 179.075 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.4 tpp180 -113.39 137.07 52.05 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 -178.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.8 m -108.78 134.47 51.43 Favored 'General case' 0 C--N 1.302 -1.5 0 C-N-CA 119.876 -0.73 . . . . 0.0 111.926 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 74.5 t -120.28 130.89 73.85 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 CA-C-N 114.655 -1.157 . . . . 0.0 108.259 -178.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 63.1 m -115.5 135.98 53.55 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 120.769 -0.373 . . . . 0.0 111.046 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 . . . . . 0 C--N 1.308 -1.229 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.007 177.013 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 49.1 t . . . . . 0 N--CA 1.446 -0.656 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 77.0 m -106.61 124.17 49.2 Favored 'General case' 0 C--N 1.292 -1.925 0 C-N-CA 120.252 -0.579 . . . . 0.0 109.798 176.042 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 20.7 tpp180 -122.21 124.22 43.31 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.447 -178.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 84.6 m -104.43 134.06 48.27 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 172.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.3 t -117.95 119.87 62.83 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.562 0 N-CA-C 106.638 -1.616 . . . . 0.0 106.638 176.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 68.9 m -104.21 130.29 51.98 Favored 'General case' 0 C--N 1.29 -2.002 0 C-N-CA 120.109 -0.636 . . . . 0.0 112.062 -177.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -136.63 111.29 8.68 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-N 114.931 -1.031 . . . . 0.0 109.652 177.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.0 tpm_? 59.93 39.96 19.61 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-O 122.67 1.224 . . . . 0.0 110.695 176.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.98 -7.68 73.72 Favored Glycine 0 N--CA 1.439 -1.114 0 CA-C-N 114.832 -1.077 . . . . 0.0 112.554 177.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 46.8 t -97.19 113.23 31.03 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.139 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 178.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 80.3 m -102.95 121.9 43.49 Favored 'General case' 0 C--N 1.287 -2.131 0 CA-C-O 121.463 0.649 . . . . 0.0 111.129 -178.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.44 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 38.0 mmt180 -97.91 118.63 34.93 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 177.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 61.0 m -115.3 126.63 54.71 Favored 'General case' 0 C--N 1.299 -1.587 0 CA-C-O 121.263 0.554 . . . . 0.0 110.524 -179.136 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 72.7 t -127.13 122.89 61.06 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.327 0 CA-C-N 114.889 -1.051 . . . . 0.0 109.302 -177.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 86.3 m -98.09 129.42 44.92 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 174.141 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 . . . . . 0 C--N 1.292 -1.928 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.282 -179.441 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 41.3 t . . . . . 0 C--O 1.217 -0.629 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 96.2 m -106.42 123.01 47.43 Favored 'General case' 0 C--N 1.302 -1.457 0 C-N-CA 120.25 -0.58 . . . . 0.0 110.548 176.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -112.02 120.79 43.06 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 177.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 59.5 m -107.23 141.81 37.96 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-O 121.42 0.629 . . . . 0.0 111.765 -176.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.3 p -134.06 136.92 52.96 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.399 0 CA-C-N 115.027 -0.988 . . . . 0.0 108.948 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 64.6 m -112.91 133.86 54.69 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-O 121.049 0.452 . . . . 0.0 110.698 -179.076 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 51.1 ttp180 -140.11 123.55 17.06 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.195 177.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 62.08 28.04 16.93 Favored 'General case' 0 CA--C 1.556 1.179 0 CA-C-O 122.213 1.006 . . . . 0.0 110.485 176.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.77 -7.55 80.75 Favored Glycine 0 C--N 1.316 -0.528 0 CA-C-N 115.76 -0.654 . . . . 0.0 112.394 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 44.7 t -96.59 122.87 48.53 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.06 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 77.0 m -109.23 121.76 45.85 Favored 'General case' 0 C--N 1.291 -1.973 0 C-N-CA 120.149 -0.62 . . . . 0.0 110.261 -178.518 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.1 ttp85 -113.7 137.7 51.25 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 178.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 67.5 m -109.13 134.71 51.36 Favored 'General case' 0 C--N 1.29 -2.007 0 CA-C-O 121.608 0.718 . . . . 0.0 110.611 177.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.8 t -102.23 116.19 45.45 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.534 0 N-CA-C 105.825 -1.917 . . . . 0.0 105.825 177.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 95.4 m -111.18 127.17 55.5 Favored 'General case' 0 C--N 1.28 -2.453 0 C-N-CA 120.088 -0.645 . . . . 0.0 110.706 -178.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 . . . . . 0 C--N 1.287 -2.139 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.289 -177.827 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 99.0 t . . . . . 0 N--CA 1.435 -1.193 0 CA-C-O 120.834 0.35 . . . . 0.0 110.438 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 98.9 m -101.63 121.03 41.26 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-O 121.347 0.594 . . . . 0.0 109.491 174.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -106.31 115.21 29.82 Favored 'General case' 0 C--N 1.29 -1.993 0 CA-C-N 114.984 -1.007 . . . . 0.0 108.661 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 63.4 m -111.53 129.52 56.03 Favored 'General case' 0 C--N 1.285 -2.202 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 176.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.1 p -135.49 139.83 45.83 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.656 0 CA-C-N 115.207 -0.906 . . . . 0.0 108.64 -177.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.478 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 61.0 m -107.53 136.46 47.26 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-O 121.069 0.461 . . . . 0.0 110.874 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -141.16 116.31 9.94 Favored 'General case' 0 N--CA 1.425 -1.695 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.415 178.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 32.9 ttm180 59.33 39.01 22.83 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.924 -1.034 . . . . 0.0 110.46 176.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.84 -17.53 52.43 Favored Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 115.18 -0.918 . . . . 0.0 112.786 178.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 45.0 t -94.72 112.2 26.86 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 -177.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.478 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 68.6 m -93.95 134.39 36.39 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 176.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 -133.13 137.96 46.48 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.548 -177.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 79.0 m -114.03 136.58 52.76 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-O 121.594 0.711 . . . . 0.0 110.755 178.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.5 t -118.82 116.41 51.06 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.204 0 N-CA-C 106.509 -1.663 . . . . 0.0 106.509 176.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 92.4 m -102.29 127.28 49.34 Favored 'General case' 0 C--N 1.288 -2.074 0 CA-C-O 121.455 0.645 . . . . 0.0 110.538 178.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 26.4 tpt180 . . . . . 0 N--CA 1.417 -2.1 0 CA-C-N 115.03 -0.986 . . . . 0.0 109.292 -176.535 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 48.2 t . . . . . 0 N--CA 1.439 -0.976 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 96.1 m -99.36 122.18 42.14 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 176.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -133.46 137.88 45.92 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 -178.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.493 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 34.4 m -98.89 135.99 39.53 Favored 'General case' 0 C--N 1.305 -1.348 0 CA-C-O 121.38 0.609 . . . . 0.0 110.955 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.3 t -126.09 138.72 53.69 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.377 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 -177.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 69.3 m -109.76 124.0 50.51 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-O 121.336 0.589 . . . . 0.0 110.874 178.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -131.31 113.51 13.88 Favored 'General case' 0 C--N 1.293 -1.862 0 CA-C-N 114.861 -1.063 . . . . 0.0 108.993 -177.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 55.77 43.94 26.98 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-O 122.458 1.123 . . . . 0.0 111.039 177.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.29 -9.41 61.25 Favored Glycine 0 N--CA 1.441 -1.026 0 CA-C-N 115.039 -0.982 . . . . 0.0 113.371 177.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 70.5 t -99.08 113.0 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.361 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 179.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 71.6 m -96.47 121.3 38.13 Favored 'General case' 0 C--N 1.284 -2.277 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 177.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -124.06 139.23 54.15 Favored 'General case' 0 C--N 1.292 -1.933 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.089 -176.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.493 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 52.6 m -101.61 125.49 48.28 Favored 'General case' 0 N--CA 1.423 -1.796 0 CA-C-O 122.212 1.006 . . . . 0.0 110.598 179.449 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 39.8 t -110.22 122.09 64.18 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.547 0 CA-C-N 114.148 -1.387 . . . . 0.0 108.728 -174.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 72.1 m -105.73 127.52 53.13 Favored 'General case' 0 C--N 1.291 -1.941 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.048 177.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.6 ttp180 . . . . . 0 C--N 1.288 -2.097 0 CA-C-N 115.355 -0.838 . . . . 0.0 110.263 -178.865 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 56.9 t . . . . . 0 N--CA 1.449 -0.483 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 83.6 m -92.99 127.03 38.36 Favored 'General case' 0 C--N 1.297 -1.683 0 CA-C-O 121.377 0.608 . . . . 0.0 112.022 -176.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -128.29 135.39 49.57 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 59.3 m -98.2 146.23 25.82 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 -173.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.4 p -142.1 140.81 29.42 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 178.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.453 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 58.2 m -108.56 129.8 55.3 Favored 'General case' 0 C--N 1.298 -1.67 0 C-N-CA 120.246 -0.582 . . . . 0.0 110.423 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -133.8 116.93 16.29 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-N 114.89 -1.05 . . . . 0.0 109.802 -176.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 61.18 34.11 19.01 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.614 1.166 . . . . 0.0 110.633 175.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.15 -1.08 87.66 Favored Glycine 0 N--CA 1.45 -0.415 0 CA-C-N 115.182 -0.917 . . . . 