data_2m78_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 2m78 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 58.6 m . . . . . 0 N--CA 1.435 -1.216 0 CA-C-O 121.475 0.655 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -119.75 140.69 50.32 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 107.018 -1.475 . . . . 0.0 107.018 177.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 58.7 m -111.19 151.5 28.14 Favored 'General case' 0 C--N 1.286 -2.16 0 C-N-CA 119.563 -0.855 . . . . 0.0 111.977 -173.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -139.06 154.51 48.21 Favored 'General case' 0 N--CA 1.434 -1.247 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.963 -178.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 76.0 m -121.29 113.38 19.85 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 174.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.421 ' O ' ' HB3' ' A' ' 11' ' ' ASP . 1.3 tmm_? -108.68 98.69 8.16 Favored 'General case' 0 C--N 1.284 -2.249 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.231 -176.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 61.43 34.94 17.94 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.397 1.079 . . . . 0.0 110.528 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.5 -16.3 60.77 Favored Glycine 0 C--N 1.311 -0.829 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.958 -179.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.421 ' HB3' ' O ' ' A' ' 8' ' ' ARG . 23.2 t70 -85.02 96.72 9.49 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 61.5 m -91.1 134.69 34.32 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-O 121.712 0.768 . . . . 0.0 111.035 -179.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -158.56 167.13 30.41 Favored 'General case' 0 C--N 1.292 -1.93 0 CA-C-N 114.383 -1.28 . . . . 0.0 108.603 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 63.2 m -117.75 147.9 42.55 Favored 'General case' 0 C--N 1.298 -1.657 0 C-N-CA 119.984 -0.686 . . . . 0.0 111.437 -179.284 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.4 tt -121.71 133.97 66.49 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.222 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 177.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.7 m . . . . . 0 C--N 1.303 -1.435 0 CA-C-O 121.277 0.56 . . . . 0.0 111.361 -177.149 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 45.9 m . . . . . 0 N--CA 1.438 -1.035 0 CA-C-O 121.16 0.505 . . . . 0.0 110.761 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.2 ppt_? -126.22 143.26 51.21 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 176.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 38.8 m -102.12 141.1 35.5 Favored 'General case' 0 C--N 1.289 -2.039 0 C-N-CA 119.311 -0.956 . . . . 0.0 112.13 -173.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.454 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 50.3 tp -129.64 140.06 51.26 Favored 'General case' 0 C--N 1.297 -1.716 0 CA-C-N 114.826 -1.079 . . . . 0.0 109.952 -175.505 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 66.9 m -104.83 111.3 23.99 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 172.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -118.62 108.08 14.5 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-N 115.171 -0.922 . . . . 0.0 108.578 -174.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 55.18 44.13 28.24 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-O 122.796 1.284 . . . . 0.0 110.478 -179.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.06 -27.24 15.47 Favored Glycine 0 N--CA 1.43 -1.735 0 CA-C-N 115.09 -0.959 . . . . 0.0 113.263 178.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -89.51 113.34 24.71 Favored 'General case' 0 CA--C 1.493 -1.212 0 C-N-CA 120.044 -0.662 . . . . 0.0 110.804 -175.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.454 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 39.0 m -89.6 120.77 31.19 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 175.062 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.2 tpp180 -134.46 148.78 50.66 Favored 'General case' 0 C--N 1.267 -3.006 0 N-CA-C 106.679 -1.6 . . . . 0.0 106.679 -174.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 56.9 m -105.0 128.84 53.47 Favored 'General case' 0 C--N 1.289 -2.05 0 C-N-CA 118.999 -1.08 . . . . 0.0 111.368 179.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.4 mm -103.6 120.2 53.3 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.004 0 CA-C-N 114.299 -1.319 . . . . 0.0 108.863 -175.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 75.4 m . . . . . 0 C--N 1.298 -1.669 0 CA-C-O 121.055 0.455 . . . . 0.0 110.201 178.069 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.0 m . . . . . 0 CA--C 1.488 -1.42 0 CA-C-O 121.45 0.643 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 41.4 ptt85 -134.28 129.96 36.36 Favored 'General case' 0 C--N 1.285 -2.209 0 CA-C-N 114.643 -1.162 . . . . 0.0 108.471 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 72.0 m -98.12 154.0 18.05 Favored 'General case' 0 C--N 1.283 -2.287 0 C-N-CA 119.973 -0.691 . . . . 0.0 110.127 177.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.2 tp -146.19 128.25 15.58 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-O 120.965 0.412 . . . . 0.0 110.998 -178.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 71.1 m -94.29 109.49 21.3 Favored 'General case' 0 N--CA 1.429 -1.485 0 CA-C-O 121.656 0.741 . . . . 0.0 109.128 171.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 20.3 tpt180 -119.21 120.79 38.08 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 113.918 -1.492 . . . . 0.0 108.434 -174.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 64.2 ttt180 61.44 29.72 18.58 Favored 'General case' 0 CA--C 1.562 1.432 0 CA-C-O 122.535 1.16 . . . . 0.0 110.383 178.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.44 -11.0 57.61 Favored Glycine 0 C--O 1.244 0.751 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.421 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -100.64 120.35 39.92 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 -177.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.8 m -96.33 132.0 42.28 Favored 'General case' 0 C--N 1.291 -1.944 0 CA-C-O 121.372 0.606 . . . . 0.0 111.119 -175.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -134.3 158.34 44.02 Favored 'General case' 0 C--N 1.294 -1.826 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 -178.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 79.7 m -120.15 143.52 48.16 Favored 'General case' 0 C--N 1.287 -2.129 0 C-N-CA 119.574 -0.85 . . . . 0.0 110.037 176.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.7 mp -124.47 119.67 57.02 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.77 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.096 -178.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.0 m . . . . . 0 C--N 1.292 -1.899 0 N-CA-C 109.063 -0.718 . . . . 0.0 109.063 174.205 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.7 m . . . . . 0 N--CA 1.433 -1.319 0 CA-C-O 122.223 1.011 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -117.2 139.15 51.14 Favored 'General case' 0 C--N 1.284 -2.247 0 CA-C-N 114.179 -1.373 . . . . 0.0 108.071 -176.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.444 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 16.8 m -94.57 144.36 25.65 Favored 'General case' 0 CA--C 1.481 -1.687 0 C-N-CA 118.623 -1.231 . . . . 0.0 113.245 179.141 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -124.55 130.39 52.36 Favored 'General case' 0 C--N 1.28 -2.422 0 CA-C-N 113.187 -1.824 . . . . 0.0 108.039 178.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 11' ' ' ASP . 81.2 m -112.96 135.26 53.92 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-O 121.007 0.432 . . . . 0.0 110.644 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -131.03 99.67 4.97 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 108.779 -0.822 . . . . 0.0 108.779 176.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 52.36 55.15 9.55 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 124.351 1.06 . . . . 0.0 110.323 178.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.29 -32.07 6.23 Favored Glycine 0 N--CA 1.442 -0.945 0 CA-C-N 115.497 -0.774 . . . . 0.0 112.699 179.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.423 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 16.7 t70 -75.37 97.62 3.66 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-O 121.129 0.49 . . . . 0.0 110.787 -177.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.2 m -102.45 127.18 49.59 Favored 'General case' 0 C--N 1.287 -2.112 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.56 177.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -145.06 149.64 35.43 Favored 'General case' 0 C--N 1.27 -2.863 0 CA-C-N 114.416 -1.265 . . . . 0.0 108.101 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.444 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 4.1 m -95.13 140.24 30.34 Favored 'General case' 0 CA--C 1.478 -1.797 0 CA-C-O 122.392 1.091 . . . . 0.0 113.001 178.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.5 mt -119.98 130.57 74.08 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.646 0 CA-C-N 112.849 -1.978 . . . . 0.0 106.629 176.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 15.4 m . . . . . 0 C--N 1.287 -2.113 0 C-N-CA 119.593 -0.843 . . . . 0.0 110.187 -179.129 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 76.7 m . . . . . 0 N--CA 1.432 -1.368 0 CA-C-O 121.223 0.535 . . . . 0.0 110.548 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.4 ttp180 -139.15 137.4 36.06 Favored 'General case' 0 C--N 1.29 -1.981 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 62.5 m -111.17 146.07 37.54 Favored 'General case' 0 C--N 1.298 -1.655 0 C-N-CA 119.151 -1.02 . . . . 0.0 112.678 -175.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -120.54 131.08 54.51 Favored 'General case' 0 C--N 1.291 -1.958 0 N-CA-C 106.196 -1.779 . . . . 0.0 106.196 178.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 82.0 m -121.64 134.68 54.99 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-O 120.577 0.227 . . . . 0.0 111.07 -177.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 75.8 mtm180 -136.53 108.31 7.06 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 61.97 34.27 16.84 Favored 'General case' 0 CA--C 1.563 1.464 0 CA-C-O 122.355 1.074 . . . . 0.0 110.032 175.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.38 -18.21 55.19 Favored Glycine 0 C--N 1.315 -0.62 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.155 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -80.09 104.07 10.4 Favored 'General case' 0 CA--C 1.494 -1.174 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 85.9 m -101.23 134.92 43.54 Favored 'General case' 0 N--CA 1.418 -2.054 0 CA-C-O 122.023 0.916 . . . . 0.0 109.925 177.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.2 ttm180 -132.41 132.18 42.55 Favored 'General case' 0 C--N 1.265 -3.087 0 N-CA-C 106.061 -1.829 . . . . 0.0 106.061 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 57.9 m -110.53 134.89 51.96 Favored 'General case' 0 C--N 1.279 -2.468 0 C-N-CA 119.348 -0.941 . . . . 0.0 111.689 -174.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.2 tt -107.26 115.63 49.06 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.325 0 CA-C-N 114.397 -1.274 . . . . 0.0 109.909 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 62.3 m . . . . . 0 C--N 1.301 -1.513 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 176.882 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 62.4 m . . . . . 0 N--CA 1.443 -0.782 0 CA-C-O 121.324 0.583 . . . . 0.0 112.561 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 37.8 mmt180 -130.2 148.31 52.02 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 105.898 -1.89 . . . . 0.0 105.898 170.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 80.3 m -109.41 151.47 26.63 Favored 'General case' 0 C--N 1.296 -1.736 0 C-N-CA 119.198 -1.001 . . . . 0.0 112.759 -177.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 35.1 tp -135.6 129.02 32.26 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 124.31 1.044 . . . . 0.0 110.242 -174.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 72.7 m -105.0 118.0 35.42 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-O 121.003 0.43 . . . . 0.0 110.846 177.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.488 ' HA ' ' NE ' ' A' ' 8' ' ' ARG . 3.9 mmp_? -114.78 101.16 8.8 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.064 178.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 54.72 43.69 29.71 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-O 122.677 1.227 . . . . 0.0 110.705 177.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.14 -27.12 19.81 Favored Glycine 0 N--CA 1.443 -0.837 0 CA-C-N 114.763 -1.108 . . . . 0.0 113.136 178.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -82.99 102.47 11.76 Favored 'General case' 0 CA--C 1.503 -0.851 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 -179.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 59.6 m -92.09 122.13 34.3 Favored 'General case' 0 N--CA 1.425 -1.721 0 CA-C-O 122.192 0.996 . . . . 0.0 109.981 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 55.2 mtp85 -122.82 165.23 16.95 Favored 'General case' 0 C--N 1.265 -3.08 0 CA-C-N 113.111 -1.859 . . . . 0.0 106.598 -174.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 75.3 m -128.58 136.35 50.61 Favored 'General case' 0 N--CA 1.411 -2.403 0 C-N-CA 119.519 -0.872 . . . . 0.0 110.744 177.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.3 mt -99.94 114.84 39.59 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.19 0 CA-C-N 114.455 -1.248 . . . . 0.0 107.804 -178.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.0 m . . . . . 0 C--N 1.289 -2.055 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 177.812 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 35.1 m . . . . . 0 CA--C 1.496 -1.098 0 CA-C-O 122.509 1.147 . . . . 0.0 113.802 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -125.63 155.65 40.45 Favored 'General case' 0 C--N 1.28 -2.45 0 N-CA-C 104.582 -2.377 . . . . 0.0 104.582 178.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 10.9 m -114.53 135.21 54.38 Favored 'General case' 0 N--CA 1.412 -2.367 0 C-N-CA 117.931 -1.508 . . . . 0.0 111.946 -174.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.9 mp -120.94 149.67 42.28 Favored 'General case' 0 C--N 1.298 -1.657 0 CA-C-N 114.576 -1.193 . . . . 0.0 109.465 -178.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 55.8 m -111.7 129.41 56.11 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-O 121.477 0.656 . . . . 0.0 111.421 -178.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -124.69 101.23 7.01 Favored 'General case' 0 N--CA 1.434 -1.272 0 CA-C-N 114.781 -1.1 . . . . 0.0 109.93 178.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 60.97 40.6 15.16 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 122.511 1.148 . . . . 0.0 110.23 176.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.97 -17.48 59.21 Favored Glycine 0 N--CA 1.436 -1.317 0 CA-C-N 114.676 -1.147 . . . . 0.0 111.977 179.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -87.6 96.05 10.27 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -178.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 59.5 m -87.39 119.69 27.92 Favored 'General case' 0 CA--C 1.471 -2.086 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 176.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.9 ttm-85 -135.27 143.41 46.25 Favored 'General case' 0 C--N 1.257 -3.421 0 CA-C-N 114.303 -1.317 . . . . 0.0 108.273 -173.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 34.9 m -97.02 136.92 36.89 Favored 'General case' 0 C--N 1.285 -2.23 0 C-N-CA 119.116 -1.033 . . . . 0.0 111.687 -175.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.7 tp -133.0 145.48 34.1 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.064 0 CA-C-N 114.711 -1.131 . . . . 0.0 109.288 -179.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 53.7 m . . . . . 0 CA--C 1.48 -1.742 0 CA-C-O 122.357 1.075 . . . . 0.0 110.391 176.306 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 82.2 m . . . . . 0 N--CA 1.44 -0.966 0 CA-C-O 121.663 0.744 . . . . 0.0 110.48 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -111.63 135.1 52.68 Favored 'General case' 0 C--N 1.283 -2.313 0 N-CA-C 106.811 -1.552 . . . . 0.0 106.811 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 58.7 m -111.62 148.55 33.1 Favored 'General case' 0 C--N 1.286 -2.183 0 C-N-CA 119.095 -1.042 . . . . 0.0 112.348 -174.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.7 mt -133.71 159.69 39.8 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-N 114.937 -1.028 . . . . 0.0 108.483 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 62.2 m -129.3 132.88 47.24 Favored 'General case' 0 C--N 1.293 -1.873 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 175.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -145.88 142.18 28.53 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 107.505 -1.294 . . . . 0.0 107.505 178.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.416 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 37.7 ttp180 66.94 10.54 7.73 Favored 'General case' 0 N--CA 1.493 1.706 0 CA-C-O 121.584 0.707 . . . . 0.0 111.162 177.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.0 12.24 83.59 Favored Glycine 0 C--N 1.315 -0.603 0 N-CA-C 109.977 -1.249 . . . . 0.0 109.977 -173.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -113.19 109.57 18.99 Favored 'General case' 0 C--N 1.307 -1.25 0 C-N-CA 125.004 1.322 . . . . 0.0 107.83 -177.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.3 m -84.92 138.41 32.53 Favored 'General case' 0 C--N 1.297 -1.7 0 C-N-CA 119.808 -0.757 . . . . 0.0 110.59 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -142.08 138.96 32.1 Favored 'General case' 0 C--N 1.283 -2.313 0 CA-C-N 115.137 -0.938 . . . . 0.0 108.714 -171.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 79.5 m -109.39 140.35 43.21 Favored 'General case' 0 C--N 1.284 -2.248 0 C-N-CA 119.621 -0.831 . . . . 0.0 111.337 -179.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.6 mm -110.84 125.28 68.14 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.139 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 62.4 m . . . . . 0 C--N 1.293 -1.874 0 CA-C-O 121.255 0.55 . . . . 0.0 109.944 179.774 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 47.7 m . . . . . 0 N--CA 1.431 -1.38 0 CA-C-O 121.19 0.519 . . . . 0.0 111.612 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 19.1 ttp85 -148.26 146.54 28.67 Favored 'General case' 0 C--N 1.308 -1.2 0 N-CA-C 107.075 -1.454 . . . . 0.0 107.075 179.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 57.7 m -104.51 146.05 29.42 Favored 'General case' 0 C--N 1.292 -1.912 0 C-N-CA 119.95 -0.7 . . . . 0.0 111.911 -177.153 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 91.2 mt -128.0 130.0 47.64 Favored 'General case' 0 N--CA 1.435 -1.196 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.704 -179.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 86.3 m -108.92 117.38 34.04 Favored 'General case' 0 C--N 1.291 -1.946 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 172.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 76.9 mtm180 -114.71 97.25 6.16 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.534 -174.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 54.6 42.47 31.26 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-O 122.245 1.021 . . . . 0.0 110.176 177.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.84 -27.8 18.82 Favored Glycine 0 N--CA 1.437 -1.294 0 CA-C-N 115.105 -0.952 . . . . 0.0 112.857 179.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -84.04 104.05 13.78 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 120.936 0.398 . . . . 0.0 110.802 -178.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 62.8 m -97.22 134.94 39.86 Favored 'General case' 0 C--N 1.297 -1.701 0 CA-C-O 121.779 0.8 . . . . 0.0 111.126 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -149.0 136.93 20.66 Favored 'General case' 0 C--N 1.28 -2.414 0 CA-C-N 114.148 -1.387 . . . . 0.0 108.294 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 63.7 m -97.05 136.25 37.87 Favored 'General case' 0 N--CA 1.426 -1.638 0 C-N-CA 119.633 -0.827 . . . . 0.0 109.963 177.042 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.7 tp -123.0 137.71 55.53 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.099 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.281 -174.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 61.8 m . . . . . 0 C--N 1.29 -1.997 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 176.657 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 84.4 m . . . . . 0 N--CA 1.442 -0.872 0 CA-C-O 121.18 0.514 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.6 ptt180 -130.62 136.03 48.46 Favored 'General case' 0 C--N 1.286 -2.176 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 178.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 57.8 m -113.06 149.71 33.05 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 -171.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -127.39 129.93 48.45 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 114.92 -1.037 . . . . 0.0 109.996 178.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 90.9 m -116.84 112.75 21.53 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 172.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 77.2 mtm180 -118.08 98.05 6.12 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.015 -173.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.6 tpt180 58.34 32.49 22.13 Favored 'General case' 0 CA--C 1.555 1.154 0 CA-C-O 122.178 0.99 . . . . 0.0 110.497 176.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.08 -25.75 12.32 Favored Glycine 0 N--CA 1.444 -0.83 0 CA-C-N 115.259 -0.882 . . . . 0.0 112.311 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -79.99 94.53 5.93 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 120.637 0.256 . . . . 0.0 110.807 -178.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 79.3 m -94.55 131.3 40.43 Favored 'General case' 0 CA--C 1.479 -1.779 0 CA-C-O 121.457 0.646 . . . . 0.0 109.656 175.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.2 ttp180 -155.04 134.94 12.9 Favored 'General case' 0 C--N 1.272 -2.79 0 CA-C-N 114.426 -1.261 . . . . 0.0 109.108 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 82.0 m -101.0 141.36 34.01 Favored 'General case' 0 C--N 1.297 -1.694 0 C-N-CA 120.717 -0.393 . . . . 0.0 111.059 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.5 mm -114.08 119.31 60.87 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.994 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -179.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 70.0 m . . . . . 0 C--N 1.294 -1.811 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 176.918 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 84.3 m . . . . . 0 N--CA 1.441 -0.899 0 CA-C-O 121.547 0.689 . . . . 0.0 112.39 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -131.68 130.28 41.83 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 172.003 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 57.4 m -106.27 144.08 33.49 Favored 'General case' 0 C--N 1.291 -1.969 0 C-N-CA 119.241 -0.984 . . . . 0.0 111.347 -176.195 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 67.7 tp -134.62 128.94 34.12 Favored 'General case' 0 C--N 1.296 -1.745 0 CA-C-N 114.806 -1.088 . . . . 0.0 109.975 -178.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 75.2 m -102.14 112.71 25.49 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 173.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -116.87 103.44 10.3 Favored 'General case' 0 C--N 1.295 -1.797 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.909 -176.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 53.8 ttt180 65.67 21.95 11.62 Favored 'General case' 0 CA--C 1.558 1.276 0 CA-C-O 121.968 0.89 . . . . 0.0 111.394 174.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.87 -15.88 33.75 Favored Glycine 0 C--N 1.304 -1.211 0 N-CA-C 111.364 -0.695 . . . . 0.0 111.364 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -88.62 99.3 12.22 Favored 'General case' 0 C--N 1.312 -1.048 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 178.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 78.9 m -87.96 129.55 35.21 Favored 'General case' 0 C--N 1.294 -1.827 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 175.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 -147.81 148.57 31.05 Favored 'General case' 0 C--N 1.269 -2.914 0 CA-C-N 114.509 -1.223 . . . . 0.0 107.808 -174.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 61.9 m -112.44 135.67 52.86 Favored 'General case' 0 N--CA 1.404 -2.733 0 C-N-CA 119.314 -0.954 . . . . 0.0 110.85 177.661 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.4 mm -99.04 111.22 28.06 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.518 0 N-CA-C 106.402 -1.703 . . . . 0.0 106.402 177.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 80.5 m . . . . . 0 C--N 1.29 -1.987 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.44 -178.434 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 86.2 m . . . . . 0 N--CA 1.437 -1.106 0 CA-C-O 121.042 0.449 . . . . 0.0 110.131 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 46.2 ttt85 -133.92 126.04 29.53 Favored 'General case' 0 C--N 1.287 -2.122 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 173.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 60.7 m -100.19 150.84 22.11 Favored 'General case' 0 C--N 1.301 -1.52 0 C-N-CA 119.558 -0.857 . . . . 0.0 113.009 -174.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 pp -137.49 150.94 47.94 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 114.927 -1.033 . . . . 0.0 110.122 178.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 71.0 m -122.14 124.83 44.79 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-O 121.265 0.555 . . . . 0.0 110.923 177.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -125.22 105.11 8.89 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.989 -177.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' A' ' 9' ' ' ARG . 73.7 ttt180 54.19 44.19 29.5 Favored 'General case' 0 CA--C 1.557 1.215 0 CA-C-O 122.367 1.08 . . . . 0.0 111.519 177.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.32 -5.4 83.35 Favored Glycine 0 C--N 1.31 -0.888 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.71 178.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -102.57 103.73 14.08 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 178.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 61.7 m -93.81 132.75 37.91 Favored 'General case' 0 C--N 1.29 -1.983 0 CA-C-O 121.719 0.771 . . . . 0.0 109.727 178.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.4 ttt180 -134.9 143.94 47.23 Favored 'General case' 0 C--N 1.276 -2.621 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 -178.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 68.2 m -110.19 136.69 49.01 Favored 'General case' 0 N--CA 1.409 -2.509 0 C-N-CA 119.461 -0.896 . . . . 0.0 110.514 178.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.5 mm -98.92 101.66 12.39 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.389 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.1 m . . . . . 0 C--N 1.296 -1.746 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 177.475 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 76.8 m . . . . . 0 N--CA 1.433 -1.276 0 CA-C-O 121.507 0.67 . . . . 0.0 112.117 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 46.5 mtp180 -128.19 120.08 26.53 Favored 'General case' 0 C--N 1.291 -1.947 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 177.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 61.3 m -96.06 151.88 19.05 Favored 'General case' 0 C--N 1.281 -2.4 0 C-N-CA 120.485 -0.486 . . . . 0.0 111.533 -176.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 66.2 tp -136.21 140.67 43.7 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.941 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 69.8 m -121.27 119.63 32.78 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 174.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -134.31 131.42 38.34 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 62.23 27.19 16.32 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 124.627 1.171 . . . . 0.0 110.801 177.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.67 15.25 68.57 Favored Glycine 0 N--CA 1.441 -1.03 0 CA-C-N 115.333 -0.849 . . . . 0.0 112.198 179.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -121.11 120.97 36.85 Favored 'General case' 0 C--N 1.308 -1.23 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 84.1 m -101.93 137.41 40.26 Favored 'General case' 0 C--N 1.296 -1.746 0 CA-C-O 121.742 0.782 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.5 ptt180 -151.46 149.52 29.35 Favored 'General case' 0 C--N 1.281 -2.392 0 CA-C-N 114.649 -1.159 . . . . 0.0 108.911 -178.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 73.3 m -113.96 142.79 45.7 Favored 'General case' 0 C--N 1.297 -1.692 0 C-N-CA 119.713 -0.795 . . . . 0.0 112.229 -177.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.1 mp -121.44 135.68 60.8 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.184 0 N-CA-C 107.132 -1.433 . . . . 0.0 107.132 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.2 m . . . . . 0 C--N 1.303 -1.445 0 CA-C-O 121.417 0.627 . . . . 0.0 111.358 -178.41 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 63.3 m . . . . . 0 N--CA 1.43 -1.431 0 CA-C-O 121.267 0.556 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 22.2 tpp180 -131.06 143.26 50.55 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 105.789 -1.93 . . . . 0.0 105.789 175.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 51.5 m -100.87 144.77 29.41 Favored 'General case' 0 N--CA 1.419 -2.022 0 C-N-CA 118.77 -1.172 . . . . 0.0 111.732 -178.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 63.3 tp -134.87 139.94 45.42 Favored 'General case' 0 C--N 1.295 -1.762 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -176.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.6 m -112.08 124.85 53.32 Favored 'General case' 0 C--N 1.28 -2.442 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 178.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -108.97 103.23 12.23 Favored 'General case' 0 N--CA 1.421 -1.907 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.692 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.9 tpp180 55.71 40.69 30.84 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 124.256 1.022 . . . . 0.0 112.116 174.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.75 -14.96 53.03 Favored Glycine 0 N--CA 1.442 -0.929 0 C-N-CA 120.279 -0.962 . . . . 0.0 113.03 177.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -101.2 111.85 24.18 Favored 'General case' 0 CA--C 1.5 -0.978 0 CA-C-N 117.229 0.514 . . . . 0.0 111.306 178.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 76.1 m -89.41 130.76 35.71 Favored 'General case' 0 C--N 1.295 -1.771 0 CA-C-O 122.112 0.958 . . . . 0.0 110.731 177.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -142.38 161.9 36.85 Favored 'General case' 0 C--N 1.274 -2.716 0 CA-C-N 113.908 -1.497 . . . . 0.0 107.239 -175.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 49.3 m -121.55 134.48 55.03 Favored 'General case' 0 C--N 1.291 -1.966 0 C-N-CA 118.836 -1.146 . . . . 0.0 111.465 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.0 mt -109.84 132.21 58.7 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 CA-C-N 114.768 -1.105 . . . . 0.0 108.286 -176.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 59.9 m . . . . . 0 C--N 1.296 -1.738 0 CA-C-O 121.177 0.513 . . . . 0.0 110.573 -176.887 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.1 m . . . . . 0 N--CA 1.436 -1.158 0 CA-C-O 121.07 0.462 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 19.8 ptp180 -136.62 138.83 41.59 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 58.8 m -101.86 132.65 47.51 Favored 'General case' 0 C--N 1.278 -2.521 0 C-N-CA 118.909 -1.116 . . . . 0.0 109.494 176.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.1 mt -123.79 140.02 53.4 Favored 'General case' 0 C--N 1.278 -2.517 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.006 -174.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 85.9 m -122.39 114.72 21.13 Favored 'General case' 0 C--N 1.28 -2.425 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 177.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 48.6 ttp180 -101.89 101.59 12.05 Favored 'General case' 0 C--N 1.293 -1.862 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 46.7 ttp180 49.34 51.43 16.34 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 113.762 -1.563 . . . . 0.0 111.484 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.07 -32.39 7.58 Favored Glycine 0 N--CA 1.436 -1.313 0 CA-C-N 115.424 -0.807 . . . . 0.0 113.709 178.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -86.33 110.55 19.75 Favored 'General case' 0 C--O 1.244 0.764 0 CA-C-N 117.67 0.735 . . . . 0.0 110.402 -176.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 69.0 m -100.13 142.93 30.94 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-O 121.426 0.632 . . . . 0.0 112.464 -176.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -156.41 151.16 25.94 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-N 115.016 -0.993 . . . . 0.0 108.667 174.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 59.1 m -104.14 126.12 51.0 Favored 'General case' 0 N--CA 1.426 -1.674 0 C-N-CA 119.601 -0.84 . . . . 0.0 110.792 179.186 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.9 mt -116.7 133.82 62.16 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.344 0 CA-C-N 114.294 -1.321 . . . . 0.0 109.148 -175.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 55.7 m . . . . . 0 C--N 1.293 -1.869 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.412 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.8 m . . . . . 0 N--CA 1.434 -1.226 0 CA-C-O 120.783 0.325 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 46.8 ttp180 -107.05 145.63 32.14 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 106.124 -1.806 . . . . 0.0 106.124 174.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 40.2 m -112.95 141.89 46.26 Favored 'General case' 0 N--CA 1.411 -2.404 0 C-N-CA 118.634 -1.226 . . . . 0.0 111.799 -177.124 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.4 tp -113.99 117.58 31.74 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-N 114.512 -1.222 . . . . 0.0 109.947 -179.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 72.7 m -95.33 122.67 38.28 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.838 178.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.4 mtp180 -129.26 110.06 11.65 Favored 'General case' 0 C--O 1.251 1.159 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 60.74 31.26 20.09 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-O 122.468 1.128 . . . . 0.0 110.157 177.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.33 -24.6 31.56 Favored Glycine 0 N--CA 1.435 -1.425 0 CA-C-N 115.301 -0.863 . . . . 0.0 112.745 178.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -90.2 114.95 27.03 Favored 'General case' 0 CA--C 1.505 -0.757 0 CA-C-O 121.106 0.479 . . . . 0.0 110.008 -178.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 31.0 m -100.37 129.58 46.36 Favored 'General case' 0 C--N 1.299 -1.599 0 CA-C-O 121.52 0.676 . . . . 0.0 110.709 -178.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -122.85 138.54 54.62 Favored 'General case' 0 C--N 1.286 -2.159 0 CA-C-N 114.409 -1.269 . . . . 0.0 108.071 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 46.5 m -105.89 134.76 48.49 Favored 'General case' 0 C--N 1.294 -1.842 0 C-N-CA 119.339 -0.944 . . . . 0.0 112.91 -176.532 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.5 mp -106.74 125.78 62.67 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 CA-C-N 114.593 -1.185 . . . . 0.0 108.132 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 59.9 m . . . . . 0 C--N 1.31 -1.129 0 CA-C-O 121.385 0.612 . . . . 0.0 111.693 -178.278 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.6 m . . . . . 0 N--CA 1.439 -0.986 0 CA-C-O 120.939 0.399 . . . . 0.0 110.467 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.9 ptp85 -147.53 144.81 28.79 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 177.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 78.2 m -108.76 143.35 38.02 Favored 'General case' 0 C--N 1.289 -2.055 0 C-N-CA 119.472 -0.891 . . . . 0.0 109.364 175.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 51.7 tp -134.05 143.24 47.93 Favored 'General case' 0 C--N 1.285 -2.228 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.652 -173.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 75.2 m -124.3 128.28 48.9 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 176.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 83.3 mtm180 -134.52 112.47 10.92 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.913 178.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.0 tpp180 59.43 35.32 22.93 Favored 'General case' 0 C--N 1.314 -0.971 0 C-N-CA 124.873 1.269 . . . . 0.0 111.755 173.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.49 -6.13 67.85 Favored Glycine 0 C--O 1.242 0.656 0 C-N-CA 120.808 -0.711 . . . . 0.0 113.071 177.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -103.36 107.32 18.1 Favored 'General case' 0 C--N 1.308 -1.208 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 178.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 78.7 m -98.53 132.78 43.68 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-O 121.577 0.704 . . . . 0.0 109.984 177.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -140.69 141.96 34.93 Favored 'General case' 0 C--N 1.271 -2.826 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 -176.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 74.0 m -104.32 135.38 45.88 Favored 'General case' 0 C--N 1.29 -1.981 0 C-N-CA 120.07 -0.652 . . . . 0.0 109.745 175.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.9 mp -121.64 121.29 64.09 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.151 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.124 -175.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.7 m . . . . . 0 C--N 1.3 -1.577 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 172.159 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 46.3 m . . . . . 0 N--CA 1.436 -1.125 0 CA-C-O 121.868 0.842 . . . . 0.0 110.581 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -114.74 142.46 46.49 Favored 'General case' 0 C--N 1.28 -2.453 0 CA-C-N 114.132 -1.394 . . . . 0.0 107.489 -177.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 59.4 m -104.71 143.45 33.08 Favored 'General case' 0 N--CA 1.417 -2.101 0 C-N-CA 118.774 -1.17 . . . . 0.0 109.719 176.751 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 pp -130.93 155.8 46.16 Favored 'General case' 0 C--N 1.289 -2.062 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.726 -177.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 74.8 m -131.9 114.1 14.25 Favored 'General case' 0 C--N 1.292 -1.896 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 176.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -120.75 114.4 21.58 Favored 'General case' 0 N--CA 1.423 -1.805 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 -178.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 55.21 46.73 23.18 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 125.178 1.391 . . . . 0.0 110.676 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.6 -22.88 18.62 Favored Glycine 0 N--CA 1.439 -1.116 0 CA-C-N 115.657 -0.701 . . . . 0.0 113.07 177.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -89.97 112.83 24.36 Favored 'General case' 0 C--O 1.247 0.965 0 CA-C-N 116.987 0.393 . . . . 0.0 110.267 -176.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 63.8 m -99.2 134.75 41.6 Favored 'General case' 0 C--N 1.294 -1.832 0 CA-C-O 121.713 0.768 . . . . 0.0 110.323 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.9 tpt180 -146.27 144.55 29.92 Favored 'General case' 0 C--N 1.277 -2.557 0 CA-C-N 114.34 -1.3 . . . . 0.0 107.857 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 69.8 m -99.29 141.7 31.72 Favored 'General case' 0 N--CA 1.415 -2.216 0 C-N-CA 119.958 -0.697 . . . . 0.0 109.398 175.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.5 tp -131.22 130.7 63.48 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.994 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.166 -178.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.4 m . . . . . 0 C--N 1.296 -1.724 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 174.55 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 53.0 m . . . . . 0 N--CA 1.432 -1.346 0 CA-C-O 121.216 0.532 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -129.41 139.14 51.75 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 -179.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 47.2 m -97.78 141.21 31.06 Favored 'General case' 0 N--CA 1.421 -1.912 0 CA-C-O 121.796 0.808 . . . . 0.0 111.983 -178.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 39.4 tp -105.79 119.18 38.49 Favored 'General case' 0 C--N 1.292 -1.923 0 N-CA-C 106.857 -1.534 . . . . 0.0 106.857 179.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 73.9 m -114.73 136.4 53.1 Favored 'General case' 0 C--N 1.289 -2.032 0 CA-C-O 120.818 0.342 . . . . 0.0 111.046 -178.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -143.57 111.32 6.01 Favored 'General case' 0 N--CA 1.433 -1.292 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 44.7 ttp180 56.07 44.42 25.38 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-O 122.386 1.089 . . . . 0.0 110.398 179.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.12 -17.44 37.44 Favored Glycine 0 N--CA 1.439 -1.142 0 CA-C-N 115.067 -0.97 . . . . 0.0 113.424 177.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -90.12 112.03 23.36 Favored 'General case' 0 CA--C 1.504 -0.826 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 -178.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 78.6 m -105.19 135.46 46.5 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 121.609 0.718 . . . . 0.0 111.471 -178.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -124.94 121.4 34.36 Favored 'General case' 0 C--N 1.287 -2.142 0 N-CA-C 106.547 -1.649 . . . . 0.0 106.547 179.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 60.5 m -95.06 132.56 39.82 Favored 'General case' 0 C--N 1.298 -1.632 0 C-N-CA 119.298 -0.961 . . . . 0.0 112.455 -177.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.2 mm -124.64 128.13 73.26 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 CA-C-N 114.523 -1.217 . . . . 0.0 109.721 -174.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.2 m . . . . . 0 N--CA 1.427 -1.625 0 CA-C-O 121.747 0.784 . . . . 0.0 111.189 177.837 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 83.0 m . . . . . 0 N--CA 1.433 -1.308 0 CA-C-O 121.089 0.471 . . . . 0.0 111.626 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -132.86 131.34 40.86 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 177.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 64.5 m -100.83 131.56 46.65 Favored 'General case' 0 C--N 1.278 -2.508 0 C-N-CA 118.626 -1.229 . . . . 0.0 109.453 174.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 91.4 mt -125.2 148.29 48.69 Favored 'General case' 0 C--N 1.272 -2.766 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.784 -175.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 76.4 m -127.23 122.3 33.6 Favored 'General case' 0 C--N 1.293 -1.887 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 178.013 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.1 mtp180 -120.5 101.26 7.64 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 116.185 -0.462 . . . . 0.0 109.984 -178.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.1 tpp180 66.81 22.46 10.25 Favored 'General case' 0 CA--C 1.554 1.128 0 CA-C-O 122.259 1.028 . . . . 0.0 111.233 174.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.61 -15.35 26.94 Favored Glycine 0 N--CA 1.437 -1.249 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.793 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -86.28 103.02 14.49 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 177.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 77.3 m -96.4 134.49 39.49 Favored 'General case' 0 C--N 1.291 -1.946 0 CA-C-O 121.461 0.648 . . . . 0.0 109.914 177.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -149.5 142.99 25.36 Favored 'General case' 0 C--N 1.281 -2.401 0 CA-C-N 114.56 -1.2 . . . . 0.0 108.498 -177.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 58.9 m -105.95 128.37 53.76 Favored 'General case' 0 C--N 1.301 -1.513 0 C-N-CA 119.39 -0.924 . . . . 0.0 110.271 177.721 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.0 mm -114.67 137.16 48.98 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.43 0 CA-C-N 114.754 -1.112 . . . . 0.0 109.391 -175.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 55.8 m . . . . . 0 C--N 1.308 -1.211 0 CA-C-O 121.358 0.599 . . . . 0.0 110.413 178.945 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.756 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -115.15 140.16 49.31 Favored 'General case' 0 C--N 1.311 -1.105 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 58.6 m -115.7 130.41 56.84 Favored 'General case' 0 C--N 1.294 -1.841 0 CA-C-O 121.475 0.655 . . . . 0.0 111.183 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -119.75 140.69 50.32 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 107.018 -1.475 . . . . 0.0 107.018 177.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 58.7 m -111.19 151.5 28.14 Favored 'General case' 0 C--N 1.286 -2.16 0 C-N-CA 119.563 -0.855 . . . . 0.0 111.977 -173.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -139.06 154.51 48.21 Favored 'General case' 0 N--CA 1.434 -1.247 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.963 -178.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 76.0 m -121.29 113.38 19.85 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 174.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.421 ' O ' ' HB3' ' A' ' 11' ' ' ASP . 1.3 tmm_? -108.68 98.69 8.16 Favored 'General case' 0 C--N 1.284 -2.249 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.231 -176.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 61.43 34.94 17.94 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.397 1.079 . . . . 0.0 110.528 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.5 -16.3 60.77 Favored Glycine 0 C--N 1.311 -0.829 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.958 -179.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.421 ' HB3' ' O ' ' A' ' 8' ' ' ARG . 23.2 t70 -85.02 96.72 9.49 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 61.5 m -91.1 134.69 34.32 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-O 121.712 0.768 . . . . 0.0 111.035 -179.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -158.56 167.13 30.41 Favored 'General case' 0 C--N 1.292 -1.93 0 CA-C-N 114.383 -1.28 . . . . 0.0 108.603 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 63.2 m -117.75 147.9 42.55 Favored 'General case' 0 C--N 1.298 -1.657 0 C-N-CA 119.984 -0.686 . . . . 0.0 111.437 -179.284 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.4 tt -121.71 133.97 66.49 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.222 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 177.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.7 m -114.38 140.71 48.44 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-O 121.277 0.56 . . . . 0.0 111.361 -177.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.5 t -158.15 142.1 15.67 Favored 'General case' 0 N--CA 1.427 -1.619 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 178.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.483 ' HG2' ' O ' ' A' ' 18' ' ' ARG . 64.5 ttt180 . . . . . 0 CA--C 1.558 1.258 0 C-N-CA 124.524 1.129 . . . . 0.0 111.525 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.481 0 CA-C-O 120.545 -0.03 . . . . 0.0 113.107 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -88.62 136.13 33.15 Favored 'General case' 0 C--N 1.307 -1.24 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 -179.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 45.9 m -125.88 128.53 47.74 Favored 'General case' 0 C--N 1.293 -1.859 0 CA-C-O 121.16 0.505 . . . . 0.0 110.761 -178.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.2 ppt_? -126.22 143.26 51.21 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 176.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 38.8 m -102.12 141.1 35.5 Favored 'General case' 0 C--N 1.289 -2.039 0 C-N-CA 119.311 -0.956 . . . . 0.0 112.13 -173.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.454 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 50.3 tp -129.64 140.06 51.26 Favored 'General case' 0 C--N 1.297 -1.716 0 CA-C-N 114.826 -1.079 . . . . 0.0 109.952 -175.505 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 66.9 m -104.83 111.3 23.99 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 172.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -118.62 108.08 14.5 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-N 115.171 -0.922 . . . . 0.0 108.578 -174.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 55.18 44.13 28.24 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-O 122.796 1.284 . . . . 0.0 110.478 -179.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.06 -27.24 15.47 Favored Glycine 0 N--CA 1.43 -1.735 0 CA-C-N 115.09 -0.959 . . . . 0.0 113.263 178.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -89.51 113.34 24.71 Favored 'General case' 0 CA--C 1.493 -1.212 0 C-N-CA 120.044 -0.662 . . . . 0.0 110.804 -175.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.454 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 39.0 m -89.6 120.77 31.19 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 175.062 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.2 tpp180 -134.46 148.78 50.66 Favored 'General case' 0 C--N 1.267 -3.006 0 N-CA-C 106.679 -1.6 . . . . 0.0 106.679 -174.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 56.9 m -105.0 128.84 53.47 Favored 'General case' 0 C--N 1.289 -2.05 0 C-N-CA 118.999 -1.08 . . . . 0.0 111.368 179.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.4 mm -103.6 120.2 53.3 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.004 0 CA-C-N 114.299 -1.319 . . . . 0.0 108.863 -175.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 75.4 m -101.98 143.04 32.34 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-O 121.055 0.455 . . . . 0.0 110.201 178.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.5 m -151.52 125.53 9.2 Favored 'General case' 0 C--N 1.298 -1.664 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 177.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 55.9 ttp180 . . . . . 0 CA--C 1.56 1.353 0 C-N-CA 125.3 1.44 . . . . 0.0 111.645 -178.63 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.434 0 N-CA-C 113.159 0.024 . . . . 0.0 113.159 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -83.81 123.21 29.65 Favored 'General case' 0 CA--C 1.498 -1.04 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -178.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.0 m -112.65 131.81 55.46 Favored 'General case' 0 C--N 1.275 -2.647 0 CA-C-O 121.45 0.643 . . . . 0.0 110.997 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 41.4 ptt85 -134.28 129.96 36.36 Favored 'General case' 0 C--N 1.285 -2.209 0 CA-C-N 114.643 -1.162 . . . . 0.0 108.471 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 72.0 m -98.12 154.0 18.05 Favored 'General case' 0 C--N 1.283 -2.287 0 C-N-CA 119.973 -0.691 . . . . 0.0 110.127 177.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.2 tp -146.19 128.25 15.58 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-O 120.965 0.412 . . . . 0.0 110.998 -178.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 71.1 m -94.29 109.49 21.3 Favored 'General case' 0 N--CA 1.429 -1.485 0 CA-C-O 121.656 0.741 . . . . 0.0 109.128 171.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 20.3 tpt180 -119.21 120.79 38.08 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 113.918 -1.492 . . . . 0.0 108.434 -174.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 64.2 ttt180 61.44 29.72 18.58 Favored 'General case' 0 CA--C 1.562 1.432 0 CA-C-O 122.535 1.16 . . . . 0.0 110.383 178.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.44 -11.0 57.61 Favored Glycine 0 C--O 1.244 0.751 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.421 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -100.64 120.35 39.92 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 -177.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.8 m -96.33 132.0 42.28 Favored 'General case' 0 C--N 1.291 -1.944 0 CA-C-O 121.372 0.606 . . . . 0.0 111.119 -175.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -134.3 158.34 44.02 Favored 'General case' 0 C--N 1.294 -1.826 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 -178.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 79.7 m -120.15 143.52 48.16 Favored 'General case' 0 C--N 1.287 -2.129 0 C-N-CA 119.574 -0.85 . . . . 0.0 110.037 176.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.7 mp -124.47 119.67 57.02 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.77 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.096 -178.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.0 m -106.45 139.5 40.84 Favored 'General case' 0 C--N 1.292 -1.899 0 N-CA-C 109.063 -0.718 . . . . 0.0 109.063 174.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.3 m -146.39 117.45 7.78 Favored 'General case' 0 C--N 1.28 -2.446 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -179.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.435 ' HG2' ' O ' ' A' ' 18' ' ' ARG . 32.8 ttp180 . . . . . 0 C--N 1.307 -1.272 0 C-N-CA 125.076 1.351 . . . . 0.0 110.904 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.23 0 CA-C-O 120.231 -0.205 . . . . 0.0 113.278 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -99.91 139.75 35.13 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 -177.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.7 m -103.85 119.55 39.16 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-O 122.223 1.011 . . . . 0.0 111.132 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -117.2 139.15 51.14 Favored 'General case' 0 C--N 1.284 -2.247 0 CA-C-N 114.179 -1.373 . . . . 0.0 108.071 -176.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.444 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 16.8 m -94.57 144.36 25.65 Favored 'General case' 0 CA--C 1.481 -1.687 0 C-N-CA 118.623 -1.231 . . . . 0.0 113.245 179.141 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -124.55 130.39 52.36 Favored 'General case' 0 C--N 1.28 -2.422 0 CA-C-N 113.187 -1.824 . . . . 0.0 108.039 178.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 11' ' ' ASP . 81.2 m -112.96 135.26 53.92 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-O 121.007 0.432 . . . . 0.0 110.644 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -131.03 99.67 4.97 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 108.779 -0.822 . . . . 0.0 108.779 176.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 52.36 55.15 9.55 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 124.351 1.06 . . . . 0.0 110.323 178.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.29 -32.07 6.23 Favored Glycine 0 N--CA 1.442 -0.945 0 CA-C-N 115.497 -0.774 . . . . 0.0 112.699 179.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.423 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 16.7 t70 -75.37 97.62 3.66 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-O 121.129 0.49 . . . . 0.0 110.787 -177.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.2 m -102.45 127.18 49.59 Favored 'General case' 0 C--N 1.287 -2.112 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.56 177.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -145.06 149.64 35.43 Favored 'General case' 0 C--N 1.27 -2.863 0 CA-C-N 114.416 -1.265 . . . . 0.0 108.101 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.444 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 4.1 m -95.13 140.24 30.34 Favored 'General case' 0 CA--C 1.478 -1.797 0 CA-C-O 122.392 1.091 . . . . 0.0 113.001 178.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.5 mt -119.98 130.57 74.08 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.646 0 CA-C-N 112.849 -1.978 . . . . 0.0 106.629 176.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 15.4 m -102.0 137.25 40.53 Favored 'General case' 0 C--N 1.287 -2.113 0 C-N-CA 119.593 -0.843 . . . . 0.0 110.187 -179.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.8 m -145.81 135.87 23.69 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 178.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.417 ' HG2' ' O ' ' A' ' 18' ' ' ARG . 56.9 ttt180 . . . . . 0 CA--C 1.549 0.925 0 C-N-CA 124.213 1.005 . . . . 0.0 109.927 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.363 0 N-CA-C 115.226 0.85 . . . . 0.0 115.226 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -121.21 130.56 53.76 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 118.014 0.907 . . . . 0.0 109.38 177.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 76.7 m -117.8 138.17 52.25 Favored 'General case' 0 C--N 1.29 -1.996 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.548 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.4 ttp180 -139.15 137.4 36.06 Favored 'General case' 0 C--N 1.29 -1.981 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 62.5 m -111.17 146.07 37.54 Favored 'General case' 0 C--N 1.298 -1.655 0 C-N-CA 119.151 -1.02 . . . . 0.0 112.678 -175.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -120.54 131.08 54.51 Favored 'General case' 0 C--N 1.291 -1.958 0 N-CA-C 106.196 -1.779 . . . . 0.0 106.196 178.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 82.0 m -121.64 134.68 54.99 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-O 120.577 0.227 . . . . 0.0 111.07 -177.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 75.8 mtm180 -136.53 108.31 7.06 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 61.97 34.27 16.84 Favored 'General case' 0 CA--C 1.563 1.464 0 CA-C-O 122.355 1.074 . . . . 0.0 110.032 175.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.38 -18.21 55.19 Favored Glycine 0 C--N 1.315 -0.62 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.155 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -80.09 104.07 10.4 Favored 'General case' 0 CA--C 1.494 -1.174 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 85.9 m -101.23 134.92 43.54 Favored 'General case' 0 N--CA 1.418 -2.054 0 CA-C-O 122.023 0.916 . . . . 0.0 109.925 177.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.2 ttm180 -132.41 132.18 42.55 Favored 'General case' 0 C--N 1.265 -3.087 0 N-CA-C 106.061 -1.829 . . . . 0.0 106.061 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 57.9 m -110.53 134.89 51.96 Favored 'General case' 0 C--N 1.279 -2.468 0 C-N-CA 119.348 -0.941 . . . . 0.0 111.689 -174.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.2 tt -107.26 115.63 49.06 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.325 0 CA-C-N 114.397 -1.274 . . . . 0.0 109.909 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 62.3 m -107.69 137.61 45.41 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 176.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.9 m -145.14 126.86 15.25 Favored 'General case' 0 C--N 1.281 -2.392 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 176.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.8 tpt180 . . . . . 0 C--N 1.31 -1.152 0 C-N-CA 126.567 1.947 . . . . 0.0 113.652 -178.911 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.545 0 CA-C-O 120.528 -0.04 . . . . 0.0 113.195 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -121.94 143.63 49.35 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 62.4 m -125.96 140.89 52.25 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-O 121.324 0.583 . . . . 0.0 112.561 -176.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 37.8 mmt180 -130.2 148.31 52.02 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 105.898 -1.89 . . . . 0.0 105.898 170.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 80.3 m -109.41 151.47 26.63 Favored 'General case' 0 C--N 1.296 -1.736 0 C-N-CA 119.198 -1.001 . . . . 0.0 112.759 -177.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 35.1 tp -135.6 129.02 32.26 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 124.31 1.044 . . . . 0.0 110.242 -174.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 72.7 m -105.0 118.0 35.42 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-O 121.003 0.43 . . . . 0.0 110.846 177.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.488 ' HA ' ' NE ' ' A' ' 8' ' ' ARG . 3.9 mmp_? -114.78 101.16 8.8 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.064 178.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 54.72 43.69 29.71 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-O 122.677 1.227 . . . . 0.0 110.705 177.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.14 -27.12 19.81 Favored Glycine 0 N--CA 1.443 -0.837 0 CA-C-N 114.763 -1.108 . . . . 0.0 113.136 178.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -82.99 102.47 11.76 Favored 'General case' 0 CA--C 1.503 -0.851 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 -179.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 59.6 m -92.09 122.13 34.3 Favored 'General case' 0 N--CA 1.425 -1.721 0 CA-C-O 122.192 0.996 . . . . 0.0 109.981 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 55.2 mtp85 -122.82 165.23 16.95 Favored 'General case' 0 C--N 1.265 -3.08 0 CA-C-N 113.111 -1.859 . . . . 0.0 106.598 -174.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 75.3 m -128.58 136.35 50.61 Favored 'General case' 0 N--CA 1.411 -2.403 0 C-N-CA 119.519 -0.872 . . . . 0.0 110.744 177.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.3 mt -99.94 114.84 39.59 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.19 0 CA-C-N 114.455 -1.248 . . . . 0.0 107.804 -178.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.0 m -116.91 132.41 56.71 Favored 'General case' 0 C--N 1.289 -2.055 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 177.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.2 m -155.03 142.5 19.65 Favored 'General case' 0 C--N 1.275 -2.648 0 N-CA-C 106.958 -1.497 . . . . 0.0 106.958 178.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 . . . . . 0 CA--C 1.549 0.928 0 C-N-CA 124.674 1.19 . . . . 0.0 110.488 179.729 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.882 0 CA-C-O 120.438 -0.09 . . . . 0.0 113.304 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -118.47 143.41 46.73 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 122.118 -0.637 . . . . 0.0 109.832 -174.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 35.1 m -92.35 127.83 37.98 Favored 'General case' 0 CA--C 1.496 -1.098 0 CA-C-O 122.509 1.147 . . . . 0.0 113.802 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -125.63 155.65 40.45 Favored 'General case' 0 C--N 1.28 -2.45 0 N-CA-C 104.582 -2.377 . . . . 0.0 104.582 178.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 10.9 m -114.53 135.21 54.38 Favored 'General case' 0 N--CA 1.412 -2.367 0 C-N-CA 117.931 -1.508 . . . . 0.0 111.946 -174.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.9 mp -120.94 149.67 42.28 Favored 'General case' 0 C--N 1.298 -1.657 0 CA-C-N 114.576 -1.193 . . . . 0.0 109.465 -178.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 55.8 m -111.7 129.41 56.11 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-O 121.477 0.656 . . . . 0.0 111.421 -178.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -124.69 101.23 7.01 Favored 'General case' 0 N--CA 1.434 -1.272 0 CA-C-N 114.781 -1.1 . . . . 0.0 109.93 178.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 60.97 40.6 15.16 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 122.511 1.148 . . . . 0.0 110.23 176.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.97 -17.48 59.21 Favored Glycine 0 N--CA 1.436 -1.317 0 CA-C-N 114.676 -1.147 . . . . 0.0 111.977 179.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -87.6 96.05 10.27 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -178.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 59.5 m -87.39 119.69 27.92 Favored 'General case' 0 CA--C 1.471 -2.086 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 176.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.9 ttm-85 -135.27 143.41 46.25 Favored 'General case' 0 C--N 1.257 -3.421 0 CA-C-N 114.303 -1.317 . . . . 0.0 108.273 -173.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 34.9 m -97.02 136.92 36.89 Favored 'General case' 0 C--N 1.285 -2.23 0 C-N-CA 119.116 -1.033 . . . . 0.0 111.687 -175.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.7 tp -133.0 145.48 34.1 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.064 0 CA-C-N 114.711 -1.131 . . . . 0.0 109.288 -179.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 53.7 m -96.64 136.29 37.37 Favored 'General case' 0 CA--C 1.48 -1.742 0 CA-C-O 122.357 1.075 . . . . 0.0 110.391 176.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.0 m -141.92 138.47 32.05 Favored 'General case' 0 C--N 1.265 -3.072 0 N-CA-C 104.627 -2.36 . . . . 0.0 104.627 177.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.468 ' HG2' ' O ' ' A' ' 18' ' ' ARG . 65.2 ttt180 . . . . . 0 CA--C 1.568 1.648 0 CA-C-O 121.99 0.9 . . . . 0.0 110.579 -177.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.572 0 N-CA-C 112.289 -0.324 . . . . 0.0 112.289 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -125.45 146.67 49.52 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 -178.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 82.2 m -112.88 120.41 41.34 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-O 121.663 0.744 . . . . 0.0 110.48 176.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -111.63 135.1 52.68 Favored 'General case' 0 C--N 1.283 -2.313 0 N-CA-C 106.811 -1.552 . . . . 0.0 106.811 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 58.7 m -111.62 148.55 33.1 Favored 'General case' 0 C--N 1.286 -2.183 0 C-N-CA 119.095 -1.042 . . . . 0.0 112.348 -174.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.7 mt -133.71 159.69 39.8 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-N 114.937 -1.028 . . . . 0.0 108.483 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 62.2 m -129.3 132.88 47.24 Favored 'General case' 0 C--N 1.293 -1.873 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 175.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -145.88 142.18 28.53 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 107.505 -1.294 . . . . 0.0 107.505 178.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.416 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 37.7 ttp180 66.94 10.54 7.73 Favored 'General case' 0 N--CA 1.493 1.706 0 CA-C-O 121.584 0.707 . . . . 0.0 111.162 177.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.0 12.24 83.59 Favored Glycine 0 C--N 1.315 -0.603 0 N-CA-C 109.977 -1.249 . . . . 0.0 109.977 -173.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -113.19 109.57 18.99 Favored 'General case' 0 C--N 1.307 -1.25 0 C-N-CA 125.004 1.322 . . . . 0.0 107.83 -177.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.3 m -84.92 138.41 32.53 Favored 'General case' 0 C--N 1.297 -1.7 0 C-N-CA 119.808 -0.757 . . . . 0.0 110.59 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -142.08 138.96 32.1 Favored 'General case' 0 C--N 1.283 -2.313 0 CA-C-N 115.137 -0.938 . . . . 0.0 108.714 -171.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 79.5 m -109.39 140.35 43.21 Favored 'General case' 0 C--N 1.284 -2.248 0 C-N-CA 119.621 -0.831 . . . . 0.0 111.337 -179.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.6 mm -110.84 125.28 68.14 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.139 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 62.4 m -115.24 128.1 55.92 Favored 'General case' 0 C--N 1.293 -1.874 0 CA-C-O 121.255 0.55 . . . . 0.0 109.944 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.5 t -166.02 150.62 8.18 Favored 'General case' 0 C--N 1.279 -2.457 0 CA-C-N 114.701 -1.136 . . . . 0.0 108.064 -176.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.8 ttm180 . . . . . 0 CA--C 1.552 1.026 0 C-N-CA 124.64 1.176 . . . . 0.0 110.043 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.069 0 CA-C-O 120.437 -0.09 . . . . 0.0 112.882 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -95.43 135.89 36.49 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 47.7 m -113.07 143.89 43.56 Favored 'General case' 0 C--N 1.293 -1.861 0 CA-C-O 121.19 0.519 . . . . 0.0 111.612 -176.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 19.1 ttp85 -148.26 146.54 28.67 Favored 'General case' 0 C--N 1.308 -1.2 0 N-CA-C 107.075 -1.454 . . . . 0.0 107.075 179.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 57.7 m -104.51 146.05 29.42 Favored 'General case' 0 C--N 1.292 -1.912 0 C-N-CA 119.95 -0.7 . . . . 0.0 111.911 -177.153 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 91.2 mt -128.0 130.0 47.64 Favored 'General case' 0 N--CA 1.435 -1.196 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.704 -179.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 86.3 m -108.92 117.38 34.04 Favored 'General case' 0 C--N 1.291 -1.946 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 172.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 76.9 mtm180 -114.71 97.25 6.16 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.534 -174.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 54.6 42.47 31.26 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-O 122.245 1.021 . . . . 0.0 110.176 177.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.84 -27.8 18.82 Favored Glycine 0 N--CA 1.437 -1.294 0 CA-C-N 115.105 -0.952 . . . . 0.0 112.857 179.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -84.04 104.05 13.78 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 120.936 0.398 . . . . 0.0 110.802 -178.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 62.8 m -97.22 134.94 39.86 Favored 'General case' 0 C--N 1.297 -1.701 0 CA-C-O 121.779 0.8 . . . . 0.0 111.126 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -149.0 136.93 20.66 Favored 'General case' 0 C--N 1.28 -2.414 0 CA-C-N 114.148 -1.387 . . . . 0.0 108.294 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 63.7 m -97.05 136.25 37.87 Favored 'General case' 0 N--CA 1.426 -1.638 0 C-N-CA 119.633 -0.827 . . . . 0.0 109.963 177.042 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.7 tp -123.0 137.71 55.53 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.099 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.281 -174.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 61.8 m -111.72 139.1 47.47 Favored 'General case' 0 C--N 1.29 -1.997 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 176.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.2 t -144.16 124.32 13.7 Favored 'General case' 0 N--CA 1.417 -2.08 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.538 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 . . . . . 0 CA--C 1.554 1.124 0 C-N-CA 125.305 1.442 . . . . 0.0 110.474 -178.471 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.624 0 N-CA-C 112.077 -0.409 . . . . 0.0 112.077 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -102.69 142.86 33.14 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 -179.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 84.4 m -121.15 128.61 52.67 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-O 121.18 0.514 . . . . 0.0 110.86 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.6 ptt180 -130.62 136.03 48.46 Favored 'General case' 0 C--N 1.286 -2.176 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 178.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 57.8 m -113.06 149.71 33.05 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 -171.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -127.39 129.93 48.45 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 114.92 -1.037 . . . . 0.0 109.996 178.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 90.9 m -116.84 112.75 21.53 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 172.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 77.2 mtm180 -118.08 98.05 6.12 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.015 -173.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.6 tpt180 58.34 32.49 22.13 Favored 'General case' 0 CA--C 1.555 1.154 0 CA-C-O 122.178 0.99 . . . . 0.0 110.497 176.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.08 -25.75 12.32 Favored Glycine 0 N--CA 1.444 -0.83 0 CA-C-N 115.259 -0.882 . . . . 0.0 112.311 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -79.99 94.53 5.93 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 120.637 0.256 . . . . 