0.0 112.885 178.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.6 t -111.55 120.74 62.73 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.972 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 179.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.453 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 84.3 m -92.93 124.07 36.64 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-O 121.08 0.466 . . . . 0.0 110.52 -179.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 -124.19 139.09 54.26 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 115.371 -0.831 . . . . 0.0 108.869 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 30.6 m -106.58 125.25 50.77 Favored 'General case' 0 C--N 1.287 -2.132 0 C-N-CA 119.028 -1.069 . . . . 0.0 110.209 177.151 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.4 t -101.43 132.9 46.35 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.315 0 CA-C-N 114.129 -1.396 . . . . 0.0 107.322 -176.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.6 m -106.49 128.41 54.06 Favored 'General case' 0 N--CA 1.414 -2.256 0 CA-C-O 122.11 0.957 . . . . 0.0 111.24 -177.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 . . . . . 0 C--N 1.289 -2.033 0 CA-C-N 113.729 -1.578 . . . . 0.0 108.938 -174.223 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 62.0 t . . . . . 0 N--CA 1.448 -0.549 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.3 m -110.36 133.47 53.23 Favored 'General case' 0 C--N 1.296 -1.751 0 C-N-CA 120.469 -0.493 . . . . 0.0 111.904 -176.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -118.69 125.45 49.71 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 176.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 55.7 m -110.8 136.69 49.48 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 120.887 0.375 . . . . 0.0 110.922 -176.486 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.2 t -136.12 139.25 46.06 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 177.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 62.9 m -104.14 135.92 44.73 Favored 'General case' 0 C--N 1.302 -1.467 0 CA-C-O 121.033 0.444 . . . . 0.0 110.483 -179.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 23.5 tpt180 -134.52 112.79 11.17 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.038 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.441 ' HA ' ' HE ' ' A' ' 9' ' ' ARG . 2.1 tpm_? 59.24 37.18 23.83 Favored 'General case' 0 CA--C 1.557 1.249 0 CA-C-O 121.915 0.864 . . . . 0.0 111.212 174.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.95 -14.32 64.63 Favored Glycine 0 C--N 1.318 -0.464 0 CA-C-N 115.897 -0.592 . . . . 0.0 113.056 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.9 t -95.77 115.54 35.17 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.913 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 73.9 m -95.7 125.71 40.47 Favored 'General case' 0 C--N 1.294 -1.843 0 C-N-CA 119.784 -0.766 . . . . 0.0 109.363 176.569 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 59.5 ttp85 -128.4 136.95 51.59 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.685 -176.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 38.9 m -113.24 131.97 55.7 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 121.412 0.625 . . . . 0.0 111.165 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.2 t -99.23 116.99 43.69 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.123 0 N-CA-C 106.262 -1.755 . . . . 0.0 106.262 177.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.6 m -107.22 134.98 49.51 Favored 'General case' 0 C--N 1.294 -1.827 0 C-N-CA 120.073 -0.651 . . . . 0.0 111.142 -178.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 . . . . . 0 C--N 1.295 -1.763 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.464 178.819 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 43.0 t . . . . . 0 N--CA 1.433 -1.28 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 73.6 m -103.47 121.48 42.92 Favored 'General case' 0 C--N 1.282 -2.351 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.671 178.702 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -113.66 134.14 54.91 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 177.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.46 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 36.1 m -102.51 121.83 43.14 Favored 'General case' 0 N--CA 1.417 -2.119 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 174.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.8 t -98.91 123.95 51.84 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.606 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 -177.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 60.3 m -102.04 137.1 40.77 Favored 'General case' 0 C--N 1.287 -2.128 0 C-N-CA 119.862 -0.735 . . . . 0.0 111.673 -176.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.7 ttm-85 -134.73 113.1 11.31 Favored 'General case' 0 C--N 1.292 -1.904 0 CA-C-N 114.217 -1.356 . . . . 0.0 108.681 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 54.85 36.75 27.28 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.581 1.152 . . . . 0.0 111.474 178.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.88 -1.47 85.18 Favored Glycine 0 CA--C 1.522 0.505 0 C-N-CA 120.851 -0.69 . . . . 0.0 113.72 177.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.1 t -108.48 129.48 62.82 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 177.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 54.3 m -113.24 129.11 56.61 Favored 'General case' 0 C--N 1.3 -1.553 0 C-N-CA 119.421 -0.912 . . . . 0.0 112.631 -175.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -105.19 127.93 53.16 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 177.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.46 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 50.7 m -101.44 126.19 48.19 Favored 'General case' 0 C--N 1.307 -1.258 0 C-N-CA 119.361 -0.936 . . . . 0.0 111.487 -179.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.6 t -119.14 135.58 59.07 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.994 0 CA-C-N 114.341 -1.3 . . . . 0.0 107.771 -177.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 85.3 m -113.59 132.57 55.68 Favored 'General case' 0 C--N 1.302 -1.492 0 C-N-CA 120.212 -0.595 . . . . 0.0 111.725 -178.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 . . . . . 0 C--N 1.296 -1.742 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.788 179.323 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 39.0 t . . . . . 0 N--CA 1.445 -0.683 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 75.6 m -107.64 139.2 42.55 Favored 'General case' 0 C--N 1.294 -1.829 0 C-N-CA 120.962 -0.295 . . . . 0.0 110.277 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 58.5 mtm180 -131.66 138.84 48.91 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 177.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 70.0 m -103.93 133.83 48.24 Favored 'General case' 0 C--N 1.3 -1.545 0 CA-C-O 121.863 0.84 . . . . 0.0 112.194 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.8 t -107.47 116.44 51.02 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.208 0 N-CA-C 106.434 -1.691 . . . . 0.0 106.434 178.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 71.7 m -103.93 131.57 51.04 Favored 'General case' 0 C--N 1.291 -1.948 0 CA-C-O 121.402 0.62 . . . . 0.0 110.942 -179.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -136.04 102.61 5.08 Favored 'General case' 0 C--N 1.287 -2.109 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.376 -178.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 54.58 46.42 24.86 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.202 1.001 . . . . 0.0 111.186 176.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.96 -19.8 46.66 Favored Glycine 0 C--N 1.312 -0.795 0 CA-C-N 115.407 -0.815 . . . . 0.0 113.477 178.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 55.6 t -92.34 112.46 25.91 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.191 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.3 m -103.71 121.42 42.95 Favored 'General case' 0 C--N 1.292 -1.931 0 CA-C-O 121.876 0.846 . . . . 0.0 110.267 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -115.76 124.59 51.16 Favored 'General case' 0 C--N 1.292 -1.93 0 N-CA-C 107.837 -1.171 . . . . 0.0 107.837 -179.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 22.5 m -109.01 134.77 51.21 Favored 'General case' 0 C--N 1.291 -1.946 0 CA-C-O 121.328 0.585 . . . . 0.0 110.912 -174.502 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 47.5 t -117.41 137.76 50.29 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 -179.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 76.3 m -115.05 146.08 41.64 Favored 'General case' 0 C--N 1.294 -1.833 0 C-N-CA 120.427 -0.509 . . . . 0.0 111.417 -178.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.8 ttp180 . . . . . 0 N--CA 1.429 -1.491 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.707 172.815 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 42.1 t . . . . . 0 N--CA 1.447 -0.602 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 81.4 m -102.82 133.58 47.66 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-O 121.051 0.453 . . . . 0.0 110.676 179.526 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 29.1 ttm180 -127.34 138.23 52.98 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 60.8 m -108.93 129.59 55.43 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-O 121.827 0.823 . . . . 0.0 110.67 177.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.2 t -105.75 117.1 50.87 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.256 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 75.0 m -109.54 131.01 55.46 Favored 'General case' 0 C--N 1.293 -1.89 0 CA-C-O 121.381 0.61 . . . . 0.0 111.594 -177.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.7 tpt180 -140.86 115.63 9.64 Favored 'General case' 0 C--N 1.297 -1.715 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.926 179.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 56.0 ttp180 58.71 34.48 23.81 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.553 1.141 . . . . 0.0 110.338 177.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.68 -19.21 49.51 Favored Glycine 0 N--CA 1.443 -0.89 0 CA-C-N 115.244 -0.889 . . . . 0.0 112.9 179.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 68.0 t -84.04 111.52 20.08 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 179.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 86.7 m -102.49 129.35 48.99 Favored 'General case' 0 C--N 1.287 -2.124 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.471 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 -118.87 116.56 26.75 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 107.81 -1.182 . . . . 0.0 107.81 178.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 58.9 m -95.78 133.17 40.21 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-O 121.662 0.744 . . . . 0.0 111.095 179.271 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.1 t -124.62 137.08 58.58 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.92 0 CA-C-N 114.447 -1.252 . . . . 0.0 107.726 -176.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 75.4 m -118.38 128.99 55.17 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 120.344 -0.542 . . . . 0.0 110.658 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.6 ptt180 . . . . . 0 C--N 1.299 -1.626 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.704 -179.982 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 50.8 t . . . . . 0 C--O 1.223 -0.313 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 77.2 m -108.48 121.74 45.59 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-O 120.997 0.427 . . . . 0.0 110.996 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -115.38 138.97 50.43 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 177.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 38.7 m -114.06 122.04 45.66 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-O 121.812 0.815 . . . . 0.0 110.257 179.405 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 43.5 t -104.69 128.51 58.27 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.665 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 -176.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 56.9 m -107.47 135.08 49.55 Favored 'General case' 0 C--N 1.289 -2.036 0 CA-C-O 121.402 0.62 . . . . 0.0 111.346 -176.145 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 36.9 ttt180 -126.71 107.39 10.13 Favored 'General case' 0 C--N 1.291 -1.941 0 CA-C-N 114.65 -1.159 . . . . 0.0 108.425 179.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 57.41 40.19 27.6 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-O 122.296 1.046 . . . . 0.0 110.13 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.83 -14.94 55.2 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 114.95 -1.023 . . . . 0.0 113.479 178.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 44.6 t -88.53 115.48 28.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 64.1 m -103.15 127.91 50.28 Favored 'General case' 0 C--N 1.285 -2.218 0 C-N-CA 120.198 -0.601 . . . . 0.0 112.124 -175.496 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.2 ptp180 -114.65 138.67 50.4 Favored 'General case' 0 C--N 1.311 -1.082 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 173.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 59.6 m -106.59 137.82 43.91 Favored 'General case' 0 C--N 1.294 -1.812 0 CA-C-O 121.474 0.654 . . . . 0.0 111.107 -178.158 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 58.2 t -120.13 116.87 51.66 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.849 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 73.4 m -99.34 127.28 45.34 Favored 'General case' 0 C--N 1.29 -1.999 0 CA-C-O 121.418 0.628 . . . . 0.0 110.161 177.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.3 tpt180 . . . . . 0 C--N 1.293 -1.862 0 CA-C-N 114.789 -1.096 . . . . 0.0 110.428 -178.412 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 59.7 t . . . . . 0 N--CA 1.441 -0.892 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 84.6 m -110.6 125.1 53.04 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-O 121.399 0.618 . . . . 0.0 110.316 179.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -113.74 113.21 24.66 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 57.2 m -104.57 138.92 40.2 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 177.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.2 p -134.64 140.67 45.2 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.403 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 -179.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 71.8 m -101.71 127.79 48.32 Favored 'General case' 0 N--CA 1.432 -1.338 0 CA-C-O 122.242 1.02 . . . . 0.0 112.467 -179.27 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.0 tpt180 -121.6 92.54 3.77 Favored 'General case' 0 C--N 1.292 -1.933 0 CA-C-N 113.903 -1.499 . . . . 0.0 108.918 -178.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 54.15 52.66 12.29 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 123.937 0.895 . . . . 0.0 111.397 174.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.61 -19.71 46.19 Favored Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 115.435 -0.802 . . . . 0.0 113.142 178.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 51.7 t -97.69 109.46 23.54 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.068 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 60.1 m -98.24 121.6 40.37 Favored 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.147 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.4 ptt180 -114.47 137.25 52.08 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.985 -176.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 85.0 m -111.57 133.35 53.9 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 121.803 0.811 . . . . 0.0 111.237 -179.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 84.9 t -118.45 127.82 75.47 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.368 0 N-CA-C 107.019 -1.475 . . . . 0.0 107.019 178.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.5 m -119.79 135.06 55.01 Favored 'General case' 0 C--N 1.295 -1.782 0 C-N-CA 120.247 -0.581 . . . . 0.0 111.287 -177.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 . . . . . 0 C--N 1.304 -1.37 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.152 177.333 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.1 t . . . . . 0 N--CA 1.432 -1.336 0 CA-C-O 121.215 0.531 . . . . 0.0 110.072 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 96.3 m -103.98 124.71 49.51 Favored 'General case' 0 N--CA 1.423 -1.823 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.339 177.238 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 63.0 mtm180 -112.01 118.67 36.08 Favored 'General case' 0 C--N 1.292 -1.894 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 174.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 69.2 m -108.88 141.35 41.06 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.565 -179.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.1 p -135.75 138.65 47.54 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.025 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 178.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 80.8 m -113.91 142.7 45.8 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-O 121.082 0.467 . . . . 0.0 111.332 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 52.7 ttp180 -142.99 105.13 4.41 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.923 174.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.5 ttt180 59.16 42.85 18.06 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-O 122.328 1.061 . . . . 0.0 111.133 173.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.69 -14.05 65.09 Favored Glycine 0 N--CA 1.444 -0.772 0 CA-C-N 115.042 -0.981 . . . . 0.0 113.014 178.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 46.5 t -94.82 109.96 23.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 179.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 73.5 m -108.17 125.16 51.3 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-O 121.093 0.473 . . . . 0.0 110.496 -177.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 63.5 mtm180 -119.17 136.24 54.28 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.738 -178.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 68.2 m -120.6 139.4 53.03 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-O 121.041 0.448 . . . . 0.0 110.435 178.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.2 t -116.43 116.5 52.46 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.127 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 174.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 85.0 m -108.83 133.68 52.55 Favored 'General case' 0 C--N 1.293 -1.849 0 CA-C-O 120.958 0.408 . . . . 0.0 111.299 -179.021 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 50.4 ttp180 . . . . . 0 C--N 1.3 -1.557 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.551 176.775 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 38.9 t . . . . . 0 CA--C 1.497 -1.069 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.481 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 57.3 m -98.23 120.87 39.4 Favored 'General case' 0 C--N 1.286 -2.19 0 C-N-CA 118.778 -1.169 . . . . 0.0 108.732 175.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.448 ' HA ' ' NE ' ' A' ' 4' ' ' ARG . 1.0 OUTLIER -121.93 139.8 53.21 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 106.435 -1.691 . . . . 0.0 106.435 -174.289 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 8.4 m -108.66 135.95 49.05 Favored 'General case' 0 C--N 1.288 -2.071 0 C-N-CA 119.298 -0.961 . . . . 0.0 111.908 -173.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.7 m -105.55 140.44 23.61 Favored 'Isoleucine or valine' 0 N--CA 1.405 -2.717 0 CA-C-N 114.987 -1.006 . . . . 0.0 108.349 178.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 59.3 m -109.9 126.38 53.8 Favored 'General case' 0 C--N 1.288 -2.099 0 C-N-CA 119.952 -0.699 . . . . 0.0 110.612 -178.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.6 tpt180 -126.44 112.2 15.33 Favored 'General case' 0 C--N 1.286 -2.179 0 CA-C-N 114.827 -1.079 . . . . 0.0 108.309 -176.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 59.22 41.65 19.82 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-O 122.563 1.173 . . . . 0.0 110.688 177.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.97 -7.01 64.34 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 114.997 -1.001 . . . . 0.0 113.855 178.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 49.1 t -103.71 125.29 58.34 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 65.0 m -102.48 122.93 45.31 Favored 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 120.622 -0.431 . . . . 0.0 111.347 -177.497 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -119.51 139.61 51.82 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.329 -0.851 . . . . 0.0 109.135 -178.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 59.4 m -102.08 139.18 38.05 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 113.569 0.952 . . . . 0.0 113.569 -173.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.6 t -126.55 140.4 48.98 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.042 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 -179.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.481 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 61.2 m -103.46 127.2 50.89 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-O 121.596 0.712 . . . . 0.0 111.076 -179.66 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.452 ' HA ' ' HE ' ' A' ' 17' ' ' ARG . 1.3 tpm_? . . . . . 0 C--N 1.303 -1.423 0 CA-C-N 114.679 -1.146 . . . . 0.0 109.291 -172.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 43.9 t . . . . . 0 N--CA 1.443 -0.799 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 89.5 m -103.47 121.59 43.14 Favored 'General case' 0 C--N 1.289 -2.046 0 CA-C-O 121.268 0.556 . . . . 0.0 110.537 -179.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 20.9 tpp180 -102.97 112.43 25.25 Favored 'General case' 0 C--N 1.293 -1.891 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 70.6 m -107.61 132.4 53.34 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-O 121.271 0.558 . . . . 0.0 109.956 178.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.6 t -124.57 132.25 71.59 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.22 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 -179.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 79.7 m -110.14 133.45 53.2 Favored 'General case' 0 C--N 1.297 -1.699 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.229 179.055 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -143.44 120.63 11.5 Favored 'General case' 0 C--N 1.294 -1.822 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.455 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 66.3 ttt180 63.23 29.98 15.88 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-O 122.146 0.974 . . . . 0.0 110.193 174.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.63 -3.22 87.21 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.431 -0.804 . . . . 0.0 112.189 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 81.8 t -101.22 115.01 42.13 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.117 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 73.9 m -101.91 125.56 48.61 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 121.167 0.508 . . . . 0.0 110.971 179.539 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -120.56 139.08 53.45 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 -178.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 64.1 m -123.85 140.9 52.53 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-O 121.126 0.488 . . . . 0.0 111.177 -178.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.8 p -125.47 124.85 67.8 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.767 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 175.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.1 m -108.26 133.84 51.92 Favored 'General case' 0 C--N 1.298 -1.669 0 C-N-CA 120.239 -0.584 . . . . 0.0 112.382 -176.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 25.8 tpt180 . . . . . 0 C--N 1.303 -1.449 0 CA-C-N 115.041 -0.982 . . . . 0.0 110.437 176.968 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 49.0 t . . . . . 0 C--O 1.217 -0.606 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.5 m -107.03 132.98 52.35 Favored 'General case' 0 C--N 1.289 -2.064 0 C-N-CA 120.396 -0.522 . . . . 0.0 111.309 -177.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -137.68 132.7 33.29 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.522 176.073 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.557 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 51.4 m -89.99 142.17 27.96 Favored 'General case' 0 CA--C 1.486 -1.513 0 CA-C-O 121.774 0.797 . . . . 0.0 112.273 177.364 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.2 p -132.02 141.05 46.47 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.356 0 N-CA-C 105.904 -1.887 . . . . 