0.0 110.807 -178.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 79.3 m -94.55 131.3 40.43 Favored 'General case' 0 CA--C 1.479 -1.779 0 CA-C-O 121.457 0.646 . . . . 0.0 109.656 175.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.2 ttp180 -155.04 134.94 12.9 Favored 'General case' 0 C--N 1.272 -2.79 0 CA-C-N 114.426 -1.261 . . . . 0.0 109.108 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 82.0 m -101.0 141.36 34.01 Favored 'General case' 0 C--N 1.297 -1.694 0 C-N-CA 120.717 -0.393 . . . . 0.0 111.059 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.5 mm -114.08 119.31 60.87 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.994 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -179.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 70.0 m -110.12 131.26 55.22 Favored 'General case' 0 C--N 1.294 -1.811 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 176.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.3 t -154.17 137.85 16.09 Favored 'General case' 0 C--N 1.277 -2.548 0 CA-C-N 114.929 -1.032 . . . . 0.0 108.661 -176.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.421 ' HG2' ' O ' ' A' ' 18' ' ' ARG . 43.2 ttp180 . . . . . 0 CA--C 1.564 1.484 0 C-N-CA 124.131 0.972 . . . . 0.0 110.539 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.56 0 N-CA-C 113.477 0.151 . . . . 0.0 113.477 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -88.99 128.6 35.71 Favored 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 178.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 84.3 m -125.67 139.78 53.27 Favored 'General case' 0 C--N 1.283 -2.299 0 CA-C-O 121.547 0.689 . . . . 0.0 112.39 -177.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -131.68 130.28 41.83 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 172.003 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 57.4 m -106.27 144.08 33.49 Favored 'General case' 0 C--N 1.291 -1.969 0 C-N-CA 119.241 -0.984 . . . . 0.0 111.347 -176.195 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 67.7 tp -134.62 128.94 34.12 Favored 'General case' 0 C--N 1.296 -1.745 0 CA-C-N 114.806 -1.088 . . . . 0.0 109.975 -178.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 75.2 m -102.14 112.71 25.49 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 173.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -116.87 103.44 10.3 Favored 'General case' 0 C--N 1.295 -1.797 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.909 -176.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 53.8 ttt180 65.67 21.95 11.62 Favored 'General case' 0 CA--C 1.558 1.276 0 CA-C-O 121.968 0.89 . . . . 0.0 111.394 174.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.87 -15.88 33.75 Favored Glycine 0 C--N 1.304 -1.211 0 N-CA-C 111.364 -0.695 . . . . 0.0 111.364 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -88.62 99.3 12.22 Favored 'General case' 0 C--N 1.312 -1.048 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 178.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 78.9 m -87.96 129.55 35.21 Favored 'General case' 0 C--N 1.294 -1.827 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 175.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 -147.81 148.57 31.05 Favored 'General case' 0 C--N 1.269 -2.914 0 CA-C-N 114.509 -1.223 . . . . 0.0 107.808 -174.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 61.9 m -112.44 135.67 52.86 Favored 'General case' 0 N--CA 1.404 -2.733 0 C-N-CA 119.314 -0.954 . . . . 0.0 110.85 177.661 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.4 mm -99.04 111.22 28.06 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.518 0 N-CA-C 106.402 -1.703 . . . . 0.0 106.402 177.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 80.5 m -117.55 144.15 45.4 Favored 'General case' 0 C--N 1.29 -1.987 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.44 -178.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.0 t -149.24 123.08 9.31 Favored 'General case' 0 N--CA 1.41 -2.465 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.126 177.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.1 tpp180 . . . . . 0 C--N 1.304 -1.393 0 C-N-CA 126.136 1.775 . . . . 0.0 112.694 -177.901 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.098 0 N-CA-C 112.308 -0.317 . . . . 0.0 112.308 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.401 ' O ' ' HA ' ' A' ' 16' ' ' CYS . 48.2 t80 -118.35 132.02 56.29 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-O 121.223 0.535 . . . . 0.0 110.606 -179.273 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 86.2 m -109.9 135.48 50.71 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.131 176.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 46.2 ttt85 -133.92 126.04 29.53 Favored 'General case' 0 C--N 1.287 -2.122 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 173.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 60.7 m -100.19 150.84 22.11 Favored 'General case' 0 C--N 1.301 -1.52 0 C-N-CA 119.558 -0.857 . . . . 0.0 113.009 -174.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 pp -137.49 150.94 47.94 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 114.927 -1.033 . . . . 0.0 110.122 178.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 71.0 m -122.14 124.83 44.79 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-O 121.265 0.555 . . . . 0.0 110.923 177.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -125.22 105.11 8.89 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.989 -177.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' A' ' 9' ' ' ARG . 73.7 ttt180 54.19 44.19 29.5 Favored 'General case' 0 CA--C 1.557 1.215 0 CA-C-O 122.367 1.08 . . . . 0.0 111.519 177.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.32 -5.4 83.35 Favored Glycine 0 C--N 1.31 -0.888 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.71 178.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -102.57 103.73 14.08 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 178.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 61.7 m -93.81 132.75 37.91 Favored 'General case' 0 C--N 1.29 -1.983 0 CA-C-O 121.719 0.771 . . . . 0.0 109.727 178.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.4 ttt180 -134.9 143.94 47.23 Favored 'General case' 0 C--N 1.276 -2.621 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 -178.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 68.2 m -110.19 136.69 49.01 Favored 'General case' 0 N--CA 1.409 -2.509 0 C-N-CA 119.461 -0.896 . . . . 0.0 110.514 178.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.5 mm -98.92 101.66 12.39 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.389 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.442 ' C ' ' HG1' ' A' ' 17' ' ' THR . 60.1 m -107.45 124.47 49.92 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 177.475 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.442 ' HG1' ' C ' ' A' ' 16' ' ' CYS . 59.4 m -158.97 143.46 15.64 Favored 'General case' 0 C--N 1.27 -2.888 0 N-CA-C 107.1 -1.444 . . . . 0.0 107.1 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 . . . . . 0 C--N 1.319 -0.718 0 C-N-CA 124.886 1.274 . . . . 0.0 110.809 177.768 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.415 0 N-CA-C 113.309 0.084 . . . . 0.0 113.309 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -102.75 126.13 49.75 Favored 'General case' 0 N--CA 1.434 -1.27 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 76.8 m -105.69 135.07 47.77 Favored 'General case' 0 C--N 1.284 -2.272 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.117 -176.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 46.5 mtp180 -128.19 120.08 26.53 Favored 'General case' 0 C--N 1.291 -1.947 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 177.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 61.3 m -96.06 151.88 19.05 Favored 'General case' 0 C--N 1.281 -2.4 0 C-N-CA 120.485 -0.486 . . . . 0.0 111.533 -176.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 66.2 tp -136.21 140.67 43.7 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.941 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 69.8 m -121.27 119.63 32.78 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 174.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -134.31 131.42 38.34 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 62.23 27.19 16.32 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 124.627 1.171 . . . . 0.0 110.801 177.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.67 15.25 68.57 Favored Glycine 0 N--CA 1.441 -1.03 0 CA-C-N 115.333 -0.849 . . . . 0.0 112.198 179.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -121.11 120.97 36.85 Favored 'General case' 0 C--N 1.308 -1.23 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 84.1 m -101.93 137.41 40.26 Favored 'General case' 0 C--N 1.296 -1.746 0 CA-C-O 121.742 0.782 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.5 ptt180 -151.46 149.52 29.35 Favored 'General case' 0 C--N 1.281 -2.392 0 CA-C-N 114.649 -1.159 . . . . 0.0 108.911 -178.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 73.3 m -113.96 142.79 45.7 Favored 'General case' 0 C--N 1.297 -1.692 0 C-N-CA 119.713 -0.795 . . . . 0.0 112.229 -177.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.1 mp -121.44 135.68 60.8 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.184 0 N-CA-C 107.132 -1.433 . . . . 0.0 107.132 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.2 m -124.08 144.42 49.88 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-O 121.417 0.627 . . . . 0.0 111.358 -178.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.5 m -148.96 129.01 13.52 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 177.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 . . . . . 0 C--N 1.306 -1.296 0 C-N-CA 125.856 1.662 . . . . 0.0 110.49 -178.684 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.773 0 N-CA-C 112.638 -0.185 . . . . 0.0 112.638 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -114.57 141.7 47.41 Favored 'General case' 0 C--N 1.312 -1.054 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 -179.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 63.3 m -122.02 139.0 54.22 Favored 'General case' 0 C--N 1.3 -1.572 0 CA-C-O 121.267 0.556 . . . . 0.0 111.117 -178.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 22.2 tpp180 -131.06 143.26 50.55 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 105.789 -1.93 . . . . 0.0 105.789 175.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 51.5 m -100.87 144.77 29.41 Favored 'General case' 0 N--CA 1.419 -2.022 0 C-N-CA 118.77 -1.172 . . . . 0.0 111.732 -178.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 63.3 tp -134.87 139.94 45.42 Favored 'General case' 0 C--N 1.295 -1.762 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -176.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.6 m -112.08 124.85 53.32 Favored 'General case' 0 C--N 1.28 -2.442 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 178.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -108.97 103.23 12.23 Favored 'General case' 0 N--CA 1.421 -1.907 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.692 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.9 tpp180 55.71 40.69 30.84 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 124.256 1.022 . . . . 0.0 112.116 174.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.75 -14.96 53.03 Favored Glycine 0 N--CA 1.442 -0.929 0 C-N-CA 120.279 -0.962 . . . . 0.0 113.03 177.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -101.2 111.85 24.18 Favored 'General case' 0 CA--C 1.5 -0.978 0 CA-C-N 117.229 0.514 . . . . 0.0 111.306 178.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 76.1 m -89.41 130.76 35.71 Favored 'General case' 0 C--N 1.295 -1.771 0 CA-C-O 122.112 0.958 . . . . 0.0 110.731 177.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -142.38 161.9 36.85 Favored 'General case' 0 C--N 1.274 -2.716 0 CA-C-N 113.908 -1.497 . . . . 0.0 107.239 -175.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 49.3 m -121.55 134.48 55.03 Favored 'General case' 0 C--N 1.291 -1.966 0 C-N-CA 118.836 -1.146 . . . . 0.0 111.465 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.0 mt -109.84 132.21 58.7 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 CA-C-N 114.768 -1.105 . . . . 0.0 108.286 -176.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 59.9 m -121.07 143.04 49.28 Favored 'General case' 0 C--N 1.296 -1.738 0 CA-C-O 121.177 0.513 . . . . 0.0 110.573 -176.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.6 m -157.19 137.49 12.83 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 175.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.9 ttm180 . . . . . 0 CA--C 1.543 0.696 0 C-N-CA 124.319 1.048 . . . . 0.0 110.296 176.405 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.339 0 N-CA-C 113.191 0.036 . . . . 0.0 113.191 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -114.5 132.12 56.4 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-O 121.171 0.51 . . . . 0.0 110.77 -176.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.1 m -99.17 136.25 39.39 Favored 'General case' 0 C--N 1.295 -1.78 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.884 179.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 19.8 ptp180 -136.62 138.83 41.59 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 58.8 m -101.86 132.65 47.51 Favored 'General case' 0 C--N 1.278 -2.521 0 C-N-CA 118.909 -1.116 . . . . 0.0 109.494 176.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.1 mt -123.79 140.02 53.4 Favored 'General case' 0 C--N 1.278 -2.517 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.006 -174.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 85.9 m -122.39 114.72 21.13 Favored 'General case' 0 C--N 1.28 -2.425 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 177.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 48.6 ttp180 -101.89 101.59 12.05 Favored 'General case' 0 C--N 1.293 -1.862 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 46.7 ttp180 49.34 51.43 16.34 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 113.762 -1.563 . . . . 0.0 111.484 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.07 -32.39 7.58 Favored Glycine 0 N--CA 1.436 -1.313 0 CA-C-N 115.424 -0.807 . . . . 0.0 113.709 178.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -86.33 110.55 19.75 Favored 'General case' 0 C--O 1.244 0.764 0 CA-C-N 117.67 0.735 . . . . 0.0 110.402 -176.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 69.0 m -100.13 142.93 30.94 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-O 121.426 0.632 . . . . 0.0 112.464 -176.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -156.41 151.16 25.94 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-N 115.016 -0.993 . . . . 0.0 108.667 174.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 59.1 m -104.14 126.12 51.0 Favored 'General case' 0 N--CA 1.426 -1.674 0 C-N-CA 119.601 -0.84 . . . . 0.0 110.792 179.186 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.9 mt -116.7 133.82 62.16 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.344 0 CA-C-N 114.294 -1.321 . . . . 0.0 109.148 -175.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.418 ' C ' ' HG1' ' A' ' 17' ' ' THR . 55.7 m -112.01 136.52 51.26 Favored 'General case' 0 C--N 1.293 -1.869 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.412 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.418 ' HG1' ' C ' ' A' ' 16' ' ' CYS . 37.9 m -151.91 136.05 16.61 Favored 'General case' 0 C--N 1.295 -1.801 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 -178.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 . . . . . 0 CA--C 1.556 1.173 0 C-N-CA 125.23 1.412 . . . . 0.0 111.925 178.737 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.682 0 CA-C-O 120.34 -0.145 . . . . 0.0 113.367 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -107.13 143.13 35.74 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 -179.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.8 m -125.14 128.32 48.22 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 120.097 -0.641 . . . . 0.0 111.135 -176.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 46.8 ttp180 -107.05 145.63 32.14 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 106.124 -1.806 . . . . 0.0 106.124 174.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 40.2 m -112.95 141.89 46.26 Favored 'General case' 0 N--CA 1.411 -2.404 0 C-N-CA 118.634 -1.226 . . . . 0.0 111.799 -177.124 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.4 tp -113.99 117.58 31.74 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-N 114.512 -1.222 . . . . 0.0 109.947 -179.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 72.7 m -95.33 122.67 38.28 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.838 178.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.4 mtp180 -129.26 110.06 11.65 Favored 'General case' 0 C--O 1.251 1.159 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 60.74 31.26 20.09 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-O 122.468 1.128 . . . . 0.0 110.157 177.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.33 -24.6 31.56 Favored Glycine 0 N--CA 1.435 -1.425 0 CA-C-N 115.301 -0.863 . . . . 0.0 112.745 178.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -90.2 114.95 27.03 Favored 'General case' 0 CA--C 1.505 -0.757 0 CA-C-O 121.106 0.479 . . . . 0.0 110.008 -178.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 31.0 m -100.37 129.58 46.36 Favored 'General case' 0 C--N 1.299 -1.599 0 CA-C-O 121.52 0.676 . . . . 0.0 110.709 -178.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -122.85 138.54 54.62 Favored 'General case' 0 C--N 1.286 -2.159 0 CA-C-N 114.409 -1.269 . . . . 0.0 108.071 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 46.5 m -105.89 134.76 48.49 Favored 'General case' 0 C--N 1.294 -1.842 0 C-N-CA 119.339 -0.944 . . . . 0.0 112.91 -176.532 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.5 mp -106.74 125.78 62.67 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 CA-C-N 114.593 -1.185 . . . . 0.0 108.132 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 59.9 m -110.02 141.54 42.69 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-O 121.385 0.612 . . . . 0.0 111.693 -178.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.4 m -154.56 136.72 14.77 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 177.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 41.3 ttp180 . . . . . 0 CA--C 1.563 1.472 0 C-N-CA 124.594 1.158 . . . . 0.0 111.485 -179.315 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.788 0 N-CA-C 114.308 0.483 . . . . 0.0 114.308 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -105.96 125.72 51.33 Favored 'General case' 0 C--O 1.246 0.887 0 CA-C-N 117.559 0.679 . . . . 0.0 111.122 -175.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.6 m -108.98 140.57 42.31 Favored 'General case' 0 C--N 1.29 -2.014 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.467 178.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.9 ptp85 -147.53 144.81 28.79 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 177.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 78.2 m -108.76 143.35 38.02 Favored 'General case' 0 C--N 1.289 -2.055 0 C-N-CA 119.472 -0.891 . . . . 0.0 109.364 175.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 51.7 tp -134.05 143.24 47.93 Favored 'General case' 0 C--N 1.285 -2.228 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.652 -173.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 75.2 m -124.3 128.28 48.9 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 176.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 83.3 mtm180 -134.52 112.47 10.92 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.913 178.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.0 tpp180 59.43 35.32 22.93 Favored 'General case' 0 C--N 1.314 -0.971 0 C-N-CA 124.873 1.269 . . . . 0.0 111.755 173.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.49 -6.13 67.85 Favored Glycine 0 C--O 1.242 0.656 0 C-N-CA 120.808 -0.711 . . . . 0.0 113.071 177.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -103.36 107.32 18.1 Favored 'General case' 0 C--N 1.308 -1.208 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 178.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 78.7 m -98.53 132.78 43.68 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-O 121.577 0.704 . . . . 0.0 109.984 177.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -140.69 141.96 34.93 Favored 'General case' 0 C--N 1.271 -2.826 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 -176.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 74.0 m -104.32 135.38 45.88 Favored 'General case' 0 C--N 1.29 -1.981 0 C-N-CA 120.07 -0.652 . . . . 0.0 109.745 175.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.9 mp -121.64 121.29 64.09 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.151 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.124 -175.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.407 ' C ' ' HG1' ' A' ' 17' ' ' THR . 71.7 m -110.87 136.97 49.1 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 172.159 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.407 ' HG1' ' C ' ' A' ' 16' ' ' CYS . 15.4 m -153.18 125.13 7.88 Favored 'General case' 0 C--N 1.281 -2.385 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 -179.744 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 . . . . . 0 C--N 1.307 -1.257 0 C-N-CA 126.359 1.864 . . . . 0.0 112.547 179.181 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.774 0 N-CA-C 113.714 0.245 . . . . 0.0 113.714 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -120.93 142.5 49.67 Favored 'General case' 0 C--N 1.311 -1.089 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 179.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 46.3 m -112.22 116.64 30.76 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-O 121.868 0.842 . . . . 0.0 110.581 179.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -114.74 142.46 46.49 Favored 'General case' 0 C--N 1.28 -2.453 0 CA-C-N 114.132 -1.394 . . . . 0.0 107.489 -177.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 59.4 m -104.71 143.45 33.08 Favored 'General case' 0 N--CA 1.417 -2.101 0 C-N-CA 118.774 -1.17 . . . . 0.0 109.719 176.751 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 pp -130.93 155.8 46.16 Favored 'General case' 0 C--N 1.289 -2.062 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.726 -177.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 74.8 m -131.9 114.1 14.25 Favored 'General case' 0 C--N 1.292 -1.896 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 176.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -120.75 114.4 21.58 Favored 'General case' 0 N--CA 1.423 -1.805 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 -178.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 55.21 46.73 23.18 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 125.178 1.391 . . . . 0.0 110.676 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.6 -22.88 18.62 Favored Glycine 0 N--CA 1.439 -1.116 0 CA-C-N 115.657 -0.701 . . . . 0.0 113.07 177.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -89.97 112.83 24.36 Favored 'General case' 0 C--O 1.247 0.965 0 CA-C-N 116.987 0.393 . . . . 0.0 110.267 -176.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 63.8 m -99.2 134.75 41.6 Favored 'General case' 0 C--N 1.294 -1.832 0 CA-C-O 121.713 0.768 . . . . 0.0 110.323 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.9 tpt180 -146.27 144.55 29.92 Favored 'General case' 0 C--N 1.277 -2.557 0 CA-C-N 114.34 -1.3 . . . . 0.0 107.857 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 69.8 m -99.29 141.7 31.72 Favored 'General case' 0 N--CA 1.415 -2.216 0 C-N-CA 119.958 -0.697 . . . . 0.0 109.398 175.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.5 tp -131.22 130.7 63.48 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.994 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.166 -178.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.4 m -99.42 129.57 45.62 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 174.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.2 m -149.09 134.22 18.21 Favored 'General case' 0 C--N 1.282 -2.344 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -178.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.2 ttt180 . . . . . 0 CA--C 1.558 1.285 0 C-N-CA 124.95 1.3 . . . . 0.0 111.74 177.469 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.796 0 N-CA-C 113.828 0.291 . . . . 0.0 113.828 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -100.46 131.07 46.57 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 -178.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 53.0 m -108.0 129.52 55.12 Favored 'General case' 0 C--N 1.284 -2.24 0 CA-C-O 121.216 0.532 . . . . 0.0 110.935 -177.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -129.41 139.14 51.75 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 -179.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 47.2 m -97.78 141.21 31.06 Favored 'General case' 0 N--CA 1.421 -1.912 0 CA-C-O 121.796 0.808 . . . . 0.0 111.983 -178.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 39.4 tp -105.79 119.18 38.49 Favored 'General case' 0 C--N 1.292 -1.923 0 N-CA-C 106.857 -1.534 . . . . 0.0 106.857 179.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 73.9 m -114.73 136.4 53.1 Favored 'General case' 0 C--N 1.289 -2.032 0 CA-C-O 120.818 0.342 . . . . 0.0 111.046 -178.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -143.57 111.32 6.01 Favored 'General case' 0 N--CA 1.433 -1.292 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 44.7 ttp180 56.07 44.42 25.38 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-O 122.386 1.089 . . . . 0.0 110.398 179.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.12 -17.44 37.44 Favored Glycine 0 N--CA 1.439 -1.142 0 CA-C-N 115.067 -0.97 . . . . 0.0 113.424 177.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -90.12 112.03 23.36 Favored 'General case' 0 CA--C 1.504 -0.826 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 -178.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 78.6 m -105.19 135.46 46.5 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 121.609 0.718 . . . . 0.0 111.471 -178.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -124.94 121.4 34.36 Favored 'General case' 0 C--N 1.287 -2.142 0 N-CA-C 106.547 -1.649 . . . . 0.0 106.547 179.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 60.5 m -95.06 132.56 39.82 Favored 'General case' 0 C--N 1.298 -1.632 0 C-N-CA 119.298 -0.961 . . . . 0.0 112.455 -177.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.2 mm -124.64 128.13 73.26 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 CA-C-N 114.523 -1.217 . . . . 0.0 109.721 -174.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.2 m -97.49 134.19 41.06 Favored 'General case' 0 N--CA 1.427 -1.625 0 CA-C-O 121.747 0.784 . . . . 0.0 111.189 177.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.3 p -133.48 108.61 8.75 Favored 'General case' 0 C--N 1.29 -1.998 0 CA-C-N 114.147 -1.388 . . . . 0.0 110.35 -176.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 47.0 ttp180 . . . . . 0 CA--C 1.545 0.77 0 C-N-CA 124.473 1.109 . . . . 0.0 110.904 176.373 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.718 0 CA-C-O 120.773 0.096 . . . . 0.0 113.188 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -122.97 134.99 54.31 Favored 'General case' 0 N--CA 1.439 -0.987 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 83.0 m -103.99 141.82 35.52 Favored 'General case' 0 C--N 1.286 -2.166 0 CA-C-O 121.089 0.471 . . . . 0.0 111.626 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -132.86 131.34 40.86 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 177.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 64.5 m -100.83 131.56 46.65 Favored 'General case' 0 C--N 1.278 -2.508 0 C-N-CA 118.626 -1.229 . . . . 0.0 109.453 174.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 91.4 mt -125.2 148.29 48.69 Favored 'General case' 0 C--N 1.272 -2.766 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.784 -175.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 76.4 m -127.23 122.3 33.6 Favored 'General case' 0 C--N 1.293 -1.887 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 178.013 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.1 mtp180 -120.5 101.26 7.64 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 116.185 -0.462 . . . . 0.0 109.984 -178.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.1 tpp180 66.81 22.46 10.25 Favored 'General case' 0 CA--C 1.554 1.128 0 CA-C-O 122.259 1.028 . . . . 0.0 111.233 174.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.61 -15.35 26.94 Favored Glycine 0 N--CA 1.437 -1.249 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.793 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -86.28 103.02 14.49 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 177.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 77.3 m -96.4 134.49 39.49 Favored 'General case' 0 C--N 1.291 -1.946 0 CA-C-O 121.461 0.648 . . . . 0.0 109.914 177.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -149.5 142.99 25.36 Favored 'General case' 0 C--N 1.281 -2.401 0 CA-C-N 114.56 -1.2 . . . . 0.0 108.498 -177.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 58.9 m -105.95 128.37 53.76 Favored 'General case' 0 C--N 1.301 -1.513 0 C-N-CA 119.39 -0.924 . . . . 0.0 110.271 177.721 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.0 mm -114.67 137.16 48.98 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.43 0 CA-C-N 114.754 -1.112 . . . . 0.0 109.391 -175.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 55.8 m -118.88 131.45 56.06 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-O 121.358 0.599 . . . . 0.0 110.413 178.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.8 t -150.91 137.5 18.77 Favored 'General case' 0 C--N 1.29 -1.981 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.631 -177.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 50.1 ttp180 . . . . . 0 CA--C 1.55 0.964 0 C-N-CA 124.882 1.273 . . . . 0.0 109.854 -176.712 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 58.6 m . . . . . 0 N--CA 1.435 -1.216 0 CA-C-O 121.475 0.655 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -119.75 140.69 50.32 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 107.018 -1.475 . . . . 0.0 107.018 177.293 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 58.7 m -111.19 151.5 28.14 Favored 'General case' 0 C--N 1.286 -2.16 0 C-N-CA 119.563 -0.855 . . . . 0.0 111.977 -173.724 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -139.06 154.51 48.21 Favored 'General case' 0 N--CA 1.434 -1.247 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.963 -178.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 76.0 m -121.29 113.38 19.85 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 174.331 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.431 ' O ' ' HB3' ' A' ' 11' ' ' ASP . 1.3 tmm_? -108.68 98.69 8.16 Favored 'General case' 0 C--N 1.284 -2.249 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.231 -176.303 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 61.43 34.94 17.94 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.397 1.079 . . . . 0.0 110.528 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.5 -16.3 60.77 Favored Glycine 0 C--N 1.311 -0.829 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.958 -179.195 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.431 ' HB3' ' O ' ' A' ' 8' ' ' ARG . 23.2 t70 -85.02 96.72 9.49 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 61.5 m -91.1 134.69 34.32 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-O 121.712 0.768 . . . . 0.0 111.035 -179.42 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -158.56 167.13 30.41 Favored 'General case' 0 C--N 1.292 -1.93 0 CA-C-N 114.383 -1.28 . . . . 0.0 108.603 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 63.2 m -117.75 147.9 42.55 Favored 'General case' 0 C--N 1.298 -1.657 0 C-N-CA 119.984 -0.686 . . . . 0.0 111.437 -179.284 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.4 tt -121.71 133.97 66.49 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.222 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 177.476 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.7 m . . . . . 0 C--N 1.303 -1.435 0 CA-C-O 121.277 0.56 . . . . 0.0 111.361 -177.149 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 45.9 m . . . . . 0 N--CA 1.438 -1.035 0 CA-C-O 121.16 0.505 . . . . 0.0 110.761 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.2 ppt_? -126.22 143.26 51.21 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 176.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 38.8 m -102.12 141.1 35.5 Favored 'General case' 0 C--N 1.289 -2.039 0 C-N-CA 119.311 -0.956 . . . . 0.0 112.13 -173.719 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.43 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 50.3 tp -129.64 140.06 51.26 Favored 'General case' 0 C--N 1.297 -1.716 0 CA-C-N 114.826 -1.079 . . . . 0.0 109.952 -175.505 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.466 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 66.9 m -104.83 111.3 23.99 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 172.681 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -118.62 108.08 14.5 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-N 115.171 -0.922 . . . . 0.0 108.578 -174.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 55.18 44.13 28.24 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-O 122.796 1.284 . . . . 0.0 110.478 -179.2 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.06 -27.24 15.47 Favored Glycine 0 N--CA 1.43 -1.735 0 CA-C-N 115.09 -0.959 . . . . 0.0 113.263 178.072 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -89.51 113.34 24.71 Favored 'General case' 0 CA--C 1.493 -1.212 0 C-N-CA 120.044 -0.662 . . . . 0.0 110.804 -175.522 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.466 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 39.0 m -89.6 120.77 31.19 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 175.062 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.2 tpp180 -134.46 148.78 50.66 Favored 'General case' 0 C--N 1.267 -3.006 0 N-CA-C 106.679 -1.6 . . . . 0.0 106.679 -174.432 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 56.9 m -105.0 128.84 53.47 Favored 'General case' 0 C--N 1.289 -2.05 0 C-N-CA 118.999 -1.08 . . . . 0.0 111.368 179.416 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.4 mm -103.6 120.2 53.3 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.004 0 CA-C-N 114.299 -1.319 . . . . 0.0 108.863 -175.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 75.4 m . . . . . 0 C--N 1.298 -1.669 0 CA-C-O 121.055 0.455 . . . . 0.0 110.201 178.069 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.0 m . . . . . 0 CA--C 1.488 -1.42 0 CA-C-O 121.45 0.643 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 41.4 ptt85 -134.28 129.96 36.36 Favored 'General case' 0 C--N 1.285 -2.209 0 CA-C-N 114.643 -1.162 . . . . 0.0 108.471 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.47 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 72.0 m -98.12 154.0 18.05 Favored 'General case' 0 C--N 1.283 -2.287 0 C-N-CA 119.973 -0.691 . . . . 0.0 110.127 177.704 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.2 tp -146.19 128.25 15.58 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-O 120.965 0.412 . . . . 0.0 110.998 -178.099 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 71.1 m -94.29 109.49 21.3 Favored 'General case' 0 N--CA 1.429 -1.485 0 CA-C-O 121.656 0.741 . . . . 0.0 109.128 171.516 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 20.3 tpt180 -119.21 120.79 38.08 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 113.918 -1.492 . . . . 0.0 108.434 -174.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 64.2 ttt180 61.44 29.72 18.58 Favored 'General case' 0 CA--C 1.562 1.432 0 CA-C-O 122.535 1.16 . . . . 0.0 110.383 178.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.44 -11.0 57.61 Favored Glycine 0 C--O 1.244 0.751 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.421 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -100.64 120.35 39.92 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 -177.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 35.8 m -96.33 132.0 42.28 Favored 'General case' 0 C--N 1.291 -1.944 0 CA-C-O 121.372 0.606 . . . . 0.0 111.119 -175.