0.0 105.904 176.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 57.7 m -102.51 131.64 49.09 Favored 'General case' 0 C--N 1.291 -1.952 0 C-N-CA 119.784 -0.767 . . . . 0.0 111.527 -177.49 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -126.88 107.07 9.77 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-N 114.498 -1.228 . . . . 0.0 107.904 179.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.5 tpt180 51.06 52.85 14.12 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.051 0.94 . . . . 0.0 111.199 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.24 -14.52 33.43 Favored Glycine 0 C--N 1.314 -0.673 0 CA-C-N 115.31 -0.859 . . . . 0.0 113.491 176.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.1 t -96.45 109.93 23.78 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.064 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 56.6 m -95.88 121.45 37.62 Favored 'General case' 0 C--N 1.285 -2.235 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 179.054 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -125.34 137.72 54.05 Favored 'General case' 0 C--N 1.296 -1.741 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.207 -177.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.557 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 27.5 m -90.56 130.45 36.59 Favored 'General case' 0 CA--C 1.479 -1.756 0 CA-C-O 122.568 1.175 . . . . 0.0 111.688 174.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 62.1 t -101.07 126.1 54.89 Favored 'Isoleucine or valine' 0 C--N 1.262 -3.239 0 N-CA-C 104.872 -2.27 . . . . 0.0 104.872 176.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 81.6 m -112.61 130.11 56.14 Favored 'General case' 0 C--N 1.283 -2.292 0 C-N-CA 119.933 -0.707 . . . . 0.0 111.248 -177.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 . . . . . 0 C--N 1.283 -2.296 0 CA-C-N 114.594 -1.184 . . . . 0.0 109.992 178.302 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 41.0 t . . . . . 0 N--CA 1.44 -0.974 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 94.5 m -118.15 135.98 53.89 Favored 'General case' 0 C--N 1.284 -2.241 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.0 178.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -129.39 138.66 51.63 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.007 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 57.4 m -116.41 126.66 53.76 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-O 121.724 0.774 . . . . 0.0 109.89 178.426 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.0 t -117.91 116.75 52.62 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.116 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.978 -176.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.538 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 12.3 m -79.89 129.09 34.21 Favored 'General case' 0 CA--C 1.492 -1.279 0 CA-C-O 122.23 1.014 . . . . 0.0 113.044 176.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -130.81 111.81 12.46 Favored 'General case' 0 C--N 1.284 -2.277 0 CA-C-N 113.322 -1.763 . . . . 0.0 106.901 174.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.9 tpt180 60.85 37.29 18.65 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-O 122.752 1.263 . . . . 0.0 109.276 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.89 -11.12 60.69 Favored Glycine 0 N--CA 1.444 -0.792 0 CA-C-N 114.173 -1.376 . . . . 0.0 113.313 179.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 60.2 t -97.32 109.89 24.15 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.332 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -178.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.538 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 5.6 m -80.12 121.98 26.24 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-O 121.888 0.851 . . . . 0.0 111.017 175.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 82.3 mtt180 -102.84 118.35 36.64 Favored 'General case' 0 C--N 1.282 -2.363 0 N-CA-C 106.852 -1.536 . . . . 0.0 106.852 177.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 57.9 m -96.7 129.85 44.03 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-O 122.0 0.905 . . . . 0.0 110.896 -178.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.5 t -118.62 128.14 75.55 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.29 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 95.0 m -115.22 134.64 54.96 Favored 'General case' 0 C--N 1.289 -2.053 0 C-N-CA 120.524 -0.47 . . . . 0.0 110.777 178.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 . . . . . 0 C--N 1.305 -1.329 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.413 178.391 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.576 0 N-CA-C 112.705 -0.158 . . . . 0.0 112.705 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 61.8 t -95.62 118.03 40.96 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 77.1 m -107.63 122.44 46.7 Favored 'General case' 0 C--N 1.291 -1.969 0 C-N-CA 120.199 -0.601 . . . . 0.0 110.204 179.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -106.97 138.89 42.27 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 177.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 72.9 m -120.38 126.3 50.14 Favored 'General case' 0 C--N 1.292 -1.912 0 CA-C-O 121.75 0.786 . . . . 0.0 110.969 177.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.5 t -103.4 116.22 46.77 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.54 0 N-CA-C 107.111 -1.44 . . . . 0.0 107.111 178.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 75.5 m -104.3 128.27 52.07 Favored 'General case' 0 C--N 1.288 -2.084 0 C-N-CA 119.996 -0.682 . . . . 0.0 111.08 -178.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -144.98 125.83 14.37 Favored 'General case' 0 C--N 1.289 -2.039 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.108 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 63.02 28.62 16.28 Favored 'General case' 0 CA--C 1.558 1.263 0 CA-C-O 122.286 1.041 . . . . 0.0 110.443 175.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.02 -7.41 71.0 Favored Glycine 0 CA--C 1.525 0.701 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.871 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 60.7 t -98.08 124.76 51.31 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.058 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.8 m -107.6 120.33 41.92 Favored 'General case' 0 C--N 1.296 -1.744 0 CA-C-O 121.864 0.84 . . . . 0.0 111.18 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -99.35 110.66 23.14 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 63.2 m -100.66 133.58 44.91 Favored 'General case' 0 C--N 1.285 -2.199 0 CA-C-O 121.839 0.828 . . . . 0.0 110.844 -178.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 58.0 t -121.86 117.46 52.51 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.331 0 CA-C-N 114.38 -1.282 . . . . 0.0 107.69 -178.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 70.7 m -97.94 133.21 42.74 Favored 'General case' 0 C--N 1.292 -1.912 0 CA-C-O 121.422 0.63 . . . . 0.0 110.567 178.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.7 tpt180 -144.02 110.65 5.59 Favored 'General case' 0 C--N 1.294 -1.829 0 CA-C-N 114.888 -1.051 . . . . 0.0 109.518 -178.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 63.5 ttt180 . . . . . 0 CA--C 1.55 0.958 0 C-N-CA 124.178 0.991 . . . . 0.0 111.205 175.851 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.844 0 CA-C-O 120.287 -0.174 . . . . 0.0 113.476 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 43.6 t -93.8 109.27 21.69 Favored 'Isoleucine or valine' 0 C--O 1.249 1.044 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.0 m -102.63 140.51 36.82 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-O 121.397 0.618 . . . . 0.0 112.185 -177.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.2 ptt180 -131.33 127.03 36.81 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.37 175.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 79.8 m -101.3 144.09 30.56 Favored 'General case' 0 C--N 1.288 -2.068 0 CA-C-O 120.954 0.407 . . . . 0.0 111.008 178.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.6 t -131.51 124.96 55.53 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.317 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 177.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 77.1 m -106.97 136.6 46.55 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-O 121.076 0.465 . . . . 0.0 111.573 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 51.5 ttp180 -139.63 109.17 6.21 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.047 177.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 45.5 ttt180 47.62 53.54 11.03 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.626 1.57 . . . . 0.0 112.518 176.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.2 -19.8 47.41 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.442 -0.799 . . . . 0.0 113.707 176.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 46.1 t -100.9 114.47 40.05 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 -178.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 83.0 m -106.78 121.82 45.15 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-O 121.385 0.612 . . . . 0.0 110.769 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.425 ' HA ' ' HE ' ' A' ' 13' ' ' ARG . 1.9 tpm_? -110.35 121.28 44.91 Favored 'General case' 0 C--N 1.294 -1.845 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 -179.46 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 59.8 m -102.75 125.88 49.65 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-O 121.719 0.771 . . . . 0.0 110.573 177.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.9 t -103.66 116.75 47.99 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.359 0 CA-C-N 114.071 -1.422 . . . . 0.0 107.479 -178.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 75.2 m -109.07 134.98 50.97 Favored 'General case' 0 C--N 1.284 -2.269 0 CA-C-O 121.179 0.514 . . . . 0.0 110.91 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -137.32 107.99 6.59 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.734 177.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 . . . . . 0 C--N 1.32 -0.71 0 C-N-CA 125.279 1.432 . . . . 0.0 110.768 176.443 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.22 0 CA-C-O 120.362 -0.132 . . . . 0.0 113.071 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 58.0 t -100.78 125.1 54.72 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 -178.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.501 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 72.8 m -93.66 121.38 35.03 Favored 'General case' 0 C--N 1.294 -1.809 0 C-N-CA 119.571 -0.851 . . . . 0.0 109.295 178.013 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -118.79 125.67 50.13 Favored 'General case' 0 N--CA 1.427 -1.591 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.054 -173.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.47 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 52.6 m -101.09 137.63 39.2 Favored 'General case' 0 C--N 1.291 -1.949 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.513 177.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.2 p -128.44 134.33 64.95 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.358 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 86.2 m -104.35 128.14 52.13 Favored 'General case' 0 N--CA 1.411 -2.4 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 177.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -134.62 122.02 21.71 Favored 'General case' 0 C--N 1.282 -2.338 0 CA-C-N 115.294 -0.866 . . . . 0.0 108.674 -177.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.8 tpm_? 60.02 29.91 19.44 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-O 122.233 1.016 . . . . 0.0 110.604 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.85 -18.87 51.81 Favored Glycine 0 N--CA 1.44 -1.1 0 CA-C-N 115.367 -0.833 . . . . 0.0 113.2 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 57.7 t -92.3 135.81 26.39 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 -178.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 61.8 m -113.1 129.64 56.44 Favored 'General case' 0 C--N 1.303 -1.444 0 C-N-CA 120.057 -0.657 . . . . 0.0 111.007 -177.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 71.3 mtt180 -129.02 139.08 52.21 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.979 -177.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.47 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 38.1 m -111.8 130.59 55.76 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.74 0.781 . . . . 0.0 111.224 -179.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 98.7 t -123.43 128.52 74.74 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.889 0 CA-C-N 114.288 -1.324 . . . . 0.0 107.66 -178.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.501 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 64.2 m -92.58 126.92 37.88 Favored 'General case' 0 C--N 1.302 -1.487 0 C-N-CA 120.219 -0.593 . . . . 0.0 110.513 177.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.4 tpm_? -133.39 109.81 9.59 Favored 'General case' 0 N--CA 1.424 -1.765 0 CA-C-N 114.845 -1.071 . . . . 0.0 109.188 -173.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 53.6 ttp180 . . . . . 0 CA--C 1.542 0.663 0 CA-C-O 122.124 0.964 . . . . 0.0 111.116 173.187 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.235 0 N-CA-C 112.332 -0.307 . . . . 0.0 112.332 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 99.4 t -89.71 125.88 42.65 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.145 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 -177.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 89.6 m -109.12 128.57 55.12 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-O 120.949 0.404 . . . . 0.0 110.285 178.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -129.76 138.36 51.04 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 38.0 m -111.13 139.17 46.73 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-O 121.395 0.617 . . . . 0.0 111.877 -175.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 39.5 t -115.92 127.15 73.6 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.295 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 77.8 m -99.13 127.66 45.13 Favored 'General case' 0 C--N 1.297 -1.717 0 C-N-CA 119.775 -0.77 . . . . 0.0 110.303 176.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -133.2 107.62 8.28 Favored 'General case' 0 N--CA 1.416 -2.174 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.195 -175.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 57.95 42.14 23.33 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.091 174.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.46 -16.42 60.01 Favored Glycine 0 N--CA 1.446 -0.635 0 CA-C-N 115.433 -0.803 . . . . 0.0 113.583 178.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.7 t -103.66 121.37 55.02 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.058 0 CA-C-N 117.691 0.746 . . . . 0.0 109.378 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 78.6 m -98.1 121.94 40.63 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 121.257 0.551 . . . . 0.0 110.434 179.075 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.4 tpp180 -113.39 137.07 52.05 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 -178.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.8 m -108.78 134.47 51.43 Favored 'General case' 0 C--N 1.302 -1.5 0 C-N-CA 119.876 -0.73 . . . . 0.0 111.926 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 74.5 t -120.28 130.89 73.85 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 CA-C-N 114.655 -1.157 . . . . 0.0 108.259 -178.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 63.1 m -115.5 135.98 53.55 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 120.769 -0.373 . . . . 0.0 111.046 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -142.5 129.4 20.62 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.007 177.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 . . . . . 0 CA--C 1.559 1.325 0 CA-C-O 122.306 1.05 . . . . 0.0 111.776 174.323 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.587 0 N-CA-C 112.254 -0.338 . . . . 0.0 112.254 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 49.1 t -117.2 126.58 74.6 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.153 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 77.0 m -106.61 124.17 49.2 Favored 'General case' 0 C--N 1.292 -1.925 0 C-N-CA 120.252 -0.579 . . . . 0.0 109.798 176.042 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 20.7 tpp180 -122.21 124.22 43.31 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.447 -178.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 84.6 m -104.43 134.06 48.27 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 172.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.3 t -117.95 119.87 62.83 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.562 0 N-CA-C 106.638 -1.616 . . . . 0.0 106.638 176.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 68.9 m -104.21 130.29 51.98 Favored 'General case' 0 C--N 1.29 -2.002 0 C-N-CA 120.109 -0.636 . . . . 0.0 112.062 -177.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -136.63 111.29 8.68 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-N 114.931 -1.031 . . . . 0.0 109.652 177.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.0 tpm_? 59.93 39.96 19.61 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-O 122.67 1.224 . . . . 0.0 110.695 176.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.98 -7.68 73.72 Favored Glycine 0 N--CA 1.439 -1.114 0 CA-C-N 114.832 -1.077 . . . . 0.0 112.554 177.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 46.8 t -97.19 113.23 31.03 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.139 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 178.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 80.3 m -102.95 121.9 43.49 Favored 'General case' 0 C--N 1.287 -2.131 0 CA-C-O 121.463 0.649 . . . . 0.0 111.129 -178.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.44 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 38.0 mmt180 -97.91 118.63 34.93 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 177.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 61.0 m -115.3 126.63 54.71 Favored 'General case' 0 C--N 1.299 -1.587 0 CA-C-O 121.263 0.554 . . . . 0.0 110.524 -179.136 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 72.7 t -127.13 122.89 61.06 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.327 0 CA-C-N 114.889 -1.051 . . . . 0.0 109.302 -177.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 86.3 m -98.09 129.42 44.92 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 174.141 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -153.74 133.68 13.16 Favored 'General case' 0 C--N 1.292 -1.928 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.282 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.5 tpt180 . . . . . 0 CA--C 1.553 1.086 0 C-N-CA 123.679 0.792 . . . . 0.0 111.797 172.599 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.507 0 N-CA-C 113.626 0.21 . . . . 0.0 113.626 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 41.3 t -113.42 113.39 43.84 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 O-C-N 122.209 -0.583 . . . . 0.0 109.719 178.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 96.2 m -106.42 123.01 47.43 Favored 'General case' 0 C--N 1.302 -1.457 0 C-N-CA 120.25 -0.58 . . . . 0.0 110.548 176.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -112.02 120.79 43.06 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 177.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 59.5 m -107.23 141.81 37.96 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-O 121.42 0.629 . . . . 0.0 111.765 -176.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.3 p -134.06 136.92 52.96 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.399 0 CA-C-N 115.027 -0.988 . . . . 0.0 108.948 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 64.6 m -112.91 133.86 54.69 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-O 121.049 0.452 . . . . 0.0 110.698 -179.076 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 51.1 ttp180 -140.11 123.55 17.06 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.195 177.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 62.08 28.04 16.93 Favored 'General case' 0 CA--C 1.556 1.179 0 CA-C-O 122.213 1.006 . . . . 0.0 110.485 176.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.77 -7.55 80.75 Favored Glycine 0 C--N 1.316 -0.528 0 CA-C-N 115.76 -0.654 . . . . 0.0 112.394 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 44.7 t -96.59 122.87 48.53 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.06 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 77.0 m -109.23 121.76 45.85 Favored 'General case' 0 C--N 1.291 -1.973 0 C-N-CA 120.149 -0.62 . . . . 0.0 110.261 -178.518 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.1 ttp85 -113.7 137.7 51.25 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 178.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 67.5 m -109.13 134.71 51.36 Favored 'General case' 0 C--N 1.29 -2.007 0 CA-C-O 121.608 0.718 . . . . 0.0 110.611 177.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.8 t -102.23 116.19 45.45 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.534 0 N-CA-C 105.825 -1.917 . . . . 0.0 105.825 177.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 95.4 m -111.18 127.17 55.5 Favored 'General case' 0 C--N 1.28 -2.453 0 C-N-CA 120.088 -0.645 . . . . 0.0 110.706 -178.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -135.99 102.27 4.98 Favored 'General case' 0 C--N 1.287 -2.139 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.289 -177.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.7 tpt180 . . . . . 0 C--N 1.315 -0.923 0 C-N-CA 125.545 1.538 . . . . 0.0 112.898 174.583 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.937 0 N-CA-C 113.286 0.074 . . . . 0.0 113.286 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 99.0 t -105.42 111.17 33.64 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.193 0 O-C-N 122.111 -0.641 . . . . 0.0 110.438 -179.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 98.9 m -101.63 121.03 41.26 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-O 121.347 0.594 . . . . 0.0 109.491 174.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -106.31 115.21 29.82 Favored 'General case' 0 C--N 1.29 -1.993 0 CA-C-N 114.984 -1.007 . . . . 0.0 108.661 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 63.4 m -111.53 129.52 56.03 Favored 'General case' 0 C--N 1.285 -2.202 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 176.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.1 p -135.49 139.83 45.83 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.656 0 CA-C-N 115.207 -0.906 . . . . 0.0 108.64 -177.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.478 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 61.0 m -107.53 136.46 47.26 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-O 121.069 0.461 . . . . 0.0 110.874 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -141.16 116.31 9.94 Favored 'General case' 0 N--CA 1.425 -1.695 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.415 178.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 32.9 ttm180 59.33 39.01 22.83 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.924 -1.034 . . . . 0.0 110.46 176.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.84 -17.53 52.43 Favored Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 115.18 -0.918 . . . . 0.0 112.786 178.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 45.0 t -94.72 112.2 26.86 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 -177.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.478 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 68.6 m -93.95 134.39 36.39 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 176.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 -133.13 137.96 46.48 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.548 -177.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 79.0 m -114.03 136.58 52.76 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-O 121.594 0.711 . . . . 0.0 110.755 178.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.5 t -118.82 116.41 51.06 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.204 0 N-CA-C 106.509 -1.663 . . . . 0.0 106.509 176.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 92.4 m -102.29 127.28 49.34 Favored 'General case' 0 C--N 1.288 -2.074 0 CA-C-O 121.455 0.645 . . . . 0.0 110.538 178.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 26.4 tpt180 -139.3 100.41 3.99 Favored 'General case' 0 N--CA 1.417 -2.1 0 CA-C-N 115.03 -0.986 . . . . 0.0 109.292 -176.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 . . . . . 0 C--O 1.242 0.672 0 C-N-CA 124.486 1.114 . . . . 0.0 112.63 175.041 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.148 0 N-CA-C 112.563 -0.215 . . . . 0.0 112.563 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 48.2 t -97.1 112.76 29.82 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.101 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 -177.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 96.1 m -99.36 122.18 42.14 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 176.