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -134.3 158.34 44.02 Favored 'General case' 0 C--N 1.294 -1.826 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 -178.592 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.47 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 79.7 m -120.15 143.52 48.16 Favored 'General case' 0 C--N 1.287 -2.129 0 C-N-CA 119.574 -0.85 . . . . 0.0 110.037 176.053 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.7 mp -124.47 119.67 57.02 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.77 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.096 -178.283 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.0 m . . . . . 0 C--N 1.292 -1.899 0 N-CA-C 109.063 -0.718 . . . . 0.0 109.063 174.205 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.45 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 61.7 m . . . . . 0 N--CA 1.433 -1.319 0 CA-C-O 122.223 1.011 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -117.2 139.15 51.14 Favored 'General case' 0 C--N 1.284 -2.247 0 CA-C-N 114.179 -1.373 . . . . 0.0 108.071 -176.583 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.527 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 16.8 m -94.57 144.36 25.65 Favored 'General case' 0 CA--C 1.481 -1.687 0 C-N-CA 118.623 -1.231 . . . . 0.0 113.245 179.141 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -124.55 130.39 52.36 Favored 'General case' 0 C--N 1.28 -2.422 0 CA-C-N 113.187 -1.824 . . . . 0.0 108.039 178.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.444 ' HA ' ' O ' ' A' ' 11' ' ' ASP . 81.2 m -112.96 135.26 53.92 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-O 121.007 0.432 . . . . 0.0 110.644 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -131.03 99.67 4.97 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 108.779 -0.822 . . . . 0.0 108.779 176.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 52.36 55.15 9.55 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 124.351 1.06 . . . . 0.0 110.323 178.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.29 -32.07 6.23 Favored Glycine 0 N--CA 1.442 -0.945 0 CA-C-N 115.497 -0.774 . . . . 0.0 112.699 179.357 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.444 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 16.7 t70 -75.37 97.62 3.66 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-O 121.129 0.49 . . . . 0.0 110.787 -177.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.2 m -102.45 127.18 49.59 Favored 'General case' 0 C--N 1.287 -2.112 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.56 177.086 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -145.06 149.64 35.43 Favored 'General case' 0 C--N 1.27 -2.863 0 CA-C-N 114.416 -1.265 . . . . 0.0 108.101 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.527 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 4.1 m -95.13 140.24 30.34 Favored 'General case' 0 CA--C 1.478 -1.797 0 CA-C-O 122.392 1.091 . . . . 0.0 113.001 178.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.5 mt -119.98 130.57 74.08 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.646 0 CA-C-N 112.849 -1.978 . . . . 0.0 106.629 176.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.45 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 15.4 m . . . . . 0 C--N 1.287 -2.113 0 C-N-CA 119.593 -0.843 . . . . 0.0 110.187 -179.129 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 76.7 m . . . . . 0 N--CA 1.432 -1.368 0 CA-C-O 121.223 0.535 . . . . 0.0 110.548 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.4 ttp180 -139.15 137.4 36.06 Favored 'General case' 0 C--N 1.29 -1.981 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 62.5 m -111.17 146.07 37.54 Favored 'General case' 0 C--N 1.298 -1.655 0 C-N-CA 119.151 -1.02 . . . . 0.0 112.678 -175.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -120.54 131.08 54.51 Favored 'General case' 0 C--N 1.291 -1.958 0 N-CA-C 106.196 -1.779 . . . . 0.0 106.196 178.431 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 82.0 m -121.64 134.68 54.99 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-O 120.577 0.227 . . . . 0.0 111.07 -177.146 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 75.8 mtm180 -136.53 108.31 7.06 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 61.97 34.27 16.84 Favored 'General case' 0 CA--C 1.563 1.464 0 CA-C-O 122.355 1.074 . . . . 0.0 110.032 175.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.38 -18.21 55.19 Favored Glycine 0 C--N 1.315 -0.62 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.155 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -80.09 104.07 10.4 Favored 'General case' 0 CA--C 1.494 -1.174 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 85.9 m -101.23 134.92 43.54 Favored 'General case' 0 N--CA 1.418 -2.054 0 CA-C-O 122.023 0.916 . . . . 0.0 109.925 177.528 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.2 ttm180 -132.41 132.18 42.55 Favored 'General case' 0 C--N 1.265 -3.087 0 N-CA-C 106.061 -1.829 . . . . 0.0 106.061 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 57.9 m -110.53 134.89 51.96 Favored 'General case' 0 C--N 1.279 -2.468 0 C-N-CA 119.348 -0.941 . . . . 0.0 111.689 -174.468 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.2 tt -107.26 115.63 49.06 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.325 0 CA-C-N 114.397 -1.274 . . . . 0.0 109.909 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 62.3 m . . . . . 0 C--N 1.301 -1.513 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 176.882 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 62.4 m . . . . . 0 N--CA 1.443 -0.782 0 CA-C-O 121.324 0.583 . . . . 0.0 112.561 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 37.8 mmt180 -130.2 148.31 52.02 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 105.898 -1.89 . . . . 0.0 105.898 170.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 80.3 m -109.41 151.47 26.63 Favored 'General case' 0 C--N 1.296 -1.736 0 C-N-CA 119.198 -1.001 . . . . 0.0 112.759 -177.364 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 35.1 tp -135.6 129.02 32.26 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 124.31 1.044 . . . . 0.0 110.242 -174.432 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 72.7 m -105.0 118.0 35.42 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-O 121.003 0.43 . . . . 0.0 110.846 177.502 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.512 ' HA ' ' NE ' ' A' ' 8' ' ' ARG . 3.9 mmp_? -114.78 101.16 8.8 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.064 178.786 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 54.72 43.69 29.71 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-O 122.677 1.227 . . . . 0.0 110.705 177.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.14 -27.12 19.81 Favored Glycine 0 N--CA 1.443 -0.837 0 CA-C-N 114.763 -1.108 . . . . 0.0 113.136 178.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -82.99 102.47 11.76 Favored 'General case' 0 CA--C 1.503 -0.851 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 -179.338 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 59.6 m -92.09 122.13 34.3 Favored 'General case' 0 N--CA 1.425 -1.721 0 CA-C-O 122.192 0.996 . . . . 0.0 109.981 179.694 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 55.2 mtp85 -122.82 165.23 16.95 Favored 'General case' 0 C--N 1.265 -3.08 0 CA-C-N 113.111 -1.859 . . . . 0.0 106.598 -174.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 75.3 m -128.58 136.35 50.61 Favored 'General case' 0 N--CA 1.411 -2.403 0 C-N-CA 119.519 -0.872 . . . . 0.0 110.744 177.57 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.3 mt -99.94 114.84 39.59 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.19 0 CA-C-N 114.455 -1.248 . . . . 0.0 107.804 -178.053 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.0 m . . . . . 0 C--N 1.289 -2.055 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 177.812 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.503 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 35.1 m . . . . . 0 CA--C 1.496 -1.098 0 CA-C-O 122.509 1.147 . . . . 0.0 113.802 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -125.63 155.65 40.45 Favored 'General case' 0 C--N 1.28 -2.45 0 N-CA-C 104.582 -2.377 . . . . 0.0 104.582 178.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 10.9 m -114.53 135.21 54.38 Favored 'General case' 0 N--CA 1.412 -2.367 0 C-N-CA 117.931 -1.508 . . . . 0.0 111.946 -174.471 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.9 mp -120.94 149.67 42.28 Favored 'General case' 0 C--N 1.298 -1.657 0 CA-C-N 114.576 -1.193 . . . . 0.0 109.465 -178.228 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 55.8 m -111.7 129.41 56.11 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-O 121.477 0.656 . . . . 0.0 111.421 -178.142 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 8' ' ' ARG . 29.2 mmt180 -124.69 101.23 7.01 Favored 'General case' 0 N--CA 1.434 -1.272 0 CA-C-N 114.781 -1.1 . . . . 0.0 109.93 178.158 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 60.97 40.6 15.16 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 122.511 1.148 . . . . 0.0 110.23 176.188 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.97 -17.48 59.21 Favored Glycine 0 N--CA 1.436 -1.317 0 CA-C-N 114.676 -1.147 . . . . 0.0 111.977 179.046 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -87.6 96.05 10.27 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -178.032 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 59.5 m -87.39 119.69 27.92 Favored 'General case' 0 CA--C 1.471 -2.086 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 176.248 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.9 ttm-85 -135.27 143.41 46.25 Favored 'General case' 0 C--N 1.257 -3.421 0 CA-C-N 114.303 -1.317 . . . . 0.0 108.273 -173.142 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 34.9 m -97.02 136.92 36.89 Favored 'General case' 0 C--N 1.285 -2.23 0 C-N-CA 119.116 -1.033 . . . . 0.0 111.687 -175.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.7 tp -133.0 145.48 34.1 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.064 0 CA-C-N 114.711 -1.131 . . . . 0.0 109.288 -179.206 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.503 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 53.7 m . . . . . 0 CA--C 1.48 -1.742 0 CA-C-O 122.357 1.075 . . . . 0.0 110.391 176.306 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 82.2 m . . . . . 0 N--CA 1.44 -0.966 0 CA-C-O 121.663 0.744 . . . . 0.0 110.48 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -111.63 135.1 52.68 Favored 'General case' 0 C--N 1.283 -2.313 0 N-CA-C 106.811 -1.552 . . . . 0.0 106.811 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 58.7 m -111.62 148.55 33.1 Favored 'General case' 0 C--N 1.286 -2.183 0 C-N-CA 119.095 -1.042 . . . . 0.0 112.348 -174.289 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.7 mt -133.71 159.69 39.8 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-N 114.937 -1.028 . . . . 0.0 108.483 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 62.2 m -129.3 132.88 47.24 Favored 'General case' 0 C--N 1.293 -1.873 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 175.485 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -145.88 142.18 28.53 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 107.505 -1.294 . . . . 0.0 107.505 178.671 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.421 ' HG2' ' O ' ' A' ' 9' ' ' ARG . 37.7 ttp180 66.94 10.54 7.73 Favored 'General case' 0 N--CA 1.493 1.706 0 CA-C-O 121.584 0.707 . . . . 0.0 111.162 177.829 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.0 12.24 83.59 Favored Glycine 0 C--N 1.315 -0.603 0 N-CA-C 109.977 -1.249 . . . . 0.0 109.977 -173.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -113.19 109.57 18.99 Favored 'General case' 0 C--N 1.307 -1.25 0 C-N-CA 125.004 1.322 . . . . 0.0 107.83 -177.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 72.3 m -84.92 138.41 32.53 Favored 'General case' 0 C--N 1.297 -1.7 0 C-N-CA 119.808 -0.757 . . . . 0.0 110.59 179.453 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -142.08 138.96 32.1 Favored 'General case' 0 C--N 1.283 -2.313 0 CA-C-N 115.137 -0.938 . . . . 0.0 108.714 -171.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 79.5 m -109.39 140.35 43.21 Favored 'General case' 0 C--N 1.284 -2.248 0 C-N-CA 119.621 -0.831 . . . . 0.0 111.337 -179.37 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.6 mm -110.84 125.28 68.14 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.139 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 62.4 m . . . . . 0 C--N 1.293 -1.874 0 CA-C-O 121.255 0.55 . . . . 0.0 109.944 179.774 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 47.7 m . . . . . 0 N--CA 1.431 -1.38 0 CA-C-O 121.19 0.519 . . . . 0.0 111.612 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 19.1 ttp85 -148.26 146.54 28.67 Favored 'General case' 0 C--N 1.308 -1.2 0 N-CA-C 107.075 -1.454 . . . . 0.0 107.075 179.192 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.47 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 57.7 m -104.51 146.05 29.42 Favored 'General case' 0 C--N 1.292 -1.912 0 C-N-CA 119.95 -0.7 . . . . 0.0 111.911 -177.153 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 91.2 mt -128.0 130.0 47.64 Favored 'General case' 0 N--CA 1.435 -1.196 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.704 -179.01 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 86.3 m -108.92 117.38 34.04 Favored 'General case' 0 C--N 1.291 -1.946 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 172.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 76.9 mtm180 -114.71 97.25 6.16 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.534 -174.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 54.6 42.47 31.26 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-O 122.245 1.021 . . . . 0.0 110.176 177.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.84 -27.8 18.82 Favored Glycine 0 N--CA 1.437 -1.294 0 CA-C-N 115.105 -0.952 . . . . 0.0 112.857 179.143 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -84.04 104.05 13.78 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 120.936 0.398 . . . . 0.0 110.802 -178.02 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 62.8 m -97.22 134.94 39.86 Favored 'General case' 0 C--N 1.297 -1.701 0 CA-C-O 121.779 0.8 . . . . 0.0 111.126 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -149.0 136.93 20.66 Favored 'General case' 0 C--N 1.28 -2.414 0 CA-C-N 114.148 -1.387 . . . . 0.0 108.294 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.47 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 63.7 m -97.05 136.25 37.87 Favored 'General case' 0 N--CA 1.426 -1.638 0 C-N-CA 119.633 -0.827 . . . . 0.0 109.963 177.042 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.7 tp -123.0 137.71 55.53 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.099 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.281 -174.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 61.8 m . . . . . 0 C--N 1.29 -1.997 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 176.657 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 84.4 m . . . . . 0 N--CA 1.442 -0.872 0 CA-C-O 121.18 0.514 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.6 ptt180 -130.62 136.03 48.46 Favored 'General case' 0 C--N 1.286 -2.176 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 178.074 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 57.8 m -113.06 149.71 33.05 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 -171.093 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -127.39 129.93 48.45 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 114.92 -1.037 . . . . 0.0 109.996 178.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 90.9 m -116.84 112.75 21.53 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 172.451 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 77.2 mtm180 -118.08 98.05 6.12 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.015 -173.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.6 tpt180 58.34 32.49 22.13 Favored 'General case' 0 CA--C 1.555 1.154 0 CA-C-O 122.178 0.99 . . . . 0.0 110.497 176.296 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.08 -25.75 12.32 Favored Glycine 0 N--CA 1.444 -0.83 0 CA-C-N 115.259 -0.882 . . . . 0.0 112.311 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -79.99 94.53 5.93 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 120.637 0.256 . . . . 0.0 110.807 -178.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 79.3 m -94.55 131.3 40.43 Favored 'General case' 0 CA--C 1.479 -1.779 0 CA-C-O 121.457 0.646 . . . . 0.0 109.656 175.67 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.2 ttp180 -155.04 134.94 12.9 Favored 'General case' 0 C--N 1.272 -2.79 0 CA-C-N 114.426 -1.261 . . . . 0.0 109.108 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 82.0 m -101.0 141.36 34.01 Favored 'General case' 0 C--N 1.297 -1.694 0 C-N-CA 120.717 -0.393 . . . . 0.0 111.059 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.5 mm -114.08 119.31 60.87 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.994 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -179.354 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 70.0 m . . . . . 0 C--N 1.294 -1.811 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 176.918 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 84.3 m . . . . . 0 N--CA 1.441 -0.899 0 CA-C-O 121.547 0.689 . . . . 0.0 112.39 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.403 ' HD2' ' HA ' ' A' ' 4' ' ' ARG . 14.5 mmm180 -131.68 130.28 41.83 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 172.003 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 57.4 m -106.27 144.08 33.49 Favored 'General case' 0 C--N 1.291 -1.969 0 C-N-CA 119.241 -0.984 . . . . 0.0 111.347 -176.195 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 67.7 tp -134.62 128.94 34.12 Favored 'General case' 0 C--N 1.296 -1.745 0 CA-C-N 114.806 -1.088 . . . . 0.0 109.975 -178.743 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 75.2 m -102.14 112.71 25.49 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 173.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -116.87 103.44 10.3 Favored 'General case' 0 C--N 1.295 -1.797 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.909 -176.5 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 53.8 ttt180 65.67 21.95 11.62 Favored 'General case' 0 CA--C 1.558 1.276 0 CA-C-O 121.968 0.89 . . . . 0.0 111.394 174.717 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.87 -15.88 33.75 Favored Glycine 0 C--N 1.304 -1.211 0 N-CA-C 111.364 -0.695 . . . . 0.0 111.364 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -88.62 99.3 12.22 Favored 'General case' 0 C--N 1.312 -1.048 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 178.663 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 78.9 m -87.96 129.55 35.21 Favored 'General case' 0 C--N 1.294 -1.827 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 175.079 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 -147.81 148.57 31.05 Favored 'General case' 0 C--N 1.269 -2.914 0 CA-C-N 114.509 -1.223 . . . . 0.0 107.808 -174.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 61.9 m -112.44 135.67 52.86 Favored 'General case' 0 N--CA 1.404 -2.733 0 C-N-CA 119.314 -0.954 . . . . 0.0 110.85 177.661 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.4 mm -99.04 111.22 28.06 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.518 0 N-CA-C 106.402 -1.703 . . . . 0.0 106.402 177.373 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 80.5 m . . . . . 0 C--N 1.29 -1.987 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.44 -178.434 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 86.2 m . . . . . 0 N--CA 1.437 -1.106 0 CA-C-O 121.042 0.449 . . . . 0.0 110.131 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 46.2 ttt85 -133.92 126.04 29.53 Favored 'General case' 0 C--N 1.287 -2.122 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 173.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 60.7 m -100.19 150.84 22.11 Favored 'General case' 0 C--N 1.301 -1.52 0 C-N-CA 119.558 -0.857 . . . . 0.0 113.009 -174.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 pp -137.49 150.94 47.94 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 114.927 -1.033 . . . . 0.0 110.122 178.406 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 71.0 m -122.14 124.83 44.79 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-O 121.265 0.555 . . . . 0.0 110.923 177.468 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -125.22 105.11 8.89 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.989 -177.418 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.404 ' HG2' ' O ' ' A' ' 9' ' ' ARG . 73.7 ttt180 54.19 44.19 29.5 Favored 'General case' 0 CA--C 1.557 1.215 0 CA-C-O 122.367 1.08 . . . . 0.0 111.519 177.813 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.32 -5.4 83.35 Favored Glycine 0 C--N 1.31 -0.888 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.71 178.509 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -102.57 103.73 14.08 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 178.333 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 61.7 m -93.81 132.75 37.91 Favored 'General case' 0 C--N 1.29 -1.983 0 CA-C-O 121.719 0.771 . . . . 0.0 109.727 178.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.4 ttt180 -134.9 143.94 47.23 Favored 'General case' 0 C--N 1.276 -2.621 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 -178.586 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 68.2 m -110.19 136.69 49.01 Favored 'General case' 0 N--CA 1.409 -2.509 0 C-N-CA 119.461 -0.896 . . . . 0.0 110.514 178.197 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.5 mm -98.92 101.66 12.39 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.389 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.1 m . . . . . 0 C--N 1.296 -1.746 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 177.475 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 76.8 m . . . . . 0 N--CA 1.433 -1.276 0 CA-C-O 121.507 0.67 . . . . 0.0 112.117 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 4' ' ' ARG . 46.5 mtp180 -128.19 120.08 26.53 Favored 'General case' 0 C--N 1.291 -1.947 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 177.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 61.3 m -96.06 151.88 19.05 Favored 'General case' 0 C--N 1.281 -2.4 0 C-N-CA 120.485 -0.486 . . . . 0.0 111.533 -176.38 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 66.2 tp -136.21 140.67 43.7 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.941 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 69.8 m -121.27 119.63 32.78 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 174.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -134.31 131.42 38.34 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 62.23 27.19 16.32 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 124.627 1.171 . . . . 0.0 110.801 177.134 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.67 15.25 68.57 Favored Glycine 0 N--CA 1.441 -1.03 0 CA-C-N 115.333 -0.849 . . . . 0.0 112.198 179.02 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -121.11 120.97 36.85 Favored 'General case' 0 C--N 1.308 -1.23 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 84.1 m -101.93 137.41 40.26 Favored 'General case' 0 C--N 1.296 -1.746 0 CA-C-O 121.742 0.782 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.5 ptt180 -151.46 149.52 29.35 Favored 'General case' 0 C--N 1.281 -2.392 0 CA-C-N 114.649 -1.159 . . . . 0.0 108.911 -178.287 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 73.3 m -113.96 142.79 45.7 Favored 'General case' 0 C--N 1.297 -1.692 0 C-N-CA 119.713 -0.795 . . . . 0.0 112.229 -177.643 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.1 mp -121.44 135.68 60.8 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.184 0 N-CA-C 107.132 -1.433 . . . . 0.0 107.132 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.2 m . . . . . 0 C--N 1.303 -1.445 0 CA-C-O 121.417 0.627 . . . . 0.0 111.358 -178.41 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 63.3 m . . . . . 0 N--CA 1.43 -1.431 0 CA-C-O 121.267 0.556 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 22.2 tpp180 -131.06 143.26 50.55 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 105.789 -1.93 . . . . 0.0 105.789 175.583 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 51.5 m -100.87 144.77 29.41 Favored 'General case' 0 N--CA 1.419 -2.022 0 C-N-CA 118.77 -1.172 . . . . 0.0 111.732 -178.391 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 63.3 tp -134.87 139.94 45.42 Favored 'General case' 0 C--N 1.295 -1.762 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -176.747 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 43.6 m -112.08 124.85 53.32 Favored 'General case' 0 C--N 1.28 -2.442 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 178.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -108.97 103.23 12.23 Favored 'General case' 0 N--CA 1.421 -1.907 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.692 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.9 tpp180 55.71 40.69 30.84 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 124.256 1.022 . . . . 0.0 112.116 174.108 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.75 -14.96 53.03 Favored Glycine 0 N--CA 1.442 -0.929 0 C-N-CA 120.279 -0.962 . . . . 0.0 113.03 177.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -101.2 111.85 24.18 Favored 'General case' 0 CA--C 1.5 -0.978 0 CA-C-N 117.229 0.514 . . . . 0.0 111.306 178.581 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 76.1 m -89.41 130.76 35.71 Favored 'General case' 0 C--N 1.295 -1.771 0 CA-C-O 122.112 0.958 . . . . 0.0 110.731 177.314 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -142.38 161.9 36.85 Favored 'General case' 0 C--N 1.274 -2.716 0 CA-C-N 113.908 -1.497 . . . . 0.0 107.239 -175.496 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 49.3 m -121.55 134.48 55.03 Favored 'General case' 0 C--N 1.291 -1.966 0 C-N-CA 118.836 -1.146 . . . . 0.0 111.465 -179.687 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.0 mt -109.84 132.21 58.7 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 CA-C-N 114.768 -1.105 . . . . 0.0 108.286 -176.594 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 59.9 m . . . . . 0 C--N 1.296 -1.738 0 CA-C-O 121.177 0.513 . . . . 0.0 110.573 -176.887 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 73.1 m . . . . . 0 N--CA 1.436 -1.158 0 CA-C-O 121.07 0.462 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 19.8 ptp180 -136.62 138.83 41.59 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.498 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 58.8 m -101.86 132.65 47.51 Favored 'General case' 0 C--N 1.278 -2.521 0 C-N-CA 118.909 -1.116 . . . . 0.0 109.494 176.712 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.1 mt -123.79 140.02 53.4 Favored 'General case' 0 C--N 1.278 -2.517 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.006 -174.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 85.9 m -122.39 114.72 21.13 Favored 'General case' 0 C--N 1.28 -2.425 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 177.664 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 48.6 ttp180 -101.89 101.59 12.05 Favored 'General case' 0 C--N 1.293 -1.862 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.116 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 46.7 ttp180 49.34 51.43 16.34 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 113.762 -1.563 . . . . 0.0 111.484 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.07 -32.39 7.58 Favored Glycine 0 N--CA 1.436 -1.313 0 CA-C-N 115.424 -0.807 . . . . 0.0 113.709 178.372 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -86.33 110.55 19.75 Favored 'General case' 0 C--O 1.244 0.764 0 CA-C-N 117.67 0.735 . . . . 0.0 110.402 -176.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 69.0 m -100.13 142.93 30.94 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-O 121.426 0.632 . . . . 0.0 112.464 -176.465 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -156.41 151.16 25.94 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-N 115.016 -0.993 . . . . 0.0 108.667 174.377 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.498 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 59.1 m -104.14 126.12 51.0 Favored 'General case' 0 N--CA 1.426 -1.674 0 C-N-CA 119.601 -0.84 . . . . 0.0 110.792 179.186 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.9 mt -116.7 133.82 62.16 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.344 0 CA-C-N 114.294 -1.321 . . . . 0.0 109.148 -175.692 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 55.7 m . . . . . 0 C--N 1.293 -1.869 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.412 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.8 m . . . . . 0 N--CA 1.434 -1.226 0 CA-C-O 120.783 0.325 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 46.8 ttp180 -107.05 145.63 32.14 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 106.124 -1.806 . . . . 0.0 106.124 174.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.461 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 40.2 m -112.95 141.89 46.26 Favored 'General case' 0 N--CA 1.411 -2.404 0 C-N-CA 118.634 -1.226 . . . . 0.0 111.799 -177.124 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.4 tp -113.99 117.58 31.74 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-N 114.512 -1.222 . . . . 0.0 109.947 -179.321 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.443 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 72.7 m -95.33 122.67 38.28 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.838 178.202 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.4 mtp180 -129.26 110.06 11.65 Favored 'General case' 0 C--O 1.251 1.159 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 60.74 31.26 20.09 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-O 122.468 1.128 . . . . 0.0 110.157 177.426 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.33 -24.6 31.56 Favored Glycine 0 N--CA 1.435 -1.425 0 CA-C-N 115.301 -0.863 . . . . 0.0 112.745 178.63 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -90.2 114.95 27.03 Favored 'General case' 0 CA--C 1.505 -0.757 0 CA-C-O 121.106 0.479 . . . . 0.0 110.008 -178.353 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.443 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 31.0 m -100.37 129.58 46.36 Favored 'General case' 0 C--N 1.299 -1.599 0 CA-C-O 121.52 0.676 . . . . 0.0 110.709 -178.336 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -122.85 138.54 54.62 Favored 'General case' 0 C--N 1.286 -2.159 0 CA-C-N 114.409 -1.269 . . . . 0.0 108.071 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.461 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 46.5 m -105.89 134.76 48.49 Favored 'General case' 0 C--N 1.294 -1.842 0 C-N-CA 119.339 -0.944 . . . . 0.0 112.91 -176.532 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.5 mp -106.74 125.78 62.67 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 CA-C-N 114.593 -1.185 . . . . 0.0 108.132 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 59.9 m . . . . . 0 C--N 1.31 -1.129 0 CA-C-O 121.385 0.612 . . . . 0.0 111.693 -178.278 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.6 m . . . . . 0 N--CA 1.439 -0.986 0 CA-C-O 120.939 0.399 . . . . 0.0 110.467 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.9 ptp85 -147.53 144.81 28.79 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 177.725 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.46 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 78.2 m -108.76 143.35 38.02 Favored 'General case' 0 C--N 1.289 -2.055 0 C-N-CA 119.472 -0.891 . . . . 0.0 109.364 175.769 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 51.7 tp -134.05 143.24 47.93 Favored 'General case' 0 C--N 1.285 -2.228 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.652 -173.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 75.2 m -124.3 128.28 48.9 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 176.167 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 83.3 mtm180 -134.52 112.47 10.92 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.913 178.28 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.0 tpp180 59.43 35.32 22.93 Favored 'General case' 0 C--N 1.314 -0.971 0 C-N-CA 124.873 1.269 . . . . 0.0 111.755 173.434 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.49 -6.13 67.85 Favored Glycine 0 C--O 1.242 0.656 0 C-N-CA 120.808 -0.711 . . . . 0.0 113.071 177.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -103.36 107.32 18.1 Favored 'General case' 0 C--N 1.308 -1.208 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 178.507 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 78.7 m -98.53 132.78 43.68 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-O 121.577 0.704 . . . . 0.0 109.984 177.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -140.69 141.96 34.93 Favored 'General case' 0 C--N 1.271 -2.826 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 -176.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.46 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 74.0 m -104.32 135.38 45.88 Favored 'General case' 0 C--N 1.29 -1.981 0 C-N-CA 120.07 -0.652 . . . . 0.0 109.745 175.638 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.9 mp -121.64 121.29 64.09 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.151 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.124 -175.408 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.7 m . . . . . 0 C--N 1.3 -1.577 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 172.159 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 46.3 m . . . . . 0 N--CA 1.436 -1.125 0 CA-C-O 121.868 0.842 . . . . 0.0 110.581 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -114.74 142.46 46.49 Favored 'General case' 0 C--N 1.28 -2.453 0 CA-C-N 114.132 -1.394 . . . . 0.0 107.489 -177.715 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.523 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 59.4 m -104.71 143.45 33.08 Favored 'General case' 0 N--CA 1.417 -2.101 0 C-N-CA 118.774 -1.17 . . . . 0.0 109.719 176.751 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 pp -130.93 155.8 46.16 Favored 'General case' 0 C--N 1.289 -2.062 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.726 -177.105 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 74.8 m -131.9 114.1 14.25 Favored 'General case' 0 C--N 1.292 -1.896 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 176.213 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -120.75 114.4 21.58 Favored 'General case' 0 N--CA 1.423 -1.805 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 -178.625 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 55.21 46.73 23.18 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 125.178 1.391 . . . . 0.0 110.676 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.6 -22.88 18.62 Favored Glycine 0 N--CA 1.439 -1.116 0 CA-C-N 115.657 -0.701 . . . . 0.0 113.07 177.698 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -89.97 112.83 24.36 Favored 'General case' 0 C--O 1.247 0.965 0 CA-C-N 116.987 0.393 . . . . 0.0 110.267 -176.74 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 63.8 m -99.2 134.75 41.6 Favored 'General case' 0 C--N 1.294 -1.832 0 CA-C-O 121.713 0.768 . . . . 0.0 110.323 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.9 tpt180 -146.27 144.55 29.92 Favored 'General case' 0 C--N 1.277 -2.557 0 CA-C-N 114.34 -1.3 . . . . 0.0 107.857 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.523 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 69.8 m -99.29 141.7 31.72 Favored 'General case' 0 N--CA 1.415 -2.216 0 C-N-CA 119.958 -0.697 . . . . 0.0 109.398 175.801 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.5 tp -131.22 130.7 63.48 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.994 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.166 -178.161 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 60.4 m . . . . . 0 C--N 1.296 -1.724 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 174.55 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 53.0 m . . . . . 0 N--CA 1.432 -1.346 0 CA-C-O 121.216 0.532 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -129.41 139.14 51.75 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 -179.53 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 47.2 m -97.78 141.21 31.06 Favored 'General case' 0 N--CA 1.421 -1.912 0 CA-C-O 121.796 0.808 . . . . 0.0 111.983 -178.655 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 39.4 tp -105.79 119.18 38.49 Favored 'General case' 0 C--N 1.292 -1.923 0 N-CA-C 106.857 -1.534 . . . . 