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -133.46 137.88 45.92 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 -178.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.493 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 34.4 m -98.89 135.99 39.53 Favored 'General case' 0 C--N 1.305 -1.348 0 CA-C-O 121.38 0.609 . . . . 0.0 110.955 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.3 t -126.09 138.72 53.69 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.377 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 -177.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 69.3 m -109.76 124.0 50.51 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-O 121.336 0.589 . . . . 0.0 110.874 178.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -131.31 113.51 13.88 Favored 'General case' 0 C--N 1.293 -1.862 0 CA-C-N 114.861 -1.063 . . . . 0.0 108.993 -177.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 55.77 43.94 26.98 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-O 122.458 1.123 . . . . 0.0 111.039 177.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.29 -9.41 61.25 Favored Glycine 0 N--CA 1.441 -1.026 0 CA-C-N 115.039 -0.982 . . . . 0.0 113.371 177.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 70.5 t -99.08 113.0 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.361 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 179.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 71.6 m -96.47 121.3 38.13 Favored 'General case' 0 C--N 1.284 -2.277 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 177.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -124.06 139.23 54.15 Favored 'General case' 0 C--N 1.292 -1.933 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.089 -176.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.493 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 52.6 m -101.61 125.49 48.28 Favored 'General case' 0 N--CA 1.423 -1.796 0 CA-C-O 122.212 1.006 . . . . 0.0 110.598 179.449 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 39.8 t -110.22 122.09 64.18 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.547 0 CA-C-N 114.148 -1.387 . . . . 0.0 108.728 -174.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 72.1 m -105.73 127.52 53.13 Favored 'General case' 0 C--N 1.291 -1.941 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.048 177.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.6 ttp180 -148.86 121.82 8.79 Favored 'General case' 0 C--N 1.288 -2.097 0 CA-C-N 115.355 -0.838 . . . . 0.0 110.263 -178.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.1 tpp180 . . . . . 0 C--N 1.321 -0.641 0 C-N-CA 124.477 1.111 . . . . 0.0 111.075 174.974 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.053 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 56.9 t -86.62 113.82 24.99 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.944 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -177.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 83.6 m -92.99 127.03 38.36 Favored 'General case' 0 C--N 1.297 -1.683 0 CA-C-O 121.377 0.608 . . . . 0.0 112.022 -176.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -128.29 135.39 49.57 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 59.3 m -98.2 146.23 25.82 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 -173.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.4 p -142.1 140.81 29.42 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 178.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.453 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 58.2 m -108.56 129.8 55.3 Favored 'General case' 0 C--N 1.298 -1.67 0 C-N-CA 120.246 -0.582 . . . . 0.0 110.423 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -133.8 116.93 16.29 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-N 114.89 -1.05 . . . . 0.0 109.802 -176.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 61.18 34.11 19.01 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.614 1.166 . . . . 0.0 110.633 175.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.15 -1.08 87.66 Favored Glycine 0 N--CA 1.45 -0.415 0 CA-C-N 115.182 -0.917 . . . . 0.0 112.885 178.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.6 t -111.55 120.74 62.73 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.972 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 179.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.453 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 84.3 m -92.93 124.07 36.64 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-O 121.08 0.466 . . . . 0.0 110.52 -179.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 -124.19 139.09 54.26 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 115.371 -0.831 . . . . 0.0 108.869 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 30.6 m -106.58 125.25 50.77 Favored 'General case' 0 C--N 1.287 -2.132 0 C-N-CA 119.028 -1.069 . . . . 0.0 110.209 177.151 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.4 t -101.43 132.9 46.35 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.315 0 CA-C-N 114.129 -1.396 . . . . 0.0 107.322 -176.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.6 m -106.49 128.41 54.06 Favored 'General case' 0 N--CA 1.414 -2.256 0 CA-C-O 122.11 0.957 . . . . 0.0 111.24 -177.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -117.42 100.67 7.82 Favored 'General case' 0 C--N 1.289 -2.033 0 CA-C-N 113.729 -1.578 . . . . 0.0 108.938 -174.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 . . . . . 0 CA--C 1.548 0.896 0 CA-C-O 122.9 1.333 . . . . 0.0 110.05 177.836 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.974 0 N-CA-C 112.12 -0.392 . . . . 0.0 112.12 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 62.0 t -87.62 118.59 33.73 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 -179.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.3 m -110.36 133.47 53.23 Favored 'General case' 0 C--N 1.296 -1.751 0 C-N-CA 120.469 -0.493 . . . . 0.0 111.904 -176.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -118.69 125.45 49.71 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 176.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 55.7 m -110.8 136.69 49.48 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 120.887 0.375 . . . . 0.0 110.922 -176.486 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.2 t -136.12 139.25 46.06 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 177.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 62.9 m -104.14 135.92 44.73 Favored 'General case' 0 C--N 1.302 -1.467 0 CA-C-O 121.033 0.444 . . . . 0.0 110.483 -179.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 23.5 tpt180 -134.52 112.79 11.17 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.038 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.441 ' HA ' ' HE ' ' A' ' 9' ' ' ARG . 2.1 tpm_? 59.24 37.18 23.83 Favored 'General case' 0 CA--C 1.557 1.249 0 CA-C-O 121.915 0.864 . . . . 0.0 111.212 174.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.95 -14.32 64.63 Favored Glycine 0 C--N 1.318 -0.464 0 CA-C-N 115.897 -0.592 . . . . 0.0 113.056 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.9 t -95.77 115.54 35.17 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.913 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 73.9 m -95.7 125.71 40.47 Favored 'General case' 0 C--N 1.294 -1.843 0 C-N-CA 119.784 -0.766 . . . . 0.0 109.363 176.569 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 59.5 ttp85 -128.4 136.95 51.59 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.685 -176.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 38.9 m -113.24 131.97 55.7 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 121.412 0.625 . . . . 0.0 111.165 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.2 t -99.23 116.99 43.69 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.123 0 N-CA-C 106.262 -1.755 . . . . 0.0 106.262 177.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.6 m -107.22 134.98 49.51 Favored 'General case' 0 C--N 1.294 -1.827 0 C-N-CA 120.073 -0.651 . . . . 0.0 111.142 -178.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -136.73 110.82 8.31 Favored 'General case' 0 C--N 1.295 -1.763 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.464 178.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 . . . . . 0 CA--C 1.546 0.812 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.139 174.722 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.785 0 N-CA-C 112.641 -0.184 . . . . 0.0 112.641 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 43.0 t -108.92 117.83 55.16 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.28 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 -179.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 73.6 m -103.47 121.48 42.92 Favored 'General case' 0 C--N 1.282 -2.351 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.671 178.702 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -113.66 134.14 54.91 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 177.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.46 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 36.1 m -102.51 121.83 43.14 Favored 'General case' 0 N--CA 1.417 -2.119 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 174.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.8 t -98.91 123.95 51.84 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.606 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 -177.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 60.3 m -102.04 137.1 40.77 Favored 'General case' 0 C--N 1.287 -2.128 0 C-N-CA 119.862 -0.735 . . . . 0.0 111.673 -176.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.7 ttm-85 -134.73 113.1 11.31 Favored 'General case' 0 C--N 1.292 -1.904 0 CA-C-N 114.217 -1.356 . . . . 0.0 108.681 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 54.85 36.75 27.28 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.581 1.152 . . . . 0.0 111.474 178.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.88 -1.47 85.18 Favored Glycine 0 CA--C 1.522 0.505 0 C-N-CA 120.851 -0.69 . . . . 0.0 113.72 177.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.1 t -108.48 129.48 62.82 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 177.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 54.3 m -113.24 129.11 56.61 Favored 'General case' 0 C--N 1.3 -1.553 0 C-N-CA 119.421 -0.912 . . . . 0.0 112.631 -175.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -105.19 127.93 53.16 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 177.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.46 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 50.7 m -101.44 126.19 48.19 Favored 'General case' 0 C--N 1.307 -1.258 0 C-N-CA 119.361 -0.936 . . . . 0.0 111.487 -179.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.6 t -119.14 135.58 59.07 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.994 0 CA-C-N 114.341 -1.3 . . . . 0.0 107.771 -177.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 85.3 m -113.59 132.57 55.68 Favored 'General case' 0 C--N 1.302 -1.492 0 C-N-CA 120.212 -0.595 . . . . 0.0 111.725 -178.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 -143.65 118.74 10.08 Favored 'General case' 0 C--N 1.296 -1.742 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.788 179.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 . . . . . 0 CA--C 1.542 0.668 0 C-N-CA 124.087 0.955 . . . . 0.0 111.223 174.808 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.141 0 N-CA-C 113.934 0.334 . . . . 0.0 113.934 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 39.0 t -100.1 114.06 37.49 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.001 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 -179.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 75.6 m -107.64 139.2 42.55 Favored 'General case' 0 C--N 1.294 -1.829 0 C-N-CA 120.962 -0.295 . . . . 0.0 110.277 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 58.5 mtm180 -131.66 138.84 48.91 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 177.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 70.0 m -103.93 133.83 48.24 Favored 'General case' 0 C--N 1.3 -1.545 0 CA-C-O 121.863 0.84 . . . . 0.0 112.194 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.8 t -107.47 116.44 51.02 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.208 0 N-CA-C 106.434 -1.691 . . . . 0.0 106.434 178.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 71.7 m -103.93 131.57 51.04 Favored 'General case' 0 C--N 1.291 -1.948 0 CA-C-O 121.402 0.62 . . . . 0.0 110.942 -179.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -136.04 102.61 5.08 Favored 'General case' 0 C--N 1.287 -2.109 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.376 -178.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 54.58 46.42 24.86 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.202 1.001 . . . . 0.0 111.186 176.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.96 -19.8 46.66 Favored Glycine 0 C--N 1.312 -0.795 0 CA-C-N 115.407 -0.815 . . . . 0.0 113.477 178.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 55.6 t -92.34 112.46 25.91 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.191 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.3 m -103.71 121.42 42.95 Favored 'General case' 0 C--N 1.292 -1.931 0 CA-C-O 121.876 0.846 . . . . 0.0 110.267 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -115.76 124.59 51.16 Favored 'General case' 0 C--N 1.292 -1.93 0 N-CA-C 107.837 -1.171 . . . . 0.0 107.837 -179.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 22.5 m -109.01 134.77 51.21 Favored 'General case' 0 C--N 1.291 -1.946 0 CA-C-O 121.328 0.585 . . . . 0.0 110.912 -174.502 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 47.5 t -117.41 137.76 50.29 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 -179.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 76.3 m -115.05 146.08 41.64 Favored 'General case' 0 C--N 1.294 -1.833 0 C-N-CA 120.427 -0.509 . . . . 0.0 111.417 -178.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.8 ttp180 -139.12 107.48 5.81 Favored 'General case' 0 N--CA 1.429 -1.491 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.707 172.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 57.9 ttp180 . . . . . 0 CA--C 1.539 0.533 0 C-N-CA 126.059 1.743 . . . . 0.0 112.241 177.077 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -1.02 0 N-CA-C 112.343 -0.303 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 42.1 t -107.94 130.63 60.06 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.083 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 -178.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 81.4 m -102.82 133.58 47.66 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-O 121.051 0.453 . . . . 0.0 110.676 179.526 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 29.1 ttm180 -127.34 138.23 52.98 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 60.8 m -108.93 129.59 55.43 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-O 121.827 0.823 . . . . 0.0 110.67 177.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.2 t -105.75 117.1 50.87 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.256 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 75.0 m -109.54 131.01 55.46 Favored 'General case' 0 C--N 1.293 -1.89 0 CA-C-O 121.381 0.61 . . . . 0.0 111.594 -177.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.7 tpt180 -140.86 115.63 9.64 Favored 'General case' 0 C--N 1.297 -1.715 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.926 179.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 56.0 ttp180 58.71 34.48 23.81 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.553 1.141 . . . . 0.0 110.338 177.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.68 -19.21 49.51 Favored Glycine 0 N--CA 1.443 -0.89 0 CA-C-N 115.244 -0.889 . . . . 0.0 112.9 179.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 68.0 t -84.04 111.52 20.08 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 179.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 86.7 m -102.49 129.35 48.99 Favored 'General case' 0 C--N 1.287 -2.124 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.471 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 -118.87 116.56 26.75 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 107.81 -1.182 . . . . 0.0 107.81 178.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 58.9 m -95.78 133.17 40.21 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-O 121.662 0.744 . . . . 0.0 111.095 179.271 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.1 t -124.62 137.08 58.58 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.92 0 CA-C-N 114.447 -1.252 . . . . 0.0 107.726 -176.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 75.4 m -118.38 128.99 55.17 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 120.344 -0.542 . . . . 0.0 110.658 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.6 ptt180 -149.18 140.58 23.27 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.704 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.49 ' HG2' ' O ' ' A' ' 18' ' ' ARG . 45.4 ttt180 . . . . . 0 CA--C 1.559 1.296 0 CA-C-O 122.788 1.28 . . . . 0.0 110.544 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.782 0 N-CA-C 114.023 0.369 . . . . 0.0 114.023 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 50.8 t -115.69 122.84 70.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 117.777 0.789 . . . . 0.0 109.582 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 77.2 m -108.48 121.74 45.59 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-O 120.997 0.427 . . . . 0.0 110.996 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -115.38 138.97 50.43 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 177.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 38.7 m -114.06 122.04 45.66 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-O 121.812 0.815 . . . . 0.0 110.257 179.405 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 43.5 t -104.69 128.51 58.27 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.665 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 -176.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 56.9 m -107.47 135.08 49.55 Favored 'General case' 0 C--N 1.289 -2.036 0 CA-C-O 121.402 0.62 . . . . 0.0 111.346 -176.145 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 36.9 ttt180 -126.71 107.39 10.13 Favored 'General case' 0 C--N 1.291 -1.941 0 CA-C-N 114.65 -1.159 . . . . 0.0 108.425 179.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 57.41 40.19 27.6 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-O 122.296 1.046 . . . . 0.0 110.13 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.83 -14.94 55.2 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 114.95 -1.023 . . . . 0.0 113.479 178.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 44.6 t -88.53 115.48 28.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 64.1 m -103.15 127.91 50.28 Favored 'General case' 0 C--N 1.285 -2.218 0 C-N-CA 120.198 -0.601 . . . . 0.0 112.124 -175.496 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.2 ptp180 -114.65 138.67 50.4 Favored 'General case' 0 C--N 1.311 -1.082 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 173.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 59.6 m -106.59 137.82 43.91 Favored 'General case' 0 C--N 1.294 -1.812 0 CA-C-O 121.474 0.654 . . . . 0.0 111.107 -178.158 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 58.2 t -120.13 116.87 51.66 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.849 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 73.4 m -99.34 127.28 45.34 Favored 'General case' 0 C--N 1.29 -1.999 0 CA-C-O 121.418 0.628 . . . . 0.0 110.161 177.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.3 tpt180 -131.8 104.73 7.05 Favored 'General case' 0 C--N 1.293 -1.862 0 CA-C-N 114.789 -1.096 . . . . 0.0 110.428 -178.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 . . . . . 0 C--O 1.241 0.632 0 C-N-CA 125.376 1.471 . . . . 0.0 112.089 173.307 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.931 0 N-CA-C 113.328 0.091 . . . . 0.0 113.328 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 59.7 t -102.31 121.32 53.22 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.133 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 84.6 m -110.6 125.1 53.04 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-O 121.399 0.618 . . . . 0.0 110.316 179.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -113.74 113.21 24.66 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 57.2 m -104.57 138.92 40.2 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 177.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.2 p -134.64 140.67 45.2 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.403 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 -179.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 71.8 m -101.71 127.79 48.32 Favored 'General case' 0 N--CA 1.432 -1.338 0 CA-C-O 122.242 1.02 . . . . 0.0 112.467 -179.27 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.0 tpt180 -121.6 92.54 3.77 Favored 'General case' 0 C--N 1.292 -1.933 0 CA-C-N 113.903 -1.499 . . . . 0.0 108.918 -178.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 54.15 52.66 12.29 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 123.937 0.895 . . . . 0.0 111.397 174.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.61 -19.71 46.19 Favored Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 115.435 -0.802 . . . . 0.0 113.142 178.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 51.7 t -97.69 109.46 23.54 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.068 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 60.1 m -98.24 121.6 40.37 Favored 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.147 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.4 ptt180 -114.47 137.25 52.08 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.985 -176.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 85.0 m -111.57 133.35 53.9 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 121.803 0.811 . . . . 0.0 111.237 -179.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 84.9 t -118.45 127.82 75.47 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.368 0 N-CA-C 107.019 -1.475 . . . . 0.0 107.019 178.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.5 m -119.79 135.06 55.01 Favored 'General case' 0 C--N 1.295 -1.782 0 C-N-CA 120.247 -0.581 . . . . 0.0 111.287 -177.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 -145.92 119.66 9.23 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.152 177.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 45.1 ttt180 . . . . . 0 CA--C 1.551 0.991 0 C-N-CA 125.137 1.375 . . . . 0.0 111.905 175.276 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.97 0 CA-C-O 120.271 -0.183 . . . . 0.0 113.358 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.1 t -98.35 107.64 20.66 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.336 0 CA-C-O 121.215 0.531 . . . . 0.0 110.072 -178.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 96.3 m -103.98 124.71 49.51 Favored 'General case' 0 N--CA 1.423 -1.823 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.339 177.238 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 63.0 mtm180 -112.01 118.67 36.08 Favored 'General case' 0 C--N 1.292 -1.894 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 174.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 69.2 m -108.88 141.35 41.06 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.565 -179.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.1 p -135.75 138.65 47.54 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.025 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 178.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 80.8 m -113.91 142.7 45.8 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-O 121.082 0.467 . . . . 0.0 111.332 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 52.7 ttp180 -142.99 105.13 4.41 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.923 174.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.5 ttt180 59.16 42.85 18.06 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-O 122.328 1.061 . . . . 0.0 111.133 173.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.69 -14.05 65.09 Favored Glycine 0 N--CA 1.444 -0.772 0 CA-C-N 115.042 -0.981 . . . . 0.0 113.014 178.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 46.5 t -94.82 109.96 23.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 179.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 73.5 m -108.17 125.16 51.3 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-O 121.093 0.473 . . . . 0.0 110.496 -177.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 63.5 mtm180 -119.17 136.24 54.28 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.738 -178.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 68.2 m -120.6 139.4 53.03 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-O 121.041 0.448 . . . . 0.0 110.435 178.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.2 t -116.43 116.5 52.46 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.127 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 174.