0.0 106.857 179.308 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 73.9 m -114.73 136.4 53.1 Favored 'General case' 0 C--N 1.289 -2.032 0 CA-C-O 120.818 0.342 . . . . 0.0 111.046 -178.497 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -143.57 111.32 6.01 Favored 'General case' 0 N--CA 1.433 -1.292 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 44.7 ttp180 56.07 44.42 25.38 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-O 122.386 1.089 . . . . 0.0 110.398 179.123 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.12 -17.44 37.44 Favored Glycine 0 N--CA 1.439 -1.142 0 CA-C-N 115.067 -0.97 . . . . 0.0 113.424 177.45 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -90.12 112.03 23.36 Favored 'General case' 0 CA--C 1.504 -0.826 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 -178.288 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 78.6 m -105.19 135.46 46.5 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 121.609 0.718 . . . . 0.0 111.471 -178.764 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -124.94 121.4 34.36 Favored 'General case' 0 C--N 1.287 -2.142 0 N-CA-C 106.547 -1.649 . . . . 0.0 106.547 179.075 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 60.5 m -95.06 132.56 39.82 Favored 'General case' 0 C--N 1.298 -1.632 0 C-N-CA 119.298 -0.961 . . . . 0.0 112.455 -177.765 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.2 mm -124.64 128.13 73.26 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 CA-C-N 114.523 -1.217 . . . . 0.0 109.721 -174.332 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 73.2 m . . . . . 0 N--CA 1.427 -1.625 0 CA-C-O 121.747 0.784 . . . . 0.0 111.189 177.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 83.0 m . . . . . 0 N--CA 1.433 -1.308 0 CA-C-O 121.089 0.471 . . . . 0.0 111.626 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -132.86 131.34 40.86 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 177.725 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.5 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 64.5 m -100.83 131.56 46.65 Favored 'General case' 0 C--N 1.278 -2.508 0 C-N-CA 118.626 -1.229 . . . . 0.0 109.453 174.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 91.4 mt -125.2 148.29 48.69 Favored 'General case' 0 C--N 1.272 -2.766 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.784 -175.412 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 76.4 m -127.23 122.3 33.6 Favored 'General case' 0 C--N 1.293 -1.887 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 178.013 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.1 mtp180 -120.5 101.26 7.64 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 116.185 -0.462 . . . . 0.0 109.984 -178.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.1 tpp180 66.81 22.46 10.25 Favored 'General case' 0 CA--C 1.554 1.128 0 CA-C-O 122.259 1.028 . . . . 0.0 111.233 174.759 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.61 -15.35 26.94 Favored Glycine 0 N--CA 1.437 -1.249 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.793 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -86.28 103.02 14.49 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 177.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 77.3 m -96.4 134.49 39.49 Favored 'General case' 0 C--N 1.291 -1.946 0 CA-C-O 121.461 0.648 . . . . 0.0 109.914 177.094 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -149.5 142.99 25.36 Favored 'General case' 0 C--N 1.281 -2.401 0 CA-C-N 114.56 -1.2 . . . . 0.0 108.498 -177.124 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.5 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 58.9 m -105.95 128.37 53.76 Favored 'General case' 0 C--N 1.301 -1.513 0 C-N-CA 119.39 -0.924 . . . . 0.0 110.271 177.721 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.0 mm -114.67 137.16 48.98 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.43 0 CA-C-N 114.754 -1.112 . . . . 0.0 109.391 -175.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 55.8 m . . . . . 0 C--N 1.308 -1.211 0 CA-C-O 121.358 0.599 . . . . 0.0 110.413 178.945 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.756 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -115.15 140.16 49.31 Favored 'General case' 0 C--N 1.311 -1.105 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 58.6 m -115.7 130.41 56.84 Favored 'General case' 0 C--N 1.294 -1.841 0 CA-C-O 121.475 0.655 . . . . 0.0 111.183 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -119.75 140.69 50.32 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 107.018 -1.475 . . . . 0.0 107.018 177.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 58.7 m -111.19 151.5 28.14 Favored 'General case' 0 C--N 1.286 -2.16 0 C-N-CA 119.563 -0.855 . . . . 0.0 111.977 -173.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -139.06 154.51 48.21 Favored 'General case' 0 N--CA 1.434 -1.247 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.963 -178.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 76.0 m -121.29 113.38 19.85 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 174.331 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.431 ' O ' ' HB3' ' A' ' 11' ' ' ASP . 1.3 tmm_? -108.68 98.69 8.16 Favored 'General case' 0 C--N 1.284 -2.249 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.231 -176.303 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 61.43 34.94 17.94 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.397 1.079 . . . . 0.0 110.528 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.5 -16.3 60.77 Favored Glycine 0 C--N 1.311 -0.829 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.958 -179.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.431 ' HB3' ' O ' ' A' ' 8' ' ' ARG . 23.2 t70 -85.02 96.72 9.49 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 61.5 m -91.1 134.69 34.32 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-O 121.712 0.768 . . . . 0.0 111.035 -179.42 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -158.56 167.13 30.41 Favored 'General case' 0 C--N 1.292 -1.93 0 CA-C-N 114.383 -1.28 . . . . 0.0 108.603 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 63.2 m -117.75 147.9 42.55 Favored 'General case' 0 C--N 1.298 -1.657 0 C-N-CA 119.984 -0.686 . . . . 0.0 111.437 -179.284 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.4 tt -121.71 133.97 66.49 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.222 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 177.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.7 m -114.38 140.71 48.44 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-O 121.277 0.56 . . . . 0.0 111.361 -177.149 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.5 t -158.15 142.1 15.67 Favored 'General case' 0 N--CA 1.427 -1.619 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 178.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.448 ' HG2' ' O ' ' A' ' 18' ' ' ARG . 64.5 ttt180 . . . . . 0 CA--C 1.558 1.258 0 C-N-CA 124.524 1.129 . . . . 0.0 111.525 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.481 0 CA-C-O 120.545 -0.03 . . . . 0.0 113.107 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -88.62 136.13 33.15 Favored 'General case' 0 C--N 1.307 -1.24 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 -179.012 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 45.9 m -125.88 128.53 47.74 Favored 'General case' 0 C--N 1.293 -1.859 0 CA-C-O 121.16 0.505 . . . . 0.0 110.761 -178.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.2 ppt_? -126.22 143.26 51.21 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 176.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 38.8 m -102.12 141.1 35.5 Favored 'General case' 0 C--N 1.289 -2.039 0 C-N-CA 119.311 -0.956 . . . . 0.0 112.13 -173.719 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.43 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 50.3 tp -129.64 140.06 51.26 Favored 'General case' 0 C--N 1.297 -1.716 0 CA-C-N 114.826 -1.079 . . . . 0.0 109.952 -175.505 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.466 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 66.9 m -104.83 111.3 23.99 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 172.681 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -118.62 108.08 14.5 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-N 115.171 -0.922 . . . . 0.0 108.578 -174.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 55.18 44.13 28.24 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-O 122.796 1.284 . . . . 0.0 110.478 -179.2 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.06 -27.24 15.47 Favored Glycine 0 N--CA 1.43 -1.735 0 CA-C-N 115.09 -0.959 . . . . 0.0 113.263 178.072 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -89.51 113.34 24.71 Favored 'General case' 0 CA--C 1.493 -1.212 0 C-N-CA 120.044 -0.662 . . . . 0.0 110.804 -175.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.466 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 39.0 m -89.6 120.77 31.19 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 175.062 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.2 tpp180 -134.46 148.78 50.66 Favored 'General case' 0 C--N 1.267 -3.006 0 N-CA-C 106.679 -1.6 . . . . 0.0 106.679 -174.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 56.9 m -105.0 128.84 53.47 Favored 'General case' 0 C--N 1.289 -2.05 0 C-N-CA 118.999 -1.08 . . . . 0.0 111.368 179.416 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.4 mm -103.6 120.2 53.3 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.004 0 CA-C-N 114.299 -1.319 . . . . 0.0 108.863 -175.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 75.4 m -101.98 143.04 32.34 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-O 121.055 0.455 . . . . 0.0 110.201 178.069 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.5 m -151.52 125.53 9.2 Favored 'General case' 0 C--N 1.298 -1.664 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 177.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 55.9 ttp180 . . . . . 0 CA--C 1.56 1.353 0 C-N-CA 125.3 1.44 . . . . 0.0 111.645 -178.63 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.434 0 N-CA-C 113.159 0.024 . . . . 0.0 113.159 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -83.81 123.21 29.65 Favored 'General case' 0 CA--C 1.498 -1.04 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -178.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.0 m -112.65 131.81 55.46 Favored 'General case' 0 C--N 1.275 -2.647 0 CA-C-O 121.45 0.643 . . . . 0.0 110.997 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 41.4 ptt85 -134.28 129.96 36.36 Favored 'General case' 0 C--N 1.285 -2.209 0 CA-C-N 114.643 -1.162 . . . . 0.0 108.471 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.47 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 72.0 m -98.12 154.0 18.05 Favored 'General case' 0 C--N 1.283 -2.287 0 C-N-CA 119.973 -0.691 . . . . 0.0 110.127 177.704 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.2 tp -146.19 128.25 15.58 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-O 120.965 0.412 . . . . 0.0 110.998 -178.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 71.1 m -94.29 109.49 21.3 Favored 'General case' 0 N--CA 1.429 -1.485 0 CA-C-O 121.656 0.741 . . . . 0.0 109.128 171.516 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 20.3 tpt180 -119.21 120.79 38.08 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 113.918 -1.492 . . . . 0.0 108.434 -174.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 64.2 ttt180 61.44 29.72 18.58 Favored 'General case' 0 CA--C 1.562 1.432 0 CA-C-O 122.535 1.16 . . . . 0.0 110.383 178.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.44 -11.0 57.61 Favored Glycine 0 C--O 1.244 0.751 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.421 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -100.64 120.35 39.92 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 -177.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 35.8 m -96.33 132.0 42.28 Favored 'General case' 0 C--N 1.291 -1.944 0 CA-C-O 121.372 0.606 . . . . 0.0 111.119 -175.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -134.3 158.34 44.02 Favored 'General case' 0 C--N 1.294 -1.826 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 -178.592 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.47 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 79.7 m -120.15 143.52 48.16 Favored 'General case' 0 C--N 1.287 -2.129 0 C-N-CA 119.574 -0.85 . . . . 0.0 110.037 176.053 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.7 mp -124.47 119.67 57.02 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.77 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.096 -178.283 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.0 m -106.45 139.5 40.84 Favored 'General case' 0 C--N 1.292 -1.899 0 N-CA-C 109.063 -0.718 . . . . 0.0 109.063 174.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.3 m -146.39 117.45 7.78 Favored 'General case' 0 C--N 1.28 -2.446 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -179.147 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.8 ttp180 . . . . . 0 C--N 1.307 -1.272 0 C-N-CA 125.076 1.351 . . . . 0.0 110.904 179.692 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.23 0 CA-C-O 120.231 -0.205 . . . . 0.0 113.278 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -99.91 139.75 35.13 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 -177.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.45 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 61.7 m -103.85 119.55 39.16 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-O 122.223 1.011 . . . . 0.0 111.132 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -117.2 139.15 51.14 Favored 'General case' 0 C--N 1.284 -2.247 0 CA-C-N 114.179 -1.373 . . . . 0.0 108.071 -176.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.527 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 16.8 m -94.57 144.36 25.65 Favored 'General case' 0 CA--C 1.481 -1.687 0 C-N-CA 118.623 -1.231 . . . . 0.0 113.245 179.141 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -124.55 130.39 52.36 Favored 'General case' 0 C--N 1.28 -2.422 0 CA-C-N 113.187 -1.824 . . . . 0.0 108.039 178.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.444 ' HA ' ' O ' ' A' ' 11' ' ' ASP . 81.2 m -112.96 135.26 53.92 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-O 121.007 0.432 . . . . 0.0 110.644 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -131.03 99.67 4.97 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 108.779 -0.822 . . . . 0.0 108.779 176.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 52.36 55.15 9.55 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 124.351 1.06 . . . . 0.0 110.323 178.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.29 -32.07 6.23 Favored Glycine 0 N--CA 1.442 -0.945 0 CA-C-N 115.497 -0.774 . . . . 0.0 112.699 179.357 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.444 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 16.7 t70 -75.37 97.62 3.66 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-O 121.129 0.49 . . . . 0.0 110.787 -177.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.2 m -102.45 127.18 49.59 Favored 'General case' 0 C--N 1.287 -2.112 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.56 177.086 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -145.06 149.64 35.43 Favored 'General case' 0 C--N 1.27 -2.863 0 CA-C-N 114.416 -1.265 . . . . 0.0 108.101 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.527 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 4.1 m -95.13 140.24 30.34 Favored 'General case' 0 CA--C 1.478 -1.797 0 CA-C-O 122.392 1.091 . . . . 0.0 113.001 178.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.5 mt -119.98 130.57 74.08 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.646 0 CA-C-N 112.849 -1.978 . . . . 0.0 106.629 176.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.45 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 15.4 m -102.0 137.25 40.53 Favored 'General case' 0 C--N 1.287 -2.113 0 C-N-CA 119.593 -0.843 . . . . 0.0 110.187 -179.129 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.8 m -145.81 135.87 23.69 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 178.29 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 56.9 ttt180 . . . . . 0 CA--C 1.549 0.925 0 C-N-CA 124.213 1.005 . . . . 0.0 109.927 -179.732 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.363 0 N-CA-C 115.226 0.85 . . . . 0.0 115.226 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -121.21 130.56 53.76 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 118.014 0.907 . . . . 0.0 109.38 177.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 76.7 m -117.8 138.17 52.25 Favored 'General case' 0 C--N 1.29 -1.996 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.548 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.4 ttp180 -139.15 137.4 36.06 Favored 'General case' 0 C--N 1.29 -1.981 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 62.5 m -111.17 146.07 37.54 Favored 'General case' 0 C--N 1.298 -1.655 0 C-N-CA 119.151 -1.02 . . . . 0.0 112.678 -175.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -120.54 131.08 54.51 Favored 'General case' 0 C--N 1.291 -1.958 0 N-CA-C 106.196 -1.779 . . . . 0.0 106.196 178.431 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 82.0 m -121.64 134.68 54.99 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-O 120.577 0.227 . . . . 0.0 111.07 -177.146 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 75.8 mtm180 -136.53 108.31 7.06 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 61.97 34.27 16.84 Favored 'General case' 0 CA--C 1.563 1.464 0 CA-C-O 122.355 1.074 . . . . 0.0 110.032 175.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.38 -18.21 55.19 Favored Glycine 0 C--N 1.315 -0.62 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.155 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -80.09 104.07 10.4 Favored 'General case' 0 CA--C 1.494 -1.174 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 85.9 m -101.23 134.92 43.54 Favored 'General case' 0 N--CA 1.418 -2.054 0 CA-C-O 122.023 0.916 . . . . 0.0 109.925 177.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.2 ttm180 -132.41 132.18 42.55 Favored 'General case' 0 C--N 1.265 -3.087 0 N-CA-C 106.061 -1.829 . . . . 0.0 106.061 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 57.9 m -110.53 134.89 51.96 Favored 'General case' 0 C--N 1.279 -2.468 0 C-N-CA 119.348 -0.941 . . . . 0.0 111.689 -174.468 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.2 tt -107.26 115.63 49.06 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.325 0 CA-C-N 114.397 -1.274 . . . . 0.0 109.909 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 62.3 m -107.69 137.61 45.41 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 176.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.9 m -145.14 126.86 15.25 Favored 'General case' 0 C--N 1.281 -2.392 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 176.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.434 ' HD2' ' HA ' ' A' ' 18' ' ' ARG . 22.8 tpt180 . . . . . 0 C--N 1.31 -1.152 0 C-N-CA 126.567 1.947 . . . . 0.0 113.652 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.545 0 CA-C-O 120.528 -0.04 . . . . 0.0 113.195 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -121.94 143.63 49.35 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 62.4 m -125.96 140.89 52.25 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-O 121.324 0.583 . . . . 0.0 112.561 -176.22 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 37.8 mmt180 -130.2 148.31 52.02 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 105.898 -1.89 . . . . 0.0 105.898 170.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 80.3 m -109.41 151.47 26.63 Favored 'General case' 0 C--N 1.296 -1.736 0 C-N-CA 119.198 -1.001 . . . . 0.0 112.759 -177.364 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 35.1 tp -135.6 129.02 32.26 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 124.31 1.044 . . . . 0.0 110.242 -174.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 72.7 m -105.0 118.0 35.42 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-O 121.003 0.43 . . . . 0.0 110.846 177.502 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.512 ' HA ' ' NE ' ' A' ' 8' ' ' ARG . 3.9 mmp_? -114.78 101.16 8.8 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.064 178.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 54.72 43.69 29.71 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-O 122.677 1.227 . . . . 0.0 110.705 177.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.14 -27.12 19.81 Favored Glycine 0 N--CA 1.443 -0.837 0 CA-C-N 114.763 -1.108 . . . . 0.0 113.136 178.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -82.99 102.47 11.76 Favored 'General case' 0 CA--C 1.503 -0.851 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 -179.338 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 59.6 m -92.09 122.13 34.3 Favored 'General case' 0 N--CA 1.425 -1.721 0 CA-C-O 122.192 0.996 . . . . 0.0 109.981 179.694 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 55.2 mtp85 -122.82 165.23 16.95 Favored 'General case' 0 C--N 1.265 -3.08 0 CA-C-N 113.111 -1.859 . . . . 0.0 106.598 -174.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 75.3 m -128.58 136.35 50.61 Favored 'General case' 0 N--CA 1.411 -2.403 0 C-N-CA 119.519 -0.872 . . . . 0.0 110.744 177.57 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.3 mt -99.94 114.84 39.59 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.19 0 CA-C-N 114.455 -1.248 . . . . 0.0 107.804 -178.053 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.0 m -116.91 132.41 56.71 Favored 'General case' 0 C--N 1.289 -2.055 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 177.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.2 m -155.03 142.5 19.65 Favored 'General case' 0 C--N 1.275 -2.648 0 N-CA-C 106.958 -1.497 . . . . 0.0 106.958 178.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 . . . . . 0 CA--C 1.549 0.928 0 C-N-CA 124.674 1.19 . . . . 0.0 110.488 179.729 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.882 0 CA-C-O 120.438 -0.09 . . . . 0.0 113.304 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -118.47 143.41 46.73 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 122.118 -0.637 . . . . 0.0 109.832 -174.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.503 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 35.1 m -92.35 127.83 37.98 Favored 'General case' 0 CA--C 1.496 -1.098 0 CA-C-O 122.509 1.147 . . . . 0.0 113.802 -179.509 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -125.63 155.65 40.45 Favored 'General case' 0 C--N 1.28 -2.45 0 N-CA-C 104.582 -2.377 . . . . 0.0 104.582 178.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 10.9 m -114.53 135.21 54.38 Favored 'General case' 0 N--CA 1.412 -2.367 0 C-N-CA 117.931 -1.508 . . . . 0.0 111.946 -174.471 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.9 mp -120.94 149.67 42.28 Favored 'General case' 0 C--N 1.298 -1.657 0 CA-C-N 114.576 -1.193 . . . . 0.0 109.465 -178.228 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 55.8 m -111.7 129.41 56.11 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-O 121.477 0.656 . . . . 0.0 111.421 -178.142 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 8' ' ' ARG . 29.2 mmt180 -124.69 101.23 7.01 Favored 'General case' 0 N--CA 1.434 -1.272 0 CA-C-N 114.781 -1.1 . . . . 0.0 109.93 178.158 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 60.97 40.6 15.16 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 122.511 1.148 . . . . 0.0 110.23 176.188 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.97 -17.48 59.21 Favored Glycine 0 N--CA 1.436 -1.317 0 CA-C-N 114.676 -1.147 . . . . 0.0 111.977 179.046 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -87.6 96.05 10.27 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -178.032 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 59.5 m -87.39 119.69 27.92 Favored 'General case' 0 CA--C 1.471 -2.086 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 176.248 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.9 ttm-85 -135.27 143.41 46.25 Favored 'General case' 0 C--N 1.257 -3.421 0 CA-C-N 114.303 -1.317 . . . . 0.0 108.273 -173.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 34.9 m -97.02 136.92 36.89 Favored 'General case' 0 C--N 1.285 -2.23 0 C-N-CA 119.116 -1.033 . . . . 0.0 111.687 -175.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.7 tp -133.0 145.48 34.1 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.064 0 CA-C-N 114.711 -1.131 . . . . 0.0 109.288 -179.206 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.503 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 53.7 m -96.64 136.29 37.37 Favored 'General case' 0 CA--C 1.48 -1.742 0 CA-C-O 122.357 1.075 . . . . 0.0 110.391 176.306 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.0 m -141.92 138.47 32.05 Favored 'General case' 0 C--N 1.265 -3.072 0 N-CA-C 104.627 -2.36 . . . . 0.0 104.627 177.177 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.438 ' HG2' ' O ' ' A' ' 18' ' ' ARG . 65.2 ttt180 . . . . . 0 CA--C 1.568 1.648 0 CA-C-O 121.99 0.9 . . . . 0.0 110.579 -177.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.572 0 N-CA-C 112.289 -0.324 . . . . 0.0 112.289 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -125.45 146.67 49.52 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 -178.047 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 82.2 m -112.88 120.41 41.34 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-O 121.663 0.744 . . . . 0.0 110.48 176.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -111.63 135.1 52.68 Favored 'General case' 0 C--N 1.283 -2.313 0 N-CA-C 106.811 -1.552 . . . . 0.0 106.811 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 58.7 m -111.62 148.55 33.1 Favored 'General case' 0 C--N 1.286 -2.183 0 C-N-CA 119.095 -1.042 . . . . 0.0 112.348 -174.289 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.7 mt -133.71 159.69 39.8 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-N 114.937 -1.028 . . . . 0.0 108.483 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 62.2 m -129.3 132.88 47.24 Favored 'General case' 0 C--N 1.293 -1.873 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 175.485 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -145.88 142.18 28.53 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 107.505 -1.294 . . . . 0.0 107.505 178.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.421 ' HG2' ' O ' ' A' ' 9' ' ' ARG . 37.7 ttp180 66.94 10.54 7.73 Favored 'General case' 0 N--CA 1.493 1.706 0 CA-C-O 121.584 0.707 . . . . 0.0 111.162 177.829 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.0 12.24 83.59 Favored Glycine 0 C--N 1.315 -0.603 0 N-CA-C 109.977 -1.249 . . . . 0.0 109.977 -173.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -113.19 109.57 18.99 Favored 'General case' 0 C--N 1.307 -1.25 0 C-N-CA 125.004 1.322 . . . . 0.0 107.83 -177.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 72.3 m -84.92 138.41 32.53 Favored 'General case' 0 C--N 1.297 -1.7 0 C-N-CA 119.808 -0.757 . . . . 0.0 110.59 179.453 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -142.08 138.96 32.1 Favored 'General case' 0 C--N 1.283 -2.313 0 CA-C-N 115.137 -0.938 . . . . 0.0 108.714 -171.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 79.5 m -109.39 140.35 43.21 Favored 'General case' 0 C--N 1.284 -2.248 0 C-N-CA 119.621 -0.831 . . . . 0.0 111.337 -179.37 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.6 mm -110.84 125.28 68.14 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.139 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 62.4 m -115.24 128.1 55.92 Favored 'General case' 0 C--N 1.293 -1.874 0 CA-C-O 121.255 0.55 . . . . 0.0 109.944 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.5 t -166.02 150.62 8.18 Favored 'General case' 0 C--N 1.279 -2.457 0 CA-C-N 114.701 -1.136 . . . . 0.0 108.064 -176.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.8 ttm180 . . . . . 0 CA--C 1.552 1.026 0 C-N-CA 124.64 1.176 . . . . 0.0 110.043 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.069 0 CA-C-O 120.437 -0.09 . . . . 0.0 112.882 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -95.43 135.89 36.49 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 47.7 m -113.07 143.89 43.56 Favored 'General case' 0 C--N 1.293 -1.861 0 CA-C-O 121.19 0.519 . . . . 0.0 111.612 -176.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 19.1 ttp85 -148.26 146.54 28.67 Favored 'General case' 0 C--N 1.308 -1.2 0 N-CA-C 107.075 -1.454 . . . . 0.0 107.075 179.192 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.47 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 57.7 m -104.51 146.05 29.42 Favored 'General case' 0 C--N 1.292 -1.912 0 C-N-CA 119.95 -0.7 . . . . 0.0 111.911 -177.153 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 91.2 mt -128.0 130.0 47.64 Favored 'General case' 0 N--CA 1.435 -1.196 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.704 -179.01 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 86.3 m -108.92 117.38 34.04 Favored 'General case' 0 C--N 1.291 -1.946 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 172.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 76.9 mtm180 -114.71 97.25 6.16 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.534 -174.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 54.6 42.47 31.26 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-O 122.245 1.021 . . . . 0.0 110.176 177.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.84 -27.8 18.82 Favored Glycine 0 N--CA 1.437 -1.294 0 CA-C-N 115.105 -0.952 . . . . 0.0 112.857 179.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -84.04 104.05 13.78 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 120.936 0.398 . . . . 0.0 110.802 -178.02 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 62.8 m -97.22 134.94 39.86 Favored 'General case' 0 C--N 1.297 -1.701 0 CA-C-O 121.779 0.8 . . . . 0.0 111.126 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -149.0 136.93 20.66 Favored 'General case' 0 C--N 1.28 -2.414 0 CA-C-N 114.148 -1.387 . . . . 0.0 108.294 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.47 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 63.7 m -97.05 136.25 37.87 Favored 'General case' 0 N--CA 1.426 -1.638 0 C-N-CA 119.633 -0.827 . . . . 0.0 109.963 177.042 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.7 tp -123.0 137.71 55.53 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.099 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.281 -174.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 61.8 m -111.72 139.1 47.47 Favored 'General case' 0 C--N 1.29 -1.997 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 176.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.2 t -144.16 124.32 13.7 Favored 'General case' 0 N--CA 1.417 -2.08 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.538 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 . . . . . 0 CA--C 1.554 1.124 0 C-N-CA 125.305 1.442 . . . . 0.0 110.474 -178.471 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.624 0 N-CA-C 112.077 -0.409 . . . . 0.0 112.077 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -102.69 142.86 33.14 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 -179.233 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 84.4 m -121.15 128.61 52.67 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-O 121.18 0.514 . . . . 0.0 110.86 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.6 ptt180 -130.62 136.03 48.46 Favored 'General case' 0 C--N 1.286 -2.176 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 178.074 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 57.8 m -113.06 149.71 33.05 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 -171.093 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -127.39 129.93 48.45 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 114.92 -1.037 . . . . 0.0 109.996 178.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 90.9 m -116.84 112.75 21.53 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 172.451 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 77.2 mtm180 -118.08 98.05 6.12 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.015 -173.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.6 tpt180 58.34 32.49 22.13 Favored 'General case' 0 CA--C 1.555 1.154 0 CA-C-O 122.178 0.99 . . . . 0.0 110.497 176.296 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.08 -25.75 12.32 Favored Glycine 0 N--CA 1.444 -0.83 0 CA-C-N 115.259 -0.882 . . . . 0.0 112.311 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -79.99 94.53 5.93 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 120.637 0.256 . . . . 0.0 110.807 -178.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 79.3 m -94.55 131.3 40.43 Favored 'General case' 0 CA--C 1.479 -1.779 0 CA-C-O 121.457 0.646 . . . . 0.0 109.656 175.67 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.2 ttp180 -155.04 134.94 12.9 Favored 'General case' 0 C--N 1.272 -2.79 0 CA-C-N 114.426 -1.261 . . . . 0.0 109.108 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 82.0 m -101.0 141.36 34.01 Favored 'General case' 0 C--N 1.297 -1.694 0 C-N-CA 120.717 -0.393 . . . . 0.0 111.059 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.5 mm -114.08 119.31 60.87 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.994 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -179.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 70.0 m -110.12 131.26 55.22 Favored 'General case' 0 C--N 1.294 -1.811 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 176.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.3 t -154.17 137.85 16.09 Favored 'General case' 0 C--N 1.277 -2.548 0 CA-C-N 114.929 -1.032 . . . . 0.0 108.661 -176.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 . . . . . 0 CA--C 1.564 1.484 0 C-N-CA 124.131 0.972 . . . . 0.0 110.539 -179.582 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.56 0 N-CA-C 113.477 0.151 . . . . 0.0 113.477 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -88.99 128.6 35.71 Favored 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 178.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 84.3 m -125.67 139.78 53.27 Favored 'General case' 0 C--N 1.283 -2.299 0 CA-C-O 121.547 0.689 . . . . 0.0 112.39 -177.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.403 ' HD2' ' HA ' ' A' ' 4' ' ' ARG . 14.5 mmm180 -131.68 130.28 41.83 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 172.003 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 57.4 m -106.27 144.08 33.49 Favored 'General case' 0 C--N 1.291 -1.969 0 C-N-CA 119.241 -0.984 . . . . 0.0 111.347 -176.195 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 67.7 tp -134.62 128.94 34.12 Favored 'General case' 0 C--N 1.296 -1.745 0 CA-C-N 114.806 -1.088 . . . . 0.0 109.975 -178.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 75.2 m -102.14 112.71 25.49 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 173.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -116.87 103.44 10.3 Favored 'General case' 0 C--N 1.295 -1.797 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.909 -176.5 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 53.8 ttt180 65.67 21.95 11.62 Favored 'General case' 0 CA--C 1.558 1.276 0 CA-C-O 121.968 0.89 . . . . 0.0 111.394 174.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.87 -15.88 33.75 Favored Glycine 0 C--N 1.304 -1.211 0 N-CA-C 111.364 -0.695 . . . . 0.0 111.364 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -88.62 99.3 12.22 Favored 'General case' 0 C--N 1.312 -1.048 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 178.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 78.9 m -87.96 129.55 35.21 Favored 'General case' 0 C--N 1.294 -1.827 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 175.079 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 -147.81 148.57 31.05 Favored 'General case' 0 C--N 1.269 -2.914 0 CA-C-N 114.509 -1.223 . . . . 0.0 107.808 -174.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 61.9 m -112.44 135.67 52.86 Favored 'General case' 0 N--CA 1.404 -2.733 0 C-N-CA 119.314 -0.954 . . . . 0.0 110.85 177.661 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.4 mm -99.04 111.22 28.06 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.518 0 N-CA-C 106.402 -1.703 . . . . 0.0 106.402 177.373 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 80.5 m -117.55 144.15 45.4 Favored 'General case' 0 C--N 1.29 -1.987 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.44 -178.434 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.0 t -149.24 123.08 9.31 Favored 'General case' 0 N--CA 1.41 -2.465 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.126 177.463 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.1 tpp180 . . . . . 0 C--N 1.304 -1.393 0 C-N-CA 126.136 1.775 . . . . 0.0 112.694 -177.901 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.098 0 N-CA-C 112.308 -0.317 . . . . 0.0 112.308 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -118.35 132.02 56.29 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-O 121.223 0.535 . . . . 0.0 110.606 -179.273 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 86.2 m -109.9 135.48 50.71 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.131 176.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 46.2 ttt85 -133.92 126.04 29.53 Favored 'General case' 0 C--N 1.287 -2.122 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 173.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 60.7 m -100.19 150.84 22.11 Favored 'General case' 0 C--N 1.301 -1.52 0 C-N-CA 119.558 -0.857 . . . . 0.0 113.009 -174.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 pp -137.49 150.94 47.94 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 114.927 -1.033 . . . . 0.0 110.122 178.406 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 71.0 m -122.14 124.83 44.79 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-O 121.265 0.555 . . . . 0.0 110.923 177.468 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -125.22 105.11 8.89 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.989 -177.418 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.404 ' HG2' ' O ' ' A' ' 9' ' ' ARG . 73.7 ttt180 54.19 44.19 29.5 Favored 'General case' 0 CA--C 1.557 1.215 0 CA-C-O 122.367 1.08 . . . . 0.0 111.519 177.813 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.32 -5.4 83.35 Favored Glycine 0 C--N 1.31 -0.888 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.71 178.509 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -102.57 103.73 14.08 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 178.333 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 61.7 m -93.81 132.75 37.91 Favored 'General case' 0 C--N 1.29 -1.983 0 CA-C-O 121.719 0.771 . . . . 0.0 109.727 178.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.4 ttt180 -134.9 143.94 47.23 Favored 'General case' 0 C--N 1.276 -2.621 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 -178.586 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 68.2 m -110.19 136.69 49.01 Favored 'General case' 0 N--CA 1.409 -2.509 0 C-N-CA 119.461 -0.896 . . . . 0.0 110.514 178.197 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.5 mm -98.92 101.66 12.39 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.389 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.1 m -107.45 124.47 49.92 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 177.475 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 59.4 m -158.97 143.46 15.64 Favored 'General case' 0 C--N 1.27 -2.888 0 N-CA-C 107.1 -1.444 . . . . 0.0 107.1 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 . . . . . 0 C--N 1.319 -0.718 0 C-N-CA 124.886 1.274 . . . . 0.0 110.809 177.768 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.415 0 N-CA-C 113.309 0.084 . . . . 0.0 113.309 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -102.75 126.13 49.75 Favored 'General case' 0 N--CA 1.434 -1.27 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 76.8 m -105.69 135.07 47.77 Favored 'General case' 0 C--N 1.284 -2.272 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.117 -176.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 4' ' ' ARG . 46.5 mtp180 -128.19 120.08 26.53 Favored 'General case' 0 C--N 1.291 -1.947 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 177.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 61.3 m -96.06 151.88 19.05 Favored 'General case' 0 C--N 1.281 -2.4 0 C-N-CA 120.485 -0.486 . . . . 0.0 111.533 -176.38 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 66.2 tp -136.21 140.67 43.7 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.941 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 69.8 m -121.27 119.63 32.78 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 174.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -134.31 131.42 38.34 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 62.23 27.19 16.32 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 124.627 1.171 . . . . 0.0 110.801 177.134 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.67 15.25 68.57 Favored Glycine 0 N--CA 1.441 -1.03 0 CA-C-N 115.333 -0.849 . . . . 0.0 112.198 179.02 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -121.11 120.97 36.85 Favored 'General case' 0 C--N 1.308 -1.23 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 84.1 m -101.93 137.41 40.26 Favored 'General case' 0 C--N 1.296 -1.746 0 CA-C-O 121.742 0.782 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.5 ptt180 -151.46 149.52 29.35 Favored 'General case' 0 C--N 1.281 -2.392 0 CA-C-N 114.649 -1.159 . . . . 0.0 108.911 -178.287 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 73.3 m -113.96 142.79 45.7 Favored 'General case' 0 C--N 1.297 -1.692 0 C-N-CA 119.713 -0.795 . . . . 0.0 112.229 -177.643 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.1 mp -121.44 135.68 60.8 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.184 0 N-CA-C 107.132 -1.433 . . . . 0.0 107.132 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.2 m -124.08 144.42 49.88 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-O 121.417 0.627 . . . . 0.0 111.358 -178.41 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.5 m -148.96 129.01 13.52 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 177.131 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 . . . . . 0 C--N 1.306 -1.296 0 C-N-CA 125.856 1.662 . . . . 0.0 110.49 -178.684 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.773 0 N-CA-C 112.638 -0.185 . . . . 0.0 112.638 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -114.57 141.7 47.41 Favored 'General case' 0 C--N 1.312 -1.054 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 -179.072 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 63.3 m -122.02 139.0 54.22 Favored 'General case' 0 C--N 1.3 -1.572 0 CA-C-O 121.267 0.556 . . . . 0.0 111.117 -178.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 22.2 tpp180 -131.06 143.26 50.55 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 105.789 -1.93 . . . . 0.0 105.789 175.583 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 51.5 m -100.87 144.77 29.41 Favored 'General case' 0 N--CA 1.419 -2.022 0 C-N-CA 118.77 -1.172 . . . . 0.0 111.732 -178.391 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 63.3 tp -134.87 139.94 45.42 Favored 'General case' 0 C--N 1.295 -1.762 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -176.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 43.6 m -112.08 124.85 53.32 Favored 'General case' 0 C--N 1.28 -2.442 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 178.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -108.97 103.23 12.23 Favored 'General case' 0 N--CA 1.421 -1.907 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.692 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.9 tpp180 55.71 40.69 30.84 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 124.256 1.022 . . . . 0.0 112.116 174.108 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.75 -14.96 53.03 Favored Glycine 0 N--CA 1.442 -0.929 0 C-N-CA 120.279 -0.962 . . . . 0.0 113.03 177.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -101.2 111.85 24.18 Favored 'General case' 0 CA--C 1.5 -0.978 0 CA-C-N 117.229 0.514 . . . . 0.0 111.306 178.581 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 76.1 m -89.41 130.76 35.71 Favored 'General case' 0 C--N 1.295 -1.771 0 CA-C-O 122.112 0.958 . . . . 0.0 110.731 177.314 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -142.38 161.9 36.85 Favored 'General case' 0 C--N 1.274 -2.716 0 CA-C-N 113.908 -1.497 . . . . 0.0 107.239 -175.496 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 49.3 m -121.55 134.48 55.03 Favored 'General case' 0 C--N 1.291 -1.966 0 C-N-CA 118.836 -1.146 . . . . 0.0 111.465 -179.687 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.0 mt -109.84 132.21 58.7 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 CA-C-N 114.768 -1.105 . . . . 0.0 108.286 -176.594 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 59.9 m -121.07 143.04 49.28 Favored 'General case' 0 C--N 1.296 -1.738 0 CA-C-O 121.177 0.513 . . . . 0.0 110.573 -176.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.6 m -157.19 137.49 12.83 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 175.36 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.9 ttm180 . . . . . 0 CA--C 1.543 0.696 0 C-N-CA 124.319 1.048 . . . . 0.0 110.296 176.405 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.339 0 N-CA-C 113.191 0.036 . . . . 0.0 113.191 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -114.5 132.12 56.4 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-O 121.171 0.51 . . . . 0.0 110.77 -176.165 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 73.1 m -99.17 136.25 39.39 Favored 'General case' 0 C--N 1.295 -1.78 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.884 179.28 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 19.8 ptp180 -136.62 138.83 41.59 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.498 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 58.8 m -101.86 132.65 47.51 Favored 'General case' 0 C--N 1.278 -2.521 0 C-N-CA 118.909 -1.116 . . . . 0.0 109.494 176.712 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.1 mt -123.79 140.02 53.4 Favored 'General case' 0 C--N 1.278 -2.517 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.006 -174.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 85.9 m -122.39 114.72 21.13 Favored 'General case' 0 C--N 1.28 -2.425 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 177.664 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 48.6 ttp180 -101.89 101.59 12.05 Favored 'General case' 0 C--N 1.293 -1.862 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.116 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 46.7 ttp180 49.34 51.43 16.34 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 113.762 -1.563 . . . . 0.0 111.484 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.07 -32.39 7.58 Favored Glycine 0 N--CA 1.436 -1.313 0 CA-C-N 115.424 -0.807 . . . . 0.0 113.709 178.372 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -86.33 110.55 19.75 Favored 'General case' 0 C--O 1.244 0.764 0 CA-C-N 117.67 0.735 . . . . 0.0 110.402 -176.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 69.0 m -100.13 142.93 30.94 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-O 121.426 0.632 . . . . 0.0 112.464 -176.465 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -156.41 151.16 25.94 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-N 115.016 -0.993 . . . . 0.0 108.667 174.377 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.498 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 59.1 m -104.14 126.12 51.0 Favored 'General case' 0 N--CA 1.426 -1.674 0 C-N-CA 119.601 -0.84 . . . . 0.0 110.792 179.186 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.9 mt -116.7 133.82 62.16 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.344 0 CA-C-N 114.294 -1.321 . . . . 0.0 109.148 -175.692 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 55.7 m -112.01 136.52 51.26 Favored 'General case' 0 C--N 1.293 -1.869 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.412 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 37.9 m -151.91 136.05 16.61 Favored 'General case' 0 C--N 1.295 -1.801 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 -178.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 18' ' ' ARG . 20.5 ttt180 . . . . . 0 CA--C 1.556 1.173 0 C-N-CA 125.23 1.412 . . . . 0.0 111.925 178.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.682 0 CA-C-O 120.34 -0.145 . . . . 0.0 113.367 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -107.13 143.13 35.74 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 -179.468 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.8 m -125.14 128.32 48.22 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 120.097 -0.641 . . . . 0.0 111.135 -176.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 46.8 ttp180 -107.05 145.63 32.14 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 106.124 -1.806 . . . . 0.0 106.124 174.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.461 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 40.2 m -112.95 141.89 46.26 Favored 'General case' 0 N--CA 1.411 -2.404 0 C-N-CA 118.634 -1.226 . . . . 0.0 111.799 -177.124 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.4 tp -113.99 117.58 31.74 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-N 114.512 -1.222 . . . . 0.0 109.947 -179.321 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.443 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 72.7 m -95.33 122.67 38.28 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.838 178.202 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.4 mtp180 -129.26 110.06 11.65 Favored 'General case' 0 C--O 1.251 1.159 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 60.74 31.26 20.09 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-O 122.468 1.128 . . . . 0.0 110.157 177.426 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.33 -24.6 31.56 Favored Glycine 0 N--CA 1.435 -1.425 0 CA-C-N 115.301 -0.863 . . . . 0.0 112.745 178.63 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -90.2 114.95 27.03 Favored 'General case' 0 CA--C 1.505 -0.757 0 CA-C-O 121.106 0.479 . . . . 0.0 110.008 -178.353 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.443 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 31.0 m -100.37 129.58 46.36 Favored 'General case' 0 C--N 1.299 -1.599 0 CA-C-O 121.52 0.676 . . . . 0.0 110.709 -178.336 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -122.85 138.54 54.62 Favored 'General case' 0 C--N 1.286 -2.159 0 CA-C-N 114.409 -1.269 . . . . 0.0 108.071 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.461 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 46.5 m -105.89 134.76 48.49 Favored 'General case' 0 C--N 1.294 -1.842 0 C-N-CA 119.339 -0.944 . . . . 0.0 112.91 -176.532 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.5 mp -106.74 125.78 62.67 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 CA-C-N 114.593 -1.185 . . . . 0.0 108.132 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 59.9 m -110.02 141.54 42.69 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-O 121.385 0.612 . . . . 0.0 111.693 -178.278 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.4 m -154.56 136.72 14.77 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 177.016 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 41.3 ttp180 . . . . . 0 CA--C 1.563 1.472 0 C-N-CA 124.594 1.158 . . . . 0.0 111.485 -179.315 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.788 0 N-CA-C 114.308 0.483 . . . . 0.0 114.308 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -105.96 125.72 51.33 Favored 'General case' 0 C--O 1.246 0.887 0 CA-C-N 117.559 0.679 . . . . 0.0 111.122 -175.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.6 m -108.98 140.57 42.31 Favored 'General case' 0 C--N 1.29 -2.014 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.467 178.565 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.9 ptp85 -147.53 144.81 28.79 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 177.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.46 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 78.2 m -108.76 143.35 38.02 Favored 'General case' 0 C--N 1.289 -2.055 0 C-N-CA 119.472 -0.891 . . . . 0.0 109.364 175.769 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 51.7 tp -134.05 143.24 47.93 Favored 'General case' 0 C--N 1.285 -2.228 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.652 -173.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 75.2 m -124.3 128.28 48.9 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 176.167 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 83.3 mtm180 -134.52 112.47 10.92 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.913 178.28 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.0 tpp180 59.43 35.32 22.93 Favored 'General case' 0 C--N 1.314 -0.971 0 C-N-CA 124.873 1.269 . . . . 0.0 111.755 173.434 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.49 -6.13 67.85 Favored Glycine 0 C--O 1.242 0.656 0 C-N-CA 120.808 -0.711 . . . . 0.0 113.071 177.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -103.36 107.32 18.1 Favored 'General case' 0 C--N 1.308 -1.208 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 178.507 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 78.7 m -98.53 132.78 43.68 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-O 121.577 0.704 . . . . 0.0 109.984 177.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -140.69 141.96 34.93 Favored 'General case' 0 C--N 1.271 -2.826 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 -176.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.46 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 74.0 m -104.32 135.38 45.88 Favored 'General case' 0 C--N 1.29 -1.981 0 C-N-CA 120.07 -0.652 . . . . 0.0 109.745 175.638 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.9 mp -121.64 121.29 64.09 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.151 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.124 -175.408 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.7 m -110.87 136.97 49.1 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 172.159 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.4 m -153.18 125.13 7.88 Favored 'General case' 0 C--N 1.281 -2.385 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 . . . . . 0 C--N 1.307 -1.257 0 C-N-CA 126.359 1.864 . . . . 0.0 112.547 179.181 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.774 0 N-CA-C 113.714 0.245 . . . . 0.0 113.714 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -120.93 142.5 49.67 Favored 'General case' 0 C--N 1.311 -1.089 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 179.457 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 46.3 m -112.22 116.64 30.76 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-O 121.868 0.842 . . . . 0.0 110.581 179.479 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -114.74 142.46 46.49 Favored 'General case' 0 C--N 1.28 -2.453 0 CA-C-N 114.132 -1.394 . . . . 0.0 107.489 -177.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.523 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 59.4 m -104.71 143.45 33.08 Favored 'General case' 0 N--CA 1.417 -2.101 0 C-N-CA 118.774 -1.17 . . . . 0.0 109.719 176.751 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 pp -130.93 155.8 46.16 Favored 'General case' 0 C--N 1.289 -2.062 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.726 -177.105 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 74.8 m -131.9 114.1 14.25 Favored 'General case' 0 C--N 1.292 -1.896 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 176.213 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -120.75 114.4 21.58 Favored 'General case' 0 N--CA 1.423 -1.805 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 -178.625 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 55.21 46.73 23.18 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 125.178 1.391 . . . . 0.0 110.676 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.6 -22.88 18.62 Favored Glycine 0 N--CA 1.439 -1.116 0 CA-C-N 115.657 -0.701 . . . . 0.0 113.07 177.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -89.97 112.83 24.36 Favored 'General case' 0 C--O 1.247 0.965 0 CA-C-N 116.987 0.393 . . . . 0.0 110.267 -176.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 63.8 m -99.2 134.75 41.6 Favored 'General case' 0 C--N 1.294 -1.832 0 CA-C-O 121.713 0.768 . . . . 0.0 110.323 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.9 tpt180 -146.27 144.55 29.92 Favored 'General case' 0 C--N 1.277 -2.557 0 CA-C-N 114.34 -1.3 . . . . 0.0 107.857 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.523 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 69.8 m -99.29 141.7 31.72 Favored 'General case' 0 N--CA 1.415 -2.216 0 C-N-CA 119.958 -0.697 . . . . 0.0 109.398 175.801 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.5 tp -131.22 130.7 63.48 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.994 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.166 -178.161 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 60.4 m -99.42 129.57 45.62 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 174.55 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.2 m -149.09 134.22 18.21 Favored 'General case' 0 C--N 1.282 -2.344 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -178.596 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.2 ttt180 . . . . . 0 CA--C 1.558 1.285 0 C-N-CA 124.95 1.3 . . . . 0.0 111.74 177.469 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.796 0 N-CA-C 113.828 0.291 . . . . 0.0 113.828 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -100.46 131.07 46.57 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 -178.168 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 53.0 m -108.0 129.52 55.12 Favored 'General case' 0 C--N 1.284 -2.24 0 CA-C-O 121.216 0.532 . . . . 0.0 110.935 -177.466 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -129.41 139.14 51.75 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 -179.53 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 47.2 m -97.78 141.21 31.06 Favored 'General case' 0 N--CA 1.421 -1.912 0 CA-C-O 121.796 0.808 . . . . 0.0 111.983 -178.655 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 39.4 tp -105.79 119.18 38.49 Favored 'General case' 0 C--N 1.292 -1.923 0 N-CA-C 106.857 -1.534 . . . . 0.0 106.857 179.308 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 73.9 m -114.73 136.4 53.1 Favored 'General case' 0 C--N 1.289 -2.032 0 CA-C-O 120.818 0.342 . . . . 0.0 111.046 -178.497 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -143.57 111.32 6.01 Favored 'General case' 0 N--CA 1.433 -1.292 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 44.7 ttp180 56.07 44.42 25.38 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-O 122.386 1.089 . . . . 0.0 110.398 179.123 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.12 -17.44 37.44 Favored Glycine 0 N--CA 1.439 -1.142 0 CA-C-N 115.067 -0.97 . . . . 0.0 113.424 177.45 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -90.12 112.03 23.36 Favored 'General case' 0 CA--C 1.504 -0.826 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 -178.288 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 78.6 m -105.19 135.46 46.5 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 121.609 0.718 . . . . 0.0 111.471 -178.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -124.94 121.4 34.36 Favored 'General case' 0 C--N 1.287 -2.142 0 N-CA-C 106.547 -1.649 . . . . 0.0 106.547 179.075 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 60.5 m -95.06 132.56 39.82 Favored 'General case' 0 C--N 1.298 -1.632 0 C-N-CA 119.298 -0.961 . . . . 0.0 112.455 -177.765 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.2 mm -124.64 128.13 73.26 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 CA-C-N 114.523 -1.217 . . . . 0.0 109.721 -174.332 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 73.2 m -97.49 134.19 41.06 Favored 'General case' 0 N--CA 1.427 -1.625 0 CA-C-O 121.747 0.784 . . . . 0.0 111.189 177.837 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.3 p -133.48 108.61 8.75 Favored 'General case' 0 C--N 1.29 -1.998 0 CA-C-N 114.147 -1.388 . . . . 0.0 110.35 -176.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 47.0 ttp180 . . . . . 0 CA--C 1.545 0.77 0 C-N-CA 124.473 1.109 . . . . 0.0 110.904 176.373 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.718 0 CA-C-O 120.773 0.096 . . . . 0.0 113.188 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -122.97 134.99 54.31 Favored 'General case' 0 N--CA 1.439 -0.987 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 83.0 m -103.99 141.82 35.52 Favored 'General case' 0 C--N 1.286 -2.166 0 CA-C-O 121.089 0.471 . . . . 0.0 111.626 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -132.86 131.34 40.86 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 177.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.5 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 64.5 m -100.83 131.56 46.65 Favored 'General case' 0 C--N 1.278 -2.508 0 C-N-CA 118.626 -1.229 . . . . 0.0 109.453 174.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 91.4 mt -125.2 148.29 48.69 Favored 'General case' 0 C--N 1.272 -2.766 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.784 -175.412 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 76.4 m -127.23 122.3 33.6 Favored 'General case' 0 C--N 1.293 -1.887 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 178.013 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.1 mtp180 -120.5 101.26 7.64 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 116.185 -0.462 . . . . 0.0 109.984 -178.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.1 tpp180 66.81 22.46 10.25 Favored 'General case' 0 CA--C 1.554 1.128 0 CA-C-O 122.259 1.028 . . . . 0.0 111.233 174.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.61 -15.35 26.94 Favored Glycine 0 N--CA 1.437 -1.249 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.793 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -86.28 103.02 14.49 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 177.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 77.3 m -96.4 134.49 39.49 Favored 'General case' 0 C--N 1.291 -1.946 0 CA-C-O 121.461 0.648 . . . . 0.0 109.914 177.094 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -149.5 142.99 25.36 Favored 'General case' 0 C--N 1.281 -2.401 0 CA-C-N 114.56 -1.2 . . . . 0.0 108.498 -177.124 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.5 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 58.9 m -105.95 128.37 53.76 Favored 'General case' 0 C--N 1.301 -1.513 0 C-N-CA 119.39 -0.924 . . . . 0.0 110.271 177.721 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.0 mm -114.67 137.16 48.98 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.43 0 CA-C-N 114.754 -1.112 . . . . 0.0 109.391 -175.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 55.8 m -118.88 131.45 56.06 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-O 121.358 0.599 . . . . 0.0 110.413 178.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.8 t -150.91 137.5 18.77 Favored 'General case' 0 C--N 1.29 -1.981 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.631 -177.417 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 50.1 ttp180 . . . . . 0 CA--C 1.55 0.964 0 C-N-CA 124.882 1.273 . . . . 0.0 109.854 -176.712 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 58.6 m . . . . . 0 N--CA 1.435 -1.216 0 CA-C-O 121.475 0.655 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -119.75 140.69 50.32 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 107.018 -1.475 . . . . 0.0 107.018 177.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 58.7 m -111.19 151.5 28.14 Favored 'General case' 0 C--N 1.286 -2.16 0 C-N-CA 119.563 -0.855 . . . . 0.0 111.977 -173.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -139.06 154.51 48.21 Favored 'General case' 0 N--CA 1.434 -1.247 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.963 -178.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 76.0 m -121.29 113.38 19.85 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 174.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.431 ' O ' ' HB3' ' A' ' 11' ' ' ASP . 1.3 tmm_? -108.68 98.69 8.16 Favored 'General case' 0 C--N 1.284 -2.249 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.231 -176.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 61.43 34.94 17.94 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.397 1.079 . . . . 0.0 110.528 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.5 -16.3 60.77 Favored Glycine 0 C--N 1.311 -0.829 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.958 -179.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.431 ' HB3' ' O ' ' A' ' 8' ' ' ARG . 23.2 t70 -85.02 96.72 9.49 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 61.5 m -91.1 134.69 34.32 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-O 121.712 0.768 . . . . 0.0 111.035 -179.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -158.56 167.13 30.41 Favored 'General case' 0 C--N 1.292 -1.93 0 CA-C-N 114.383 -1.28 . . . . 0.0 108.603 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 63.2 m -117.75 147.9 42.55 Favored 'General case' 0 C--N 1.298 -1.657 0 C-N-CA 119.984 -0.686 . . . . 0.0 111.437 -179.284 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.4 tt -121.71 133.97 66.49 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.222 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 177.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.7 m . . . . . 0 C--N 1.303 -1.435 0 CA-C-O 121.277 0.56 . . . . 0.0 111.361 -177.149 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 45.9 m . . . . . 0 N--CA 1.438 -1.035 0 CA-C-O 121.16 0.505 . . . . 0.0 110.761 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.2 ppt_? -126.22 143.26 51.21 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 176.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 38.8 m -102.12 141.1 35.5 Favored 'General case' 0 C--N 1.289 -2.039 0 C-N-CA 119.311 -0.956 . . . . 0.0 112.13 -173.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.43 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 50.3 tp -129.64 140.06 51.26 Favored 'General case' 0 C--N 1.297 -1.716 0 CA-C-N 114.826 -1.079 . . . . 0.0 109.952 -175.505 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.466 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 66.9 m -104.83 111.3 23.99 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 172.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -118.62 108.08 14.5 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-N 115.171 -0.922 . . . . 0.0 108.578 -174.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 55.18 44.13 28.24 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-O 122.796 1.284 . . . . 0.0 110.478 -179.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.06 -27.24 15.47 Favored Glycine 0 N--CA 1.43 -1.735 0 CA-C-N 115.09 -0.959 . . . . 0.0 113.263 178.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -89.51 113.34 24.71 Favored 'General case' 0 CA--C 1.493 -1.212 0 C-N-CA 120.044 -0.662 . . . . 0.0 110.804 -175.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.466 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 39.0 m -89.6 120.77 31.19 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 175.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.2 tpp180 -134.46 148.78 50.66 Favored 'General case' 0 C--N 1.267 -3.006 0 N-CA-C 106.679 -1.6 . . . . 0.0 106.679 -174.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 56.9 m -105.0 128.84 53.47 Favored 'General case' 0 C--N 1.289 -2.05 0 C-N-CA 118.999 -1.08 . . . . 0.0 111.368 179.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.4 mm -103.6 120.2 53.3 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.004 0 CA-C-N 114.299 -1.319 . . . . 0.0 108.863 -175.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 75.4 m . . . . . 0 C--N 1.298 -1.669 0 CA-C-O 121.055 0.455 . . . . 0.0 110.201 178.069 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.0 m . . . . . 0 CA--C 1.488 -1.42 0 CA-C-O 121.45 0.643 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 41.4 ptt85 -134.28 129.96 36.36 Favored 'General case' 0 C--N 1.285 -2.209 0 CA-C-N 114.643 -1.162 . . . . 0.0 108.471 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.47 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 72.0 m -98.12 154.0 18.05 Favored 'General case' 0 C--N 1.283 -2.287 0 C-N-CA 119.973 -0.691 . . . . 0.0 110.127 177.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.2 tp -146.19 128.25 15.58 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-O 120.965 0.412 . . . . 0.0 110.998 -178.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 71.1 m -94.29 109.49 21.3 Favored 'General case' 0 N--CA 1.429 -1.485 0 CA-C-O 121.656 0.741 . . . . 0.0 109.128 171.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 20.3 tpt180 -119.21 120.79 38.08 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 113.918 -1.492 . . . . 0.0 108.434 -174.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 64.2 ttt180 61.44 29.72 18.58 Favored 'General case' 0 CA--C 1.562 1.432 0 CA-C-O 122.535 1.16 . . . . 0.0 110.383 178.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.44 -11.0 57.61 Favored Glycine 0 C--O 1.244 0.751 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.421 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -100.64 120.35 39.92 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 -177.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 35.8 m -96.33 132.0 42.28 Favored 'General case' 0 C--N 1.291 -1.944 0 CA-C-O 121.372 0.606 . . . . 0.0 111.119 -175.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -134.3 158.34 44.02 Favored 'General case' 0 C--N 1.294 -1.826 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 -178.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.47 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 79.7 m -120.15 143.52 48.16 Favored 'General case' 0 C--N 1.287 -2.129 0 C-N-CA 119.574 -0.85 . . . . 0.0 110.037 176.053 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.7 mp -124.47 119.67 57.02 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.77 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.096 -178.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.0 m . . . . . 0 C--N 1.292 -1.899 0 N-CA-C 109.063 -0.718 . . . . 0.0 109.063 174.205 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.45 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 61.7 m . . . . . 0 N--CA 1.433 -1.319 0 CA-C-O 122.223 1.011 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -117.2 139.15 51.14 Favored 'General case' 0 C--N 1.284 -2.247 0 CA-C-N 114.179 -1.373 . . . . 0.0 108.071 -176.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.527 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 16.8 m -94.57 144.36 25.65 Favored 'General case' 0 CA--C 1.481 -1.687 0 C-N-CA 118.623 -1.231 . . . . 0.0 113.245 179.141 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -124.55 130.39 52.36 Favored 'General case' 0 C--N 1.28 -2.422 0 CA-C-N 113.187 -1.824 . . . . 0.0 108.039 178.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.444 ' HA ' ' O ' ' A' ' 11' ' ' ASP . 81.2 m -112.96 135.26 53.92 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-O 121.007 0.432 . . . . 0.0 110.644 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -131.03 99.67 4.97 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 108.779 -0.822 . . . . 0.0 108.779 176.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 52.36 55.15 9.55 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 124.351 1.06 . . . . 0.0 110.323 178.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.29 -32.07 6.23 Favored Glycine 0 N--CA 1.442 -0.945 0 CA-C-N 115.497 -0.774 . . . . 0.0 112.699 179.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.444 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 16.7 t70 -75.37 97.62 3.66 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-O 121.129 0.49 . . . . 0.0 110.787 -177.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.2 m -102.45 127.18 49.59 Favored 'General case' 0 C--N 1.287 -2.112 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.56 177.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -145.06 149.64 35.43 Favored 'General case' 0 C--N 1.27 -2.863 0 CA-C-N 114.416 -1.265 . . . . 0.0 108.101 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.527 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 4.1 m -95.13 140.24 30.34 Favored 'General case' 0 CA--C 1.478 -1.797 0 CA-C-O 122.392 1.091 . . . . 0.0 113.001 178.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.5 mt -119.98 130.57 74.08 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.646 0 CA-C-N 112.849 -1.978 . . . . 0.0 106.629 176.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.45 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 15.4 m . . . . . 0 C--N 1.287 -2.113 0 C-N-CA 119.593 -0.843 . . . . 0.0 110.187 -179.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 76.7 m . . . . . 0 N--CA 1.432 -1.368 0 CA-C-O 121.223 0.535 . . . . 0.0 110.548 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.4 ttp180 -139.15 137.4 36.06 Favored 'General case' 0 C--N 1.29 -1.981 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 62.5 m -111.17 146.07 37.54 Favored 'General case' 0 C--N 1.298 -1.655 0 C-N-CA 119.151 -1.02 . . . . 0.0 112.678 -175.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -120.54 131.08 54.51 Favored 'General case' 0 C--N 1.291 -1.958 0 N-CA-C 106.196 -1.779 . . . . 0.0 106.196 178.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 82.0 m -121.64 134.68 54.99 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-O 120.577 0.227 . . . . 0.0 111.07 -177.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 75.8 mtm180 -136.53 108.31 7.06 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 61.97 34.27 16.84 Favored 'General case' 0 CA--C 1.563 1.464 0 CA-C-O 122.355 1.074 . . . . 0.0 110.032 175.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.38 -18.21 55.19 Favored Glycine 0 C--N 1.315 -0.62 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.155 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -80.09 104.07 10.4 Favored 'General case' 0 CA--C 1.494 -1.174 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 85.9 m -101.23 134.92 43.54 Favored 'General case' 0 N--CA 1.418 -2.054 0 CA-C-O 122.023 0.916 . . . . 0.0 109.925 177.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.2 ttm180 -132.41 132.18 42.55 Favored 'General case' 0 C--N 1.265 -3.087 0 N-CA-C 106.061 -1.829 . . . . 0.0 106.061 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 57.9 m -110.53 134.89 51.96 Favored 'General case' 0 C--N 1.279 -2.468 0 C-N-CA 119.348 -0.941 . . . . 0.0 111.689 -174.468 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.2 tt -107.26 115.63 49.06 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.325 0 CA-C-N 114.397 -1.274 . . . . 0.0 109.909 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 62.3 m . . . . . 0 C--N 1.301 -1.513 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 176.882 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 62.4 m . . . . . 0 N--CA 1.443 -0.782 0 CA-C-O 121.324 0.583 . . . . 0.0 112.561 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 37.8 mmt180 -130.2 148.31 52.02 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 105.898 -1.89 . . . . 0.0 105.898 170.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 80.3 m -109.41 151.47 26.63 Favored 'General case' 0 C--N 1.296 -1.736 0 C-N-CA 119.198 -1.001 . . . . 0.0 112.759 -177.364 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 35.1 tp -135.6 129.02 32.26 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 124.31 1.044 . . . . 0.0 110.242 -174.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 72.7 m -105.0 118.0 35.42 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-O 121.003 0.43 . . . . 0.0 110.846 177.502 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.512 ' HA ' ' NE ' ' A' ' 8' ' ' ARG . 3.9 mmp_? -114.78 101.16 8.8 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.064 178.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 54.72 43.69 29.71 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-O 122.677 1.227 . . . . 0.0 110.705 177.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.14 -27.12 19.81 Favored Glycine 0 N--CA 1.443 -0.837 0 CA-C-N 114.763 -1.108 . . . . 0.0 113.136 178.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -82.99 102.47 11.76 Favored 'General case' 0 CA--C 1.503 -0.851 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 -179.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 59.6 m -92.09 122.13 34.3 Favored 'General case' 0 N--CA 1.425 -1.721 0 CA-C-O 122.192 0.996 . . . . 0.0 109.981 179.694 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 55.2 mtp85 -122.82 165.23 16.95 Favored 'General case' 0 C--N 1.265 -3.08 0 CA-C-N 113.111 -1.859 . . . . 0.0 106.598 -174.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 75.3 m -128.58 136.35 50.61 Favored 'General case' 0 N--CA 1.411 -2.403 0 C-N-CA 119.519 -0.872 . . . . 0.0 110.744 177.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.3 mt -99.94 114.84 39.59 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.19 0 CA-C-N 114.455 -1.248 . . . . 0.0 107.804 -178.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.0 m . . . . . 0 C--N 1.289 -2.055 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 177.812 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.503 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 35.1 m . . . . . 0 CA--C 1.496 -1.098 0 CA-C-O 122.509 1.147 . . . . 0.0 113.802 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -125.63 155.65 40.45 Favored 'General case' 0 C--N 1.28 -2.45 0 N-CA-C 104.582 -2.377 . . . . 0.0 104.582 178.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 10.9 m -114.53 135.21 54.38 Favored 'General case' 0 N--CA 1.412 -2.367 0 C-N-CA 117.931 -1.508 . . . . 0.0 111.946 -174.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.9 mp -120.94 149.67 42.28 Favored 'General case' 0 C--N 1.298 -1.657 0 CA-C-N 114.576 -1.193 . . . . 0.0 109.465 -178.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 55.8 m -111.7 129.41 56.11 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-O 121.477 0.656 . . . . 0.0 111.421 -178.142 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 8' ' ' ARG . 29.2 mmt180 -124.69 101.23 7.01 Favored 'General case' 0 N--CA 1.434 -1.272 0 CA-C-N 114.781 -1.1 . . . . 0.0 109.93 178.158 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 60.97 40.6 15.16 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 122.511 1.148 . . . . 0.0 110.23 176.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.97 -17.48 59.21 Favored Glycine 0 N--CA 1.436 -1.317 0 CA-C-N 114.676 -1.147 . . . . 0.0 111.977 179.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -87.6 96.05 10.27 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -178.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 59.5 m -87.39 119.69 27.92 Favored 'General case' 0 CA--C 1.471 -2.086 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 176.248 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.9 ttm-85 -135.27 143.41 46.25 Favored 'General case' 0 C--N 1.257 -3.421 0 CA-C-N 114.303 -1.317 . . . . 0.0 108.273 -173.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 34.9 m -97.02 136.92 36.89 Favored 'General case' 0 C--N 1.285 -2.23 0 C-N-CA 119.116 -1.033 . . . . 0.0 111.687 -175.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.7 tp -133.0 145.48 34.1 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.064 0 CA-C-N 114.711 -1.131 . . . . 0.0 109.288 -179.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.503 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 53.7 m . . . . . 0 CA--C 1.48 -1.742 0 CA-C-O 122.357 1.075 . . . . 0.0 110.391 176.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 82.2 m . . . . . 0 N--CA 1.44 -0.966 0 CA-C-O 121.663 0.744 . . . . 0.0 110.48 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -111.63 135.1 52.68 Favored 'General case' 0 C--N 1.283 -2.313 0 N-CA-C 106.811 -1.552 . . . . 0.0 106.811 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 58.7 m -111.62 148.55 33.1 Favored 'General case' 0 C--N 1.286 -2.183 0 C-N-CA 119.095 -1.042 . . . . 0.0 112.348 -174.289 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.7 mt -133.71 159.69 39.8 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-N 114.937 -1.028 . . . . 0.0 108.483 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 62.2 m -129.3 132.88 47.24 Favored 'General case' 0 C--N 1.293 -1.873 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 175.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -145.88 142.18 28.53 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 107.505 -1.294 . . . . 0.0 107.505 178.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.421 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 37.7 ttp180 66.94 10.54 7.73 Favored 'General case' 0 N--CA 1.493 1.706 0 CA-C-O 121.584 0.707 . . . . 0.0 111.162 177.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.0 12.24 83.59 Favored Glycine 0 C--N 1.315 -0.603 0 N-CA-C 109.977 -1.249 . . . . 0.0 109.977 -173.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -113.19 109.57 18.99 Favored 'General case' 0 C--N 1.307 -1.25 0 C-N-CA 125.004 1.322 . . . . 0.0 107.83 -177.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 72.3 m -84.92 138.41 32.53 Favored 'General case' 0 C--N 1.297 -1.7 0 C-N-CA 119.808 -0.757 . . . . 0.0 110.59 179.453 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -142.08 138.96 32.1 Favored 'General case' 0 C--N 1.283 -2.313 0 CA-C-N 115.137 -0.938 . . . . 0.0 108.714 -171.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 79.5 m -109.39 140.35 43.21 Favored 'General case' 0 C--N 1.284 -2.248 0 C-N-CA 119.621 -0.831 . . . . 0.0 111.337 -179.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.6 mm -110.84 125.28 68.14 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.139 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 62.4 m . . . . . 0 C--N 1.293 -1.874 0 CA-C-O 121.255 0.55 . . . . 0.0 109.944 179.774 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 47.7 m . . . . . 0 N--CA 1.431 -1.38 0 CA-C-O 121.19 0.519 . . . . 0.0 111.612 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 19.1 ttp85 -148.26 146.54 28.67 Favored 'General case' 0 C--N 1.308 -1.2 0 N-CA-C 107.075 -1.454 . . . . 0.0 107.075 179.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.47 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 57.7 m -104.51 146.05 29.42 Favored 'General case' 0 C--N 1.292 -1.912 0 C-N-CA 119.95 -0.7 . . . . 0.0 111.911 -177.153 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 91.2 mt -128.0 130.0 47.64 Favored 'General case' 0 N--CA 1.435 -1.196 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.704 -179.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 86.3 m -108.92 117.38 34.04 Favored 'General case' 0 C--N 1.291 -1.946 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 172.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 76.9 mtm180 -114.71 97.25 6.16 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.534 -174.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 54.6 42.47 31.26 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-O 122.245 1.021 . . . . 0.0 110.176 177.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.84 -27.8 18.82 Favored Glycine 0 N--CA 1.437 -1.294 0 CA-C-N 115.105 -0.952 . . . . 0.0 112.857 179.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -84.04 104.05 13.78 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 120.936 0.398 . . . . 0.0 110.802 -178.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 62.8 m -97.22 134.94 39.86 Favored 'General case' 0 C--N 1.297 -1.701 0 CA-C-O 121.779 0.8 . . . . 0.0 111.126 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -149.0 136.93 20.66 Favored 'General case' 0 C--N 1.28 -2.414 0 CA-C-N 114.148 -1.387 . . . . 0.0 108.294 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.47 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 63.7 m -97.05 136.25 37.87 Favored 'General case' 0 N--CA 1.426 -1.638 0 C-N-CA 119.633 -0.827 . . . . 0.0 109.963 177.042 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.7 tp -123.0 137.71 55.53 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.099 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.281 -174.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 61.8 m . . . . . 0 C--N 1.29 -1.997 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 176.657 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 84.4 m . . . . . 0 N--CA 1.442 -0.872 0 CA-C-O 121.18 0.514 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.6 ptt180 -130.62 136.03 48.46 Favored 'General case' 0 C--N 1.286 -2.176 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 178.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 57.8 m -113.06 149.71 33.05 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 -171.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -127.39 129.93 48.45 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 114.92 -1.037 . . . . 0.0 109.996 178.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 90.9 m -116.84 112.75 21.53 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 172.451 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 77.2 mtm180 -118.08 98.05 6.12 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.015 -173.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.6 tpt180 58.34 32.49 22.13 Favored 'General case' 0 CA--C 1.555 1.154 0 CA-C-O 122.178 0.99 . . . . 0.0 110.497 176.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.08 -25.75 12.32 Favored Glycine 0 N--CA 1.444 -0.83 0 CA-C-N 115.259 -0.882 . . . . 0.0 112.311 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -79.99 94.53 5.93 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 120.637 0.256 . . . . 0.0 110.807 -178.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 79.3 m -94.55 131.3 40.43 Favored 'General case' 0 CA--C 1.479 -1.779 0 CA-C-O 121.457 0.646 . . . . 0.0 109.656 175.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.2 ttp180 -155.04 134.94 12.9 Favored 'General case' 0 C--N 1.272 -2.79 0 CA-C-N 114.426 -1.261 . . . . 0.0 109.108 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 82.0 m -101.0 141.36 34.01 Favored 'General case' 0 C--N 1.297 -1.694 0 C-N-CA 120.717 -0.393 . . . . 0.0 111.059 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.5 mm -114.08 119.31 60.87 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.994 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -179.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 70.0 m . . . . . 0 C--N 1.294 -1.811 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 176.918 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 84.3 m . . . . . 0 N--CA 1.441 -0.899 0 CA-C-O 121.547 0.689 . . . . 0.0 112.39 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.403 ' HD2' ' HA ' ' A' ' 4' ' ' ARG . 14.5 mmm180 -131.68 130.28 41.83 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 172.003 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 57.4 m -106.27 144.08 33.49 Favored 'General case' 0 C--N 1.291 -1.969 0 C-N-CA 119.241 -0.984 . . . . 0.0 111.347 -176.195 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 67.7 tp -134.62 128.94 34.12 Favored 'General case' 0 C--N 1.296 -1.745 0 CA-C-N 114.806 -1.088 . . . . 0.0 109.975 -178.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 75.2 m -102.14 112.71 25.49 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 173.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -116.87 103.44 10.3 Favored 'General case' 0 C--N 1.295 -1.797 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.909 -176.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 53.8 ttt180 65.67 21.95 11.62 Favored 'General case' 0 CA--C 1.558 1.276 0 CA-C-O 121.968 0.89 . . . . 0.0 111.394 174.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.87 -15.88 33.75 Favored Glycine 0 C--N 1.304 -1.211 0 N-CA-C 111.364 -0.695 . . . . 0.0 111.364 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -88.62 99.3 12.22 Favored 'General case' 0 C--N 1.312 -1.048 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 178.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 78.9 m -87.96 129.55 35.21 Favored 'General case' 0 C--N 1.294 -1.827 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 175.079 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 -147.81 148.57 31.05 Favored 'General case' 0 C--N 1.269 -2.914 0 CA-C-N 114.509 -1.223 . . . . 0.0 107.808 -174.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 61.9 m -112.44 135.67 52.86 Favored 'General case' 0 N--CA 1.404 -2.733 0 C-N-CA 119.314 -0.954 . . . . 0.0 110.85 177.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.4 mm -99.04 111.22 28.06 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.518 0 N-CA-C 106.402 -1.703 . . . . 0.0 106.402 177.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 80.5 m . . . . . 0 C--N 1.29 -1.987 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.44 -178.434 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 86.2 m . . . . . 0 N--CA 1.437 -1.106 0 CA-C-O 121.042 0.449 . . . . 0.0 110.131 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 46.2 ttt85 -133.92 126.04 29.53 Favored 'General case' 0 C--N 1.287 -2.122 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 173.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 60.7 m -100.19 150.84 22.11 Favored 'General case' 0 C--N 1.301 -1.52 0 C-N-CA 119.558 -0.857 . . . . 0.0 113.009 -174.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 pp -137.49 150.94 47.94 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 114.927 -1.033 . . . . 0.0 110.122 178.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 71.0 m -122.14 124.83 44.79 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-O 121.265 0.555 . . . . 0.0 110.923 177.468 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -125.22 105.11 8.89 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.989 -177.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.404 ' HG2' ' O ' ' A' ' 9' ' ' ARG . 73.7 ttt180 54.19 44.19 29.5 Favored 'General case' 0 CA--C 1.557 1.215 0 CA-C-O 122.367 1.08 . . . . 0.0 111.519 177.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.32 -5.4 83.35 Favored Glycine 0 C--N 1.31 -0.888 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.71 178.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -102.57 103.73 14.08 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 178.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 61.7 m -93.81 132.75 37.91 Favored 'General case' 0 C--N 1.29 -1.983 0 CA-C-O 121.719 0.771 . . . . 0.0 109.727 178.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.4 ttt180 -134.9 143.94 47.23 Favored 'General case' 0 C--N 1.276 -2.621 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 -178.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 68.2 m -110.19 136.69 49.01 Favored 'General case' 0 N--CA 1.409 -2.509 0 C-N-CA 119.461 -0.896 . . . . 0.0 110.514 178.197 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.5 mm -98.92 101.66 12.39 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.389 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.1 m . . . . . 0 C--N 1.296 -1.746 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 177.475 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 76.8 m . . . . . 0 N--CA 1.433 -1.276 0 CA-C-O 121.507 0.67 . . . . 0.0 112.117 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 4' ' ' ARG . 46.5 mtp180 -128.19 120.08 26.53 Favored 'General case' 0 C--N 1.291 -1.947 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 177.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 61.3 m -96.06 151.88 19.05 Favored 'General case' 0 C--N 1.281 -2.4 0 C-N-CA 120.485 -0.486 . . . . 0.0 111.533 -176.38 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 66.2 tp -136.21 140.67 43.7 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.941 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 69.8 m -121.27 119.63 32.78 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 174.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -134.31 131.42 38.34 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 62.23 27.19 16.32 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 124.627 1.171 . . . . 0.0 110.801 177.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.67 15.25 68.57 Favored Glycine 0 N--CA 1.441 -1.03 0 CA-C-N 115.333 -0.849 . . . . 0.0 112.198 179.02 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -121.11 120.97 36.85 Favored 'General case' 0 C--N 1.308 -1.23 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 84.1 m -101.93 137.41 40.26 Favored 'General case' 0 C--N 1.296 -1.746 0 CA-C-O 121.742 0.782 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.5 ptt180 -151.46 149.52 29.35 Favored 'General case' 0 C--N 1.281 -2.392 0 CA-C-N 114.649 -1.159 . . . . 0.0 108.911 -178.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 73.3 m -113.96 142.79 45.7 Favored 'General case' 0 C--N 1.297 -1.692 0 C-N-CA 119.713 -0.795 . . . . 0.0 112.229 -177.643 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.1 mp -121.44 135.68 60.8 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.184 0 N-CA-C 107.132 -1.433 . . . . 0.0 107.132 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.2 m . . . . . 0 C--N 1.303 -1.445 0 CA-C-O 121.417 0.627 . . . . 0.0 111.358 -178.41 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 63.3 m . . . . . 0 N--CA 1.43 -1.431 0 CA-C-O 121.267 0.556 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 22.2 tpp180 -131.06 143.26 50.55 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 105.789 -1.93 . . . . 0.0 105.789 175.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 51.5 m -100.87 144.77 29.41 Favored 'General case' 0 N--CA 1.419 -2.022 0 C-N-CA 118.77 -1.172 . . . . 0.0 111.732 -178.391 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 63.3 tp -134.87 139.94 45.42 Favored 'General case' 0 C--N 1.295 -1.762 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -176.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 43.6 m -112.08 124.85 53.32 Favored 'General case' 0 C--N 1.28 -2.442 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 178.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -108.97 103.23 12.23 Favored 'General case' 0 N--CA 1.421 -1.907 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.692 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.9 tpp180 55.71 40.69 30.84 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 124.256 1.022 . . . . 0.0 112.116 174.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.75 -14.96 53.03 Favored Glycine 0 N--CA 1.442 -0.929 0 C-N-CA 120.279 -0.962 . . . . 0.0 113.03 177.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -101.2 111.85 24.18 Favored 'General case' 0 CA--C 1.5 -0.978 0 CA-C-N 117.229 0.514 . . . . 0.0 111.306 178.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 76.1 m -89.41 130.76 35.71 Favored 'General case' 0 C--N 1.295 -1.771 0 CA-C-O 122.112 0.958 . . . . 0.0 110.731 177.314 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -142.38 161.9 36.85 Favored 'General case' 0 C--N 1.274 -2.716 0 CA-C-N 113.908 -1.497 . . . . 0.0 107.239 -175.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 49.3 m -121.55 134.48 55.03 Favored 'General case' 0 C--N 1.291 -1.966 0 C-N-CA 118.836 -1.146 . . . . 0.0 111.465 -179.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.0 mt -109.84 132.21 58.7 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 CA-C-N 114.768 -1.105 . . . . 0.0 108.286 -176.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 59.9 m . . . . . 0 C--N 1.296 -1.738 0 CA-C-O 121.177 0.513 . . . . 0.0 110.573 -176.887 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 73.1 m . . . . . 0 N--CA 1.436 -1.158 0 CA-C-O 121.07 0.462 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 19.8 ptp180 -136.62 138.83 41.59 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.498 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 58.8 m -101.86 132.65 47.51 Favored 'General case' 0 C--N 1.278 -2.521 0 C-N-CA 118.909 -1.116 . . . . 0.0 109.494 176.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.1 mt -123.79 140.02 53.4 Favored 'General case' 0 C--N 1.278 -2.517 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.006 -174.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 85.9 m -122.39 114.72 21.13 Favored 'General case' 0 C--N 1.28 -2.425 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 177.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 48.6 ttp180 -101.89 101.59 12.05 Favored 'General case' 0 C--N 1.293 -1.862 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 46.7 ttp180 49.34 51.43 16.34 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 113.762 -1.563 . . . . 0.0 111.484 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.07 -32.39 7.58 Favored Glycine 0 N--CA 1.436 -1.313 0 CA-C-N 115.424 -0.807 . . . . 0.0 113.709 178.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -86.33 110.55 19.75 Favored 'General case' 0 C--O 1.244 0.764 0 CA-C-N 117.67 0.735 . . . . 0.0 110.402 -176.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 69.0 m -100.13 142.93 30.94 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-O 121.426 0.632 . . . . 0.0 112.464 -176.465 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -156.41 151.16 25.94 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-N 115.016 -0.993 . . . . 0.0 108.667 174.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.498 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 59.1 m -104.14 126.12 51.0 Favored 'General case' 0 N--CA 1.426 -1.674 0 C-N-CA 119.601 -0.84 . . . . 0.0 110.792 179.186 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.9 mt -116.7 133.82 62.16 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.344 0 CA-C-N 114.294 -1.321 . . . . 0.0 109.148 -175.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 55.7 m . . . . . 0 C--N 1.293 -1.869 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.8 m . . . . . 0 N--CA 1.434 -1.226 0 CA-C-O 120.783 0.325 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 46.8 ttp180 -107.05 145.63 32.14 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 106.124 -1.806 . . . . 0.0 106.124 174.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.461 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 40.2 m -112.95 141.89 46.26 Favored 'General case' 0 N--CA 1.411 -2.404 0 C-N-CA 118.634 -1.226 . . . . 0.0 111.799 -177.124 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.4 tp -113.99 117.58 31.74 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-N 114.512 -1.222 . . . . 0.0 109.947 -179.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.443 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 72.7 m -95.33 122.67 38.28 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.838 178.202 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.4 mtp180 -129.26 110.06 11.65 Favored 'General case' 0 C--O 1.251 1.159 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 60.74 31.26 20.09 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-O 122.468 1.128 . . . . 0.0 110.157 177.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.33 -24.6 31.56 Favored Glycine 0 N--CA 1.435 -1.425 0 CA-C-N 115.301 -0.863 . . . . 0.0 112.745 178.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -90.2 114.95 27.03 Favored 'General case' 0 CA--C 1.505 -0.757 0 CA-C-O 121.106 0.479 . . . . 0.0 110.008 -178.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.443 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 31.0 m -100.37 129.58 46.36 Favored 'General case' 0 C--N 1.299 -1.599 0 CA-C-O 121.52 0.676 . . . . 0.0 110.709 -178.336 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -122.85 138.54 54.62 Favored 'General case' 0 C--N 1.286 -2.159 0 CA-C-N 114.409 -1.269 . . . . 0.0 108.071 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.461 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 46.5 m -105.89 134.76 48.49 Favored 'General case' 0 C--N 1.294 -1.842 0 C-N-CA 119.339 -0.944 . . . . 0.0 112.91 -176.532 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.5 mp -106.74 125.78 62.67 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 CA-C-N 114.593 -1.185 . . . . 0.0 108.132 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 59.9 m . . . . . 0 C--N 1.31 -1.129 0 CA-C-O 121.385 0.612 . . . . 0.0 111.693 -178.278 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.6 m . . . . . 0 N--CA 1.439 -0.986 0 CA-C-O 120.939 0.399 . . . . 0.0 110.467 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.9 ptp85 -147.53 144.81 28.79 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 177.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.46 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 78.2 m -108.76 143.35 38.02 Favored 'General case' 0 C--N 1.289 -2.055 0 C-N-CA 119.472 -0.891 . . . . 0.0 109.364 175.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 51.7 tp -134.05 143.24 47.93 Favored 'General case' 0 C--N 1.285 -2.228 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.652 -173.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 75.2 m -124.3 128.28 48.9 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 176.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 83.3 mtm180 -134.52 112.47 10.92 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.913 178.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.0 tpp180 59.43 35.32 22.93 Favored 'General case' 0 C--N 1.314 -0.971 0 C-N-CA 124.873 1.269 . . . . 0.0 111.755 173.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.49 -6.13 67.85 Favored Glycine 0 C--O 1.242 0.656 0 C-N-CA 120.808 -0.711 . . . . 0.0 113.071 177.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -103.36 107.32 18.1 Favored 'General case' 0 C--N 1.308 -1.208 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 178.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 78.7 m -98.53 132.78 43.68 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-O 121.577 0.704 . . . . 0.0 109.984 177.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -140.69 141.96 34.93 Favored 'General case' 0 C--N 1.271 -2.826 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 -176.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.46 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 74.0 m -104.32 135.38 45.88 Favored 'General case' 0 C--N 1.29 -1.981 0 C-N-CA 120.07 -0.652 . . . . 0.0 109.745 175.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.9 mp -121.64 121.29 64.09 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.151 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.124 -175.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.7 m . . . . . 0 C--N 1.3 -1.577 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 172.159 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 46.3 m . . . . . 0 N--CA 1.436 -1.125 0 CA-C-O 121.868 0.842 . . . . 0.0 110.581 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -114.74 142.46 46.49 Favored 'General case' 0 C--N 1.28 -2.453 0 CA-C-N 114.132 -1.394 . . . . 0.0 107.489 -177.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.523 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 59.4 m -104.71 143.45 33.08 Favored 'General case' 0 N--CA 1.417 -2.101 0 C-N-CA 118.774 -1.17 . . . . 0.0 109.719 176.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 pp -130.93 155.8 46.16 Favored 'General case' 0 C--N 1.289 -2.062 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.726 -177.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 74.8 m -131.9 114.1 14.25 Favored 'General case' 0 C--N 1.292 -1.896 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 176.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -120.75 114.4 21.58 Favored 'General case' 0 N--CA 1.423 -1.805 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 -178.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 55.21 46.73 23.18 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 125.178 1.391 . . . . 0.0 110.676 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.6 -22.88 18.62 Favored Glycine 0 N--CA 1.439 -1.116 0 CA-C-N 115.657 -0.701 . . . . 0.0 113.07 177.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -89.97 112.83 24.36 Favored 'General case' 0 C--O 1.247 0.965 0 CA-C-N 116.987 0.393 . . . . 0.0 110.267 -176.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 63.8 m -99.2 134.75 41.6 Favored 'General case' 0 C--N 1.294 -1.832 0 CA-C-O 121.713 0.768 . . . . 0.0 110.323 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.9 tpt180 -146.27 144.55 29.92 Favored 'General case' 0 C--N 1.277 -2.557 0 CA-C-N 114.34 -1.3 . . . . 0.0 107.857 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.523 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 69.8 m -99.29 141.7 31.72 Favored 'General case' 0 N--CA 1.415 -2.216 0 C-N-CA 119.958 -0.697 . . . . 0.0 109.398 175.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.5 tp -131.22 130.7 63.48 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.994 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.166 -178.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 60.4 m . . . . . 0 C--N 1.296 -1.724 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 174.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 53.0 m . . . . . 0 N--CA 1.432 -1.346 0 CA-C-O 121.216 0.532 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -129.41 139.14 51.75 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 -179.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 47.2 m -97.78 141.21 31.06 Favored 'General case' 0 N--CA 1.421 -1.912 0 CA-C-O 121.796 0.808 . . . . 0.0 111.983 -178.655 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 39.4 tp -105.79 119.18 38.49 Favored 'General case' 0 C--N 1.292 -1.923 0 N-CA-C 106.857 -1.534 . . . . 0.0 106.857 179.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 73.9 m -114.73 136.4 53.1 Favored 'General case' 0 C--N 1.289 -2.032 0 CA-C-O 120.818 0.342 . . . . 0.0 111.046 -178.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -143.57 111.32 6.01 Favored 'General case' 0 N--CA 1.433 -1.292 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 44.7 ttp180 56.07 44.42 25.38 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-O 122.386 1.089 . . . . 0.0 110.398 179.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.12 -17.44 37.44 Favored Glycine 0 N--CA 1.439 -1.142 0 CA-C-N 115.067 -0.97 . . . . 0.0 113.424 177.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -90.12 112.03 23.36 Favored 'General case' 0 CA--C 1.504 -0.826 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 -178.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 78.6 m -105.19 135.46 46.5 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 121.609 0.718 . . . . 0.0 111.471 -178.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -124.94 121.4 34.36 Favored 'General case' 0 C--N 1.287 -2.142 0 N-CA-C 106.547 -1.649 . . . . 0.0 106.547 179.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 60.5 m -95.06 132.56 39.82 Favored 'General case' 0 C--N 1.298 -1.632 0 C-N-CA 119.298 -0.961 . . . . 0.0 112.455 -177.765 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.2 mm -124.64 128.13 73.26 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 CA-C-N 114.523 -1.217 . . . . 0.0 109.721 -174.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 73.2 m . . . . . 0 N--CA 1.427 -1.625 0 CA-C-O 121.747 0.784 . . . . 0.0 111.189 177.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 83.0 m . . . . . 0 N--CA 1.433 -1.308 0 CA-C-O 121.089 0.471 . . . . 0.0 111.626 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -132.86 131.34 40.86 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 177.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.5 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 64.5 m -100.83 131.56 46.65 Favored 'General case' 0 C--N 1.278 -2.508 0 C-N-CA 118.626 -1.229 . . . . 0.0 109.453 174.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 91.4 mt -125.2 148.29 48.69 Favored 'General case' 0 C--N 1.272 -2.766 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.784 -175.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 76.4 m -127.23 122.3 33.6 Favored 'General case' 0 C--N 1.293 -1.887 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 178.013 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.1 mtp180 -120.5 101.26 7.64 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 116.185 -0.462 . . . . 0.0 109.984 -178.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.1 tpp180 66.81 22.46 10.25 Favored 'General case' 0 CA--C 1.554 1.128 0 CA-C-O 122.259 1.028 . . . . 0.0 111.233 174.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.61 -15.35 26.94 Favored Glycine 0 N--CA 1.437 -1.249 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.793 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -86.28 103.02 14.49 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 177.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 77.3 m -96.4 134.49 39.49 Favored 'General case' 0 C--N 1.291 -1.946 0 CA-C-O 121.461 0.648 . . . . 0.0 109.914 177.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -149.5 142.99 25.36 Favored 'General case' 0 C--N 1.281 -2.401 0 CA-C-N 114.56 -1.2 . . . . 0.0 108.498 -177.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.5 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 58.9 m -105.95 128.37 53.76 Favored 'General case' 0 C--N 1.301 -1.513 0 C-N-CA 119.39 -0.924 . . . . 0.0 110.271 177.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.0 mm -114.67 137.16 48.98 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.43 0 CA-C-N 114.754 -1.112 . . . . 0.0 109.391 -175.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 55.8 m . . . . . 0 C--N 1.308 -1.211 0 CA-C-O 121.358 0.599 . . . . 0.0 110.413 178.945 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.756 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -115.15 140.16 49.31 Favored 'General case' 0 C--N 1.311 -1.105 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 58.6 m -115.7 130.41 56.84 Favored 'General case' 0 C--N 1.294 -1.841 0 CA-C-O 121.475 0.655 . . . . 0.0 111.183 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -119.75 140.69 50.32 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 107.018 -1.475 . . . . 0.0 107.018 177.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 58.7 m -111.19 151.5 28.14 Favored 'General case' 0 C--N 1.286 -2.16 0 C-N-CA 119.563 -0.855 . . . . 0.0 111.977 -173.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -139.06 154.51 48.21 Favored 'General case' 0 N--CA 1.434 -1.247 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.963 -178.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 76.0 m -121.29 113.38 19.85 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 174.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.431 ' O ' ' HB3' ' A' ' 11' ' ' ASP . 1.3 tmm_? -108.68 98.69 8.16 Favored 'General case' 0 C--N 1.284 -2.249 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.231 -176.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 61.43 34.94 17.94 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.397 1.079 . . . . 0.0 110.528 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.5 -16.3 60.77 Favored Glycine 0 C--N 1.311 -0.829 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.958 -179.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.431 ' HB3' ' O ' ' A' ' 8' ' ' ARG . 23.2 t70 -85.02 96.72 9.49 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 61.5 m -91.1 134.69 34.32 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-O 121.712 0.768 . . . . 0.0 111.035 -179.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -158.56 167.13 30.41 Favored 'General case' 0 C--N 1.292 -1.93 0 CA-C-N 114.383 -1.28 . . . . 0.0 108.603 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 63.2 m -117.75 147.9 42.55 Favored 'General case' 0 C--N 1.298 -1.657 0 C-N-CA 119.984 -0.686 . . . . 0.0 111.437 -179.284 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.4 tt -121.71 133.97 66.49 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.222 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 177.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.7 m -114.38 140.71 48.44 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-O 121.277 0.56 . . . . 0.0 111.361 -177.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.5 t -158.15 142.1 15.67 Favored 'General case' 0 N--CA 1.427 -1.619 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 178.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.448 ' HG2' ' O ' ' A' ' 18' ' ' ARG . 64.5 ttt180 . . . . . 0 CA--C 1.558 1.258 0 C-N-CA 124.524 1.129 . . . . 0.0 111.525 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.481 0 CA-C-O 120.545 -0.03 . . . . 0.0 113.107 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -88.62 136.13 33.15 Favored 'General case' 0 C--N 1.307 -1.24 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 -179.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 45.9 m -125.88 128.53 47.74 Favored 'General case' 0 C--N 1.293 -1.859 0 CA-C-O 121.16 0.505 . . . . 0.0 110.761 -178.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.2 ppt_? -126.22 143.26 51.21 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 176.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 38.8 m -102.12 141.1 35.5 Favored 'General case' 0 C--N 1.289 -2.039 0 C-N-CA 119.311 -0.956 . . . . 0.0 112.13 -173.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.43 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 50.3 tp -129.64 140.06 51.26 Favored 'General case' 0 C--N 1.297 -1.716 0 CA-C-N 114.826 -1.079 . . . . 0.0 109.952 -175.505 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.466 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 66.9 m -104.83 111.3 23.99 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 172.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -118.62 108.08 14.5 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-N 115.171 -0.922 . . . . 0.0 108.578 -174.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 55.18 44.13 28.24 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-O 122.796 1.284 . . . . 0.0 110.478 -179.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.06 -27.24 15.47 Favored Glycine 0 N--CA 1.43 -1.735 0 CA-C-N 115.09 -0.959 . . . . 0.0 113.263 178.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -89.51 113.34 24.71 Favored 'General case' 0 CA--C 1.493 -1.212 0 C-N-CA 120.044 -0.662 . . . . 0.0 110.804 -175.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.466 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 39.0 m -89.6 120.77 31.19 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 175.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.2 tpp180 -134.46 148.78 50.66 Favored 'General case' 0 C--N 1.267 -3.006 0 N-CA-C 106.679 -1.6 . . . . 0.0 106.679 -174.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 56.9 m -105.0 128.84 53.47 Favored 'General case' 0 C--N 1.289 -2.05 0 C-N-CA 118.999 -1.08 . . . . 0.0 111.368 179.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.4 mm -103.6 120.2 53.3 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.004 0 CA-C-N 114.299 -1.319 . . . . 0.0 108.863 -175.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 75.4 m -101.98 143.04 32.34 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-O 121.055 0.455 . . . . 0.0 110.201 178.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.5 m -151.52 125.53 9.2 Favored 'General case' 0 C--N 1.298 -1.664 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 177.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 55.9 ttp180 . . . . . 0 CA--C 1.56 1.353 0 C-N-CA 125.3 1.44 . . . . 0.0 111.645 -178.63 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.434 0 N-CA-C 113.159 0.024 . . . . 0.0 113.159 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -83.81 123.21 29.65 Favored 'General case' 0 CA--C 1.498 -1.04 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -178.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.0 m -112.65 131.81 55.46 Favored 'General case' 0 C--N 1.275 -2.647 0 CA-C-O 121.45 0.643 . . . . 0.0 110.997 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 41.4 ptt85 -134.28 129.96 36.36 Favored 'General case' 0 C--N 1.285 -2.209 0 CA-C-N 114.643 -1.162 . . . . 0.0 108.471 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.47 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 72.0 m -98.12 154.0 18.05 Favored 'General case' 0 C--N 1.283 -2.287 0 C-N-CA 119.973 -0.691 . . . . 0.0 110.127 177.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.2 tp -146.19 128.25 15.58 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-O 120.965 0.412 . . . . 0.0 110.998 -178.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 71.1 m -94.29 109.49 21.3 Favored 'General case' 0 N--CA 1.429 -1.485 0 CA-C-O 121.656 0.741 . . . . 0.0 109.128 171.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 20.3 tpt180 -119.21 120.79 38.08 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 113.918 -1.492 . . . . 0.0 108.434 -174.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 64.2 ttt180 61.44 29.72 18.58 Favored 'General case' 0 CA--C 1.562 1.432 0 CA-C-O 122.535 1.16 . . . . 0.0 110.383 178.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.44 -11.0 57.61 Favored Glycine 0 C--O 1.244 0.751 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.421 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -100.64 120.35 39.92 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 -177.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 35.8 m -96.33 132.0 42.28 Favored 'General case' 0 C--N 1.291 -1.944 0 CA-C-O 121.372 0.606 . . . . 0.0 111.119 -175.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -134.3 158.34 44.02 Favored 'General case' 0 C--N 1.294 -1.826 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 -178.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.47 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 79.7 m -120.15 143.52 48.16 Favored 'General case' 0 C--N 1.287 -2.129 0 C-N-CA 119.574 -0.85 . . . . 0.0 110.037 176.053 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.7 mp -124.47 119.67 57.02 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.77 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.096 -178.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.0 m -106.45 139.5 40.84 Favored 'General case' 0 C--N 1.292 -1.899 0 N-CA-C 109.063 -0.718 . . . . 0.0 109.063 174.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.3 m -146.39 117.45 7.78 Favored 'General case' 0 C--N 1.28 -2.446 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -179.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.8 ttp180 . . . . . 0 C--N 1.307 -1.272 0 C-N-CA 125.076 1.351 . . . . 0.0 110.904 179.692 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.23 0 CA-C-O 120.231 -0.205 . . . . 0.0 113.278 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -99.91 139.75 35.13 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 -177.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.45 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 61.7 m -103.85 119.55 39.16 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-O 122.223 1.011 . . . . 0.0 111.132 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -117.2 139.15 51.14 Favored 'General case' 0 C--N 1.284 -2.247 0 CA-C-N 114.179 -1.373 . . . . 0.0 108.071 -176.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.527 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 16.8 m -94.57 144.36 25.65 Favored 'General case' 0 CA--C 1.481 -1.687 0 C-N-CA 118.623 -1.231 . . . . 0.0 113.245 179.141 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -124.55 130.39 52.36 Favored 'General case' 0 C--N 1.28 -2.422 0 CA-C-N 113.187 -1.824 . . . . 0.0 108.039 178.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.444 ' HA ' ' O ' ' A' ' 11' ' ' ASP . 81.2 m -112.96 135.26 53.92 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-O 121.007 0.432 . . . . 0.0 110.644 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -131.03 99.67 4.97 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 108.779 -0.822 . . . . 0.0 108.779 176.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 52.36 55.15 9.55 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 124.351 1.06 . . . . 0.0 110.323 178.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.29 -32.07 6.23 Favored Glycine 0 N--CA 1.442 -0.945 0 CA-C-N 115.497 -0.774 . . . . 0.0 112.699 179.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.444 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 16.7 t70 -75.37 97.62 3.66 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-O 121.129 0.49 . . . . 0.0 110.787 -177.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.2 m -102.45 127.18 49.59 Favored 'General case' 0 C--N 1.287 -2.112 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.56 177.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -145.06 149.64 35.43 Favored 'General case' 0 C--N 1.27 -2.863 0 CA-C-N 114.416 -1.265 . . . . 0.0 108.101 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.527 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 4.1 m -95.13 140.24 30.34 Favored 'General case' 0 CA--C 1.478 -1.797 0 CA-C-O 122.392 1.091 . . . . 0.0 113.001 178.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.5 mt -119.98 130.57 74.08 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.646 0 CA-C-N 112.849 -1.978 . . . . 0.0 106.629 176.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.45 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 15.4 m -102.0 137.25 40.53 Favored 'General case' 0 C--N 1.287 -2.113 0 C-N-CA 119.593 -0.843 . . . . 0.0 110.187 -179.129 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.8 m -145.81 135.87 23.69 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 178.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 56.9 ttt180 . . . . . 0 CA--C 1.549 0.925 0 C-N-CA 124.213 1.005 . . . . 0.0 109.927 -179.732 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.363 0 N-CA-C 115.226 0.85 . . . . 0.0 115.226 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -121.21 130.56 53.76 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 118.014 0.907 . . . . 0.0 109.38 177.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 76.7 m -117.8 138.17 52.25 Favored 'General case' 0 C--N 1.29 -1.996 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.548 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.4 ttp180 -139.15 137.4 36.06 Favored 'General case' 0 C--N 1.29 -1.981 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 62.5 m -111.17 146.07 37.54 Favored 'General case' 0 C--N 1.298 -1.655 0 C-N-CA 119.151 -1.02 . . . . 0.0 112.678 -175.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -120.54 131.08 54.51 Favored 'General case' 0 C--N 1.291 -1.958 0 N-CA-C 106.196 -1.779 . . . . 0.0 106.196 178.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 82.0 m -121.64 134.68 54.99 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-O 120.577 0.227 . . . . 0.0 111.07 -177.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 75.8 mtm180 -136.53 108.31 7.06 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 61.97 34.27 16.84 Favored 'General case' 0 CA--C 1.563 1.464 0 CA-C-O 122.355 1.074 . . . . 0.0 110.032 175.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.38 -18.21 55.19 Favored Glycine 0 C--N 1.315 -0.62 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.155 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -80.09 104.07 10.4 Favored 'General case' 0 CA--C 1.494 -1.174 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 85.9 m -101.23 134.92 43.54 Favored 'General case' 0 N--CA 1.418 -2.054 0 CA-C-O 122.023 0.916 . . . . 0.0 109.925 177.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.2 ttm180 -132.41 132.18 42.55 Favored 'General case' 0 C--N 1.265 -3.087 0 N-CA-C 106.061 -1.829 . . . . 0.0 106.061 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 57.9 m -110.53 134.89 51.96 Favored 'General case' 0 C--N 1.279 -2.468 0 C-N-CA 119.348 -0.941 . . . . 0.0 111.689 -174.468 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.2 tt -107.26 115.63 49.06 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.325 0 CA-C-N 114.397 -1.274 . . . . 0.0 109.909 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 62.3 m -107.69 137.61 45.41 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 176.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.9 m -145.14 126.86 15.25 Favored 'General case' 0 C--N 1.281 -2.392 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 176.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.434 ' HD2' ' HA ' ' A' ' 18' ' ' ARG . 22.8 tpt180 . . . . . 0 C--N 1.31 -1.152 0 C-N-CA 126.567 1.947 . . . . 0.0 113.652 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.545 0 CA-C-O 120.528 -0.04 . . . . 0.0 113.195 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -121.94 143.63 49.35 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 62.4 m -125.96 140.89 52.25 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-O 121.324 0.583 . . . . 0.0 112.561 -176.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 37.8 mmt180 -130.2 148.31 52.02 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 105.898 -1.89 . . . . 0.0 105.898 170.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 80.3 m -109.41 151.47 26.63 Favored 'General case' 0 C--N 1.296 -1.736 0 C-N-CA 119.198 -1.001 . . . . 0.0 112.759 -177.364 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 35.1 tp -135.6 129.02 32.26 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 124.31 1.044 . . . . 0.0 110.242 -174.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 72.7 m -105.0 118.0 35.42 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-O 121.003 0.43 . . . . 0.0 110.846 177.502 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.512 ' HA ' ' NE ' ' A' ' 8' ' ' ARG . 3.9 mmp_? -114.78 101.16 8.8 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.064 178.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 54.72 43.69 29.71 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-O 122.677 1.227 . . . . 0.0 110.705 177.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.14 -27.12 19.81 Favored Glycine 0 N--CA 1.443 -0.837 0 CA-C-N 114.763 -1.108 . . . . 0.0 113.136 178.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -82.99 102.47 11.76 Favored 'General case' 0 CA--C 1.503 -0.851 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 -179.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 59.6 m -92.09 122.13 34.3 Favored 'General case' 0 N--CA 1.425 -1.721 0 CA-C-O 122.192 0.996 . . . . 0.0 109.981 179.694 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 55.2 mtp85 -122.82 165.23 16.95 Favored 'General case' 0 C--N 1.265 -3.08 0 CA-C-N 113.111 -1.859 . . . . 0.0 106.598 -174.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 75.3 m -128.58 136.35 50.61 Favored 'General case' 0 N--CA 1.411 -2.403 0 C-N-CA 119.519 -0.872 . . . . 0.0 110.744 177.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.3 mt -99.94 114.84 39.59 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.19 0 CA-C-N 114.455 -1.248 . . . . 0.0 107.804 -178.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.0 m -116.91 132.41 56.71 Favored 'General case' 0 C--N 1.289 -2.055 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 177.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.2 m -155.03 142.5 19.65 Favored 'General case' 0 C--N 1.275 -2.648 0 N-CA-C 106.958 -1.497 . . . . 0.0 106.958 178.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 . . . . . 0 CA--C 1.549 0.928 0 C-N-CA 124.674 1.19 . . . . 0.0 110.488 179.729 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.882 0 CA-C-O 120.438 -0.09 . . . . 0.0 113.304 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -118.47 143.41 46.73 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 122.118 -0.637 . . . . 0.0 109.832 -174.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.503 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 35.1 m -92.35 127.83 37.98 Favored 'General case' 0 CA--C 1.496 -1.098 0 CA-C-O 122.509 1.147 . . . . 0.0 113.802 -179.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -125.63 155.65 40.45 Favored 'General case' 0 C--N 1.28 -2.45 0 N-CA-C 104.582 -2.377 . . . . 0.0 104.582 178.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 10.9 m -114.53 135.21 54.38 Favored 'General case' 0 N--CA 1.412 -2.367 0 C-N-CA 117.931 -1.508 . . . . 0.0 111.946 -174.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.9 mp -120.94 149.67 42.28 Favored 'General case' 0 C--N 1.298 -1.657 0 CA-C-N 114.576 -1.193 . . . . 0.0 109.465 -178.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 55.8 m -111.7 129.41 56.11 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-O 121.477 0.656 . . . . 0.0 111.421 -178.142 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 8' ' ' ARG . 29.2 mmt180 -124.69 101.23 7.01 Favored 'General case' 0 N--CA 1.434 -1.272 0 CA-C-N 114.781 -1.1 . . . . 0.0 109.93 178.158 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 60.97 40.6 15.16 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 122.511 1.148 . . . . 0.0 110.23 176.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.97 -17.48 59.21 Favored Glycine 0 N--CA 1.436 -1.317 0 CA-C-N 114.676 -1.147 . . . . 0.0 111.977 179.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -87.6 96.05 10.27 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -178.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 59.5 m -87.39 119.69 27.92 Favored 'General case' 0 CA--C 1.471 -2.086 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 176.248 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.9 ttm-85 -135.27 143.41 46.25 Favored 'General case' 0 C--N 1.257 -3.421 0 CA-C-N 114.303 -1.317 . . . . 0.0 108.273 -173.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 34.9 m -97.02 136.92 36.89 Favored 'General case' 0 C--N 1.285 -2.23 0 C-N-CA 119.116 -1.033 . . . . 0.0 111.687 -175.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.7 tp -133.0 145.48 34.1 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.064 0 CA-C-N 114.711 -1.131 . . . . 0.0 109.288 -179.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.503 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 53.7 m -96.64 136.29 37.37 Favored 'General case' 0 CA--C 1.48 -1.742 0 CA-C-O 122.357 1.075 . . . . 0.0 110.391 176.306 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.0 m -141.92 138.47 32.05 Favored 'General case' 0 C--N 1.265 -3.072 0 N-CA-C 104.627 -2.36 . . . . 0.0 104.627 177.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.438 ' HG2' ' O ' ' A' ' 18' ' ' ARG . 65.2 ttt180 . . . . . 0 CA--C 1.568 1.648 0 CA-C-O 121.99 0.9 . . . . 0.0 110.579 -177.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.572 0 N-CA-C 112.289 -0.324 . . . . 0.0 112.289 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -125.45 146.67 49.52 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 -178.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 82.2 m -112.88 120.41 41.34 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-O 121.663 0.744 . . . . 0.0 110.48 176.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -111.63 135.1 52.68 Favored 'General case' 0 C--N 1.283 -2.313 0 N-CA-C 106.811 -1.552 . . . . 0.0 106.811 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 58.7 m -111.62 148.55 33.1 Favored 'General case' 0 C--N 1.286 -2.183 0 C-N-CA 119.095 -1.042 . . . . 0.0 112.348 -174.289 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.7 mt -133.71 159.69 39.8 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-N 114.937 -1.028 . . . . 0.0 108.483 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 62.2 m -129.3 132.88 47.24 Favored 'General case' 0 C--N 1.293 -1.873 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 175.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -145.88 142.18 28.53 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 107.505 -1.294 . . . . 0.0 107.505 178.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.421 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 37.7 ttp180 66.94 10.54 7.73 Favored 'General case' 0 N--CA 1.493 1.706 0 CA-C-O 121.584 0.707 . . . . 0.0 111.162 177.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.0 12.24 83.59 Favored Glycine 0 C--N 1.315 -0.603 0 N-CA-C 109.977 -1.249 . . . . 0.0 109.977 -173.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -113.19 109.57 18.99 Favored 'General case' 0 C--N 1.307 -1.25 0 C-N-CA 125.004 1.322 . . . . 0.0 107.83 -177.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 72.3 m -84.92 138.41 32.53 Favored 'General case' 0 C--N 1.297 -1.7 0 C-N-CA 119.808 -0.757 . . . . 0.0 110.59 179.453 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -142.08 138.96 32.1 Favored 'General case' 0 C--N 1.283 -2.313 0 CA-C-N 115.137 -0.938 . . . . 0.0 108.714 -171.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 79.5 m -109.39 140.35 43.21 Favored 'General case' 0 C--N 1.284 -2.248 0 C-N-CA 119.621 -0.831 . . . . 0.0 111.337 -179.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.6 mm -110.84 125.28 68.14 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.139 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 62.4 m -115.24 128.1 55.92 Favored 'General case' 0 C--N 1.293 -1.874 0 CA-C-O 121.255 0.55 . . . . 0.0 109.944 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.5 t -166.02 150.62 8.18 Favored 'General case' 0 C--N 1.279 -2.457 0 CA-C-N 114.701 -1.136 . . . . 0.0 108.064 -176.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.8 ttm180 . . . . . 0 CA--C 1.552 1.026 0 C-N-CA 124.64 1.176 . . . . 0.0 110.043 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.069 0 CA-C-O 120.437 -0.09 . . . . 0.0 112.882 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -95.43 135.89 36.49 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 47.7 m -113.07 143.89 43.56 Favored 'General case' 0 C--N 1.293 -1.861 0 CA-C-O 121.19 0.519 . . . . 0.0 111.612 -176.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 19.1 ttp85 -148.26 146.54 28.67 Favored 'General case' 0 C--N 1.308 -1.2 0 N-CA-C 107.075 -1.454 . . . . 0.0 107.075 179.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.47 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 57.7 m -104.51 146.05 29.42 Favored 'General case' 0 C--N 1.292 -1.912 0 C-N-CA 119.95 -0.7 . . . . 0.0 111.911 -177.153 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 91.2 mt -128.0 130.0 47.64 Favored 'General case' 0 N--CA 1.435 -1.196 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.704 -179.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 86.3 m -108.92 117.38 34.04 Favored 'General case' 0 C--N 1.291 -1.946 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 172.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 76.9 mtm180 -114.71 97.25 6.16 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.534 -174.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 54.6 42.47 31.26 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-O 122.245 1.021 . . . . 0.0 110.176 177.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.84 -27.8 18.82 Favored Glycine 0 N--CA 1.437 -1.294 0 CA-C-N 115.105 -0.952 . . . . 0.0 112.857 179.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -84.04 104.05 13.78 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 120.936 0.398 . . . . 0.0 110.802 -178.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 62.8 m -97.22 134.94 39.86 Favored 'General case' 0 C--N 1.297 -1.701 0 CA-C-O 121.779 0.8 . . . . 0.0 111.126 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -149.0 136.93 20.66 Favored 'General case' 0 C--N 1.28 -2.414 0 CA-C-N 114.148 -1.387 . . . . 0.0 108.294 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.47 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 63.7 m -97.05 136.25 37.87 Favored 'General case' 0 N--CA 1.426 -1.638 0 C-N-CA 119.633 -0.827 . . . . 0.0 109.963 177.042 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.7 tp -123.0 137.71 55.53 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.099 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.281 -174.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 61.8 m -111.72 139.1 47.47 Favored 'General case' 0 C--N 1.29 -1.997 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 176.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.2 t -144.16 124.32 13.7 Favored 'General case' 0 N--CA 1.417 -2.08 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.538 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 . . . . . 0 CA--C 1.554 1.124 0 C-N-CA 125.305 1.442 . . . . 0.0 110.474 -178.471 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.624 0 N-CA-C 112.077 -0.409 . . . . 0.0 112.077 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -102.69 142.86 33.14 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 -179.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 84.4 m -121.15 128.61 52.67 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-O 121.18 0.514 . . . . 0.0 110.86 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.6 ptt180 -130.62 136.03 48.46 Favored 'General case' 0 C--N 1.286 -2.176 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 178.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 57.8 m -113.06 149.71 33.05 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 -171.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -127.39 129.93 48.45 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 114.92 -1.037 . . . . 0.0 109.996 178.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 90.9 m -116.84 112.75 21.53 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 172.451 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 77.2 mtm180 -118.08 98.05 6.12 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.015 -173.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.6 tpt180 58.34 32.49 22.13 Favored 'General case' 0 CA--C 1.555 1.154 0 CA-C-O 122.178 0.99 . . . . 0.0 110.497 176.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.08 -25.75 12.32 Favored Glycine 0 N--CA 1.444 -0.83 0 CA-C-N 115.259 -0.882 . . . . 0.0 112.311 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -79.99 94.53 5.93 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 120.637 0.256 . . . . 0.0 110.807 -178.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 79.3 m -94.55 131.3 40.43 Favored 'General case' 0 CA--C 1.479 -1.779 0 CA-C-O 121.457 0.646 . . . . 0.0 109.656 175.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.2 ttp180 -155.04 134.94 12.9 Favored 'General case' 0 C--N 1.272 -2.79 0 CA-C-N 114.426 -1.261 . . . . 0.0 109.108 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 82.0 m -101.0 141.36 34.01 Favored 'General case' 0 C--N 1.297 -1.694 0 C-N-CA 120.717 -0.393 . . . . 0.0 111.059 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.5 mm -114.08 119.31 60.87 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.994 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -179.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 70.0 m -110.12 131.26 55.22 Favored 'General case' 0 C--N 1.294 -1.811 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 176.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.3 t -154.17 137.85 16.09 Favored 'General case' 0 C--N 1.277 -2.548 0 CA-C-N 114.929 -1.032 . . . . 0.0 108.661 -176.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 . . . . . 0 CA--C 1.564 1.484 0 C-N-CA 124.131 0.972 . . . . 0.0 110.539 -179.582 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.56 0 N-CA-C 113.477 0.151 . . . . 0.0 113.477 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -88.99 128.6 35.71 Favored 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 178.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 84.3 m -125.67 139.78 53.27 Favored 'General case' 0 C--N 1.283 -2.299 0 CA-C-O 121.547 0.689 . . . . 0.0 112.39 -177.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.403 ' HD2' ' HA ' ' A' ' 4' ' ' ARG . 14.5 mmm180 -131.68 130.28 41.83 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 172.003 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 57.4 m -106.27 144.08 33.49 Favored 'General case' 0 C--N 1.291 -1.969 0 C-N-CA 119.241 -0.984 . . . . 0.0 111.347 -176.195 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 67.7 tp -134.62 128.94 34.12 Favored 'General case' 0 C--N 1.296 -1.745 0 CA-C-N 114.806 -1.088 . . . . 0.0 109.975 -178.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 75.2 m -102.14 112.71 25.49 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 173.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -116.87 103.44 10.3 Favored 'General case' 0 C--N 1.295 -1.797 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.909 -176.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 53.8 ttt180 65.67 21.95 11.62 Favored 'General case' 0 CA--C 1.558 1.276 0 CA-C-O 121.968 0.89 . . . . 0.0 111.394 174.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.87 -15.88 33.75 Favored Glycine 0 C--N 1.304 -1.211 0 N-CA-C 111.364 -0.695 . . . . 0.0 111.364 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -88.62 99.3 12.22 Favored 'General case' 0 C--N 1.312 -1.048 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 178.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 78.9 m -87.96 129.55 35.21 Favored 'General case' 0 C--N 1.294 -1.827 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 175.079 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 -147.81 148.57 31.05 Favored 'General case' 0 C--N 1.269 -2.914 0 CA-C-N 114.509 -1.223 . . . . 0.0 107.808 -174.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 61.9 m -112.44 135.67 52.86 Favored 'General case' 0 N--CA 1.404 -2.733 0 C-N-CA 119.314 -0.954 . . . . 0.0 110.85 177.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.4 mm -99.04 111.22 28.06 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.518 0 N-CA-C 106.402 -1.703 . . . . 0.0 106.402 177.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 80.5 m -117.55 144.15 45.4 Favored 'General case' 0 C--N 1.29 -1.987 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.44 -178.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.0 t -149.24 123.08 9.31 Favored 'General case' 0 N--CA 1.41 -2.465 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.126 177.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.1 tpp180 . . . . . 0 C--N 1.304 -1.393 0 C-N-CA 126.136 1.775 . . . . 0.0 112.694 -177.901 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.098 0 N-CA-C 112.308 -0.317 . . . . 0.0 112.308 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -118.35 132.02 56.29 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-O 121.223 0.535 . . . . 0.0 110.606 -179.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 86.2 m -109.9 135.48 50.71 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.131 176.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 46.2 ttt85 -133.92 126.04 29.53 Favored 'General case' 0 C--N 1.287 -2.122 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 173.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 60.7 m -100.19 150.84 22.11 Favored 'General case' 0 C--N 1.301 -1.52 0 C-N-CA 119.558 -0.857 . . . . 0.0 113.009 -174.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 pp -137.49 150.94 47.94 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 114.927 -1.033 . . . . 0.0 110.122 178.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 71.0 m -122.14 124.83 44.79 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-O 121.265 0.555 . . . . 0.0 110.923 177.468 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -125.22 105.11 8.89 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.989 -177.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.404 ' HG2' ' O ' ' A' ' 9' ' ' ARG . 73.7 ttt180 54.19 44.19 29.5 Favored 'General case' 0 CA--C 1.557 1.215 0 CA-C-O 122.367 1.08 . . . . 0.0 111.519 177.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.32 -5.4 83.35 Favored Glycine 0 C--N 1.31 -0.888 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.71 178.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -102.57 103.73 14.08 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 178.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 61.7 m -93.81 132.75 37.91 Favored 'General case' 0 C--N 1.29 -1.983 0 CA-C-O 121.719 0.771 . . . . 0.0 109.727 178.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.4 ttt180 -134.9 143.94 47.23 Favored 'General case' 0 C--N 1.276 -2.621 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 -178.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 68.2 m -110.19 136.69 49.01 Favored 'General case' 0 N--CA 1.409 -2.509 0 C-N-CA 119.461 -0.896 . . . . 0.0 110.514 178.197 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.5 mm -98.92 101.66 12.39 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.389 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.1 m -107.45 124.47 49.92 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 177.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 59.4 m -158.97 143.46 15.64 Favored 'General case' 0 C--N 1.27 -2.888 0 N-CA-C 107.1 -1.444 . . . . 0.0 107.1 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 . . . . . 0 C--N 1.319 -0.718 0 C-N-CA 124.886 1.274 . . . . 0.0 110.809 177.768 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.415 0 N-CA-C 113.309 0.084 . . . . 0.0 113.309 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -102.75 126.13 49.75 Favored 'General case' 0 N--CA 1.434 -1.27 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 76.8 m -105.69 135.07 47.77 Favored 'General case' 0 C--N 1.284 -2.272 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.117 -176.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 4' ' ' ARG . 46.5 mtp180 -128.19 120.08 26.53 Favored 'General case' 0 C--N 1.291 -1.947 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 177.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 61.3 m -96.06 151.88 19.05 Favored 'General case' 0 C--N 1.281 -2.4 0 C-N-CA 120.485 -0.486 . . . . 0.0 111.533