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 85.0 m -108.83 133.68 52.55 Favored 'General case' 0 C--N 1.293 -1.849 0 CA-C-O 120.958 0.408 . . . . 0.0 111.299 -179.021 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 50.4 ttp180 -149.18 112.88 5.07 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.551 176.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 55.0 ttp180 . . . . . 0 C--O 1.251 1.141 0 C-N-CA 125.479 1.512 . . . . 0.0 111.566 175.052 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.523 0 CA-C-O 120.885 0.159 . . . . 0.0 112.757 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 38.9 t -99.58 130.47 48.56 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.136 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -178.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.481 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 57.3 m -98.23 120.87 39.4 Favored 'General case' 0 C--N 1.286 -2.19 0 C-N-CA 118.778 -1.169 . . . . 0.0 108.732 175.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.448 ' HA ' ' NE ' ' A' ' 4' ' ' ARG . 1.0 OUTLIER -121.93 139.8 53.21 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 106.435 -1.691 . . . . 0.0 106.435 -174.289 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 8.4 m -108.66 135.95 49.05 Favored 'General case' 0 C--N 1.288 -2.071 0 C-N-CA 119.298 -0.961 . . . . 0.0 111.908 -173.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.7 m -105.55 140.44 23.61 Favored 'Isoleucine or valine' 0 N--CA 1.405 -2.717 0 CA-C-N 114.987 -1.006 . . . . 0.0 108.349 178.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 59.3 m -109.9 126.38 53.8 Favored 'General case' 0 C--N 1.288 -2.099 0 C-N-CA 119.952 -0.699 . . . . 0.0 110.612 -178.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.6 tpt180 -126.44 112.2 15.33 Favored 'General case' 0 C--N 1.286 -2.179 0 CA-C-N 114.827 -1.079 . . . . 0.0 108.309 -176.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 59.22 41.65 19.82 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-O 122.563 1.173 . . . . 0.0 110.688 177.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.97 -7.01 64.34 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 114.997 -1.001 . . . . 0.0 113.855 178.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 49.1 t -103.71 125.29 58.34 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 65.0 m -102.48 122.93 45.31 Favored 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 120.622 -0.431 . . . . 0.0 111.347 -177.497 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -119.51 139.61 51.82 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.329 -0.851 . . . . 0.0 109.135 -178.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 59.4 m -102.08 139.18 38.05 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 113.569 0.952 . . . . 0.0 113.569 -173.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.6 t -126.55 140.4 48.98 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.042 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 -179.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.481 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 61.2 m -103.46 127.2 50.89 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-O 121.596 0.712 . . . . 0.0 111.076 -179.66 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.452 ' HA ' ' HE ' ' A' ' 17' ' ' ARG . 1.3 tpm_? -142.2 118.68 10.93 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-N 114.679 -1.146 . . . . 0.0 109.291 -172.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.419 ' HG2' ' O ' ' A' ' 18' ' ' ARG . 41.2 ttm180 . . . . . 0 CA--C 1.548 0.877 0 CA-C-O 122.625 1.203 . . . . 0.0 110.023 177.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.799 0 N-CA-C 112.957 -0.057 . . . . 0.0 112.957 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 43.9 t -93.75 109.92 22.65 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.143 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 -178.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 89.5 m -103.47 121.59 43.14 Favored 'General case' 0 C--N 1.289 -2.046 0 CA-C-O 121.268 0.556 . . . . 0.0 110.537 -179.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 20.9 tpp180 -102.97 112.43 25.25 Favored 'General case' 0 C--N 1.293 -1.891 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 70.6 m -107.61 132.4 53.34 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-O 121.271 0.558 . . . . 0.0 109.956 178.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.6 t -124.57 132.25 71.59 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.22 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 -179.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 79.7 m -110.14 133.45 53.2 Favored 'General case' 0 C--N 1.297 -1.699 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.229 179.055 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -143.44 120.63 11.5 Favored 'General case' 0 C--N 1.294 -1.822 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.455 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 66.3 ttt180 63.23 29.98 15.88 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-O 122.146 0.974 . . . . 0.0 110.193 174.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.63 -3.22 87.21 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.431 -0.804 . . . . 0.0 112.189 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 81.8 t -101.22 115.01 42.13 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.117 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 73.9 m -101.91 125.56 48.61 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 121.167 0.508 . . . . 0.0 110.971 179.539 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -120.56 139.08 53.45 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 -178.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 64.1 m -123.85 140.9 52.53 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-O 121.126 0.488 . . . . 0.0 111.177 -178.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.8 p -125.47 124.85 67.8 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.767 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 175.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.1 m -108.26 133.84 51.92 Favored 'General case' 0 C--N 1.298 -1.669 0 C-N-CA 120.239 -0.584 . . . . 0.0 112.382 -176.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 25.8 tpt180 -132.28 104.18 6.61 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-N 115.041 -0.982 . . . . 0.0 110.437 176.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 . . . . . 0 C--O 1.244 0.773 0 C-N-CA 125.206 1.403 . . . . 0.0 112.212 175.64 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.911 0 CA-C-O 120.16 -0.244 . . . . 0.0 113.203 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 49.0 t -87.85 108.4 18.42 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.5 m -107.03 132.98 52.35 Favored 'General case' 0 C--N 1.289 -2.064 0 C-N-CA 120.396 -0.522 . . . . 0.0 111.309 -177.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -137.68 132.7 33.29 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.522 176.073 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.557 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 51.4 m -89.99 142.17 27.96 Favored 'General case' 0 CA--C 1.486 -1.513 0 CA-C-O 121.774 0.797 . . . . 0.0 112.273 177.364 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.2 p -132.02 141.05 46.47 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.356 0 N-CA-C 105.904 -1.887 . . . . 0.0 105.904 176.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 57.7 m -102.51 131.64 49.09 Favored 'General case' 0 C--N 1.291 -1.952 0 C-N-CA 119.784 -0.767 . . . . 0.0 111.527 -177.49 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -126.88 107.07 9.77 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-N 114.498 -1.228 . . . . 0.0 107.904 179.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.5 tpt180 51.06 52.85 14.12 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.051 0.94 . . . . 0.0 111.199 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.24 -14.52 33.43 Favored Glycine 0 C--N 1.314 -0.673 0 CA-C-N 115.31 -0.859 . . . . 0.0 113.491 176.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.1 t -96.45 109.93 23.78 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.064 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 56.6 m -95.88 121.45 37.62 Favored 'General case' 0 C--N 1.285 -2.235 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 179.054 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -125.34 137.72 54.05 Favored 'General case' 0 C--N 1.296 -1.741 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.207 -177.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.557 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 27.5 m -90.56 130.45 36.59 Favored 'General case' 0 CA--C 1.479 -1.756 0 CA-C-O 122.568 1.175 . . . . 0.0 111.688 174.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 62.1 t -101.07 126.1 54.89 Favored 'Isoleucine or valine' 0 C--N 1.262 -3.239 0 N-CA-C 104.872 -2.27 . . . . 0.0 104.872 176.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 81.6 m -112.61 130.11 56.14 Favored 'General case' 0 C--N 1.283 -2.292 0 C-N-CA 119.933 -0.707 . . . . 0.0 111.248 -177.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -121.35 98.33 5.93 Favored 'General case' 0 C--N 1.283 -2.296 0 CA-C-N 114.594 -1.184 . . . . 0.0 109.992 178.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.8 ttt180 . . . . . 0 CA--C 1.545 0.775 0 C-N-CA 124.597 1.159 . . . . 0.0 111.502 178.568 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.425 0 N-CA-C 112.27 -0.332 . . . . 0.0 112.27 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 41.0 t -106.0 135.79 42.88 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.232 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 -178.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 94.5 m -118.15 135.98 53.89 Favored 'General case' 0 C--N 1.284 -2.241 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.0 178.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -129.39 138.66 51.63 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.007 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 57.4 m -116.41 126.66 53.76 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-O 121.724 0.774 . . . . 0.0 109.89 178.426 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.0 t -117.91 116.75 52.62 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.116 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.978 -176.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.538 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 12.3 m -79.89 129.09 34.21 Favored 'General case' 0 CA--C 1.492 -1.279 0 CA-C-O 122.23 1.014 . . . . 0.0 113.044 176.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -130.81 111.81 12.46 Favored 'General case' 0 C--N 1.284 -2.277 0 CA-C-N 113.322 -1.763 . . . . 0.0 106.901 174.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.9 tpt180 60.85 37.29 18.65 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-O 122.752 1.263 . . . . 0.0 109.276 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.89 -11.12 60.69 Favored Glycine 0 N--CA 1.444 -0.792 0 CA-C-N 114.173 -1.376 . . . . 0.0 113.313 179.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 60.2 t -97.32 109.89 24.15 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.332 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -178.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.538 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 5.6 m -80.12 121.98 26.24 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-O 121.888 0.851 . . . . 0.0 111.017 175.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 82.3 mtt180 -102.84 118.35 36.64 Favored 'General case' 0 C--N 1.282 -2.363 0 N-CA-C 106.852 -1.536 . . . . 0.0 106.852 177.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 57.9 m -96.7 129.85 44.03 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-O 122.0 0.905 . . . . 0.0 110.896 -178.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.5 t -118.62 128.14 75.55 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.29 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 95.0 m -115.22 134.64 54.96 Favored 'General case' 0 C--N 1.289 -2.053 0 C-N-CA 120.524 -0.47 . . . . 0.0 110.777 178.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -160.9 141.31 11.27 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.413 178.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 . . . . . 0 CA--C 1.545 0.757 0 CA-C-O 122.193 0.997 . . . . 0.0 110.564 176.771 . . . . . . . . 0 0 . 1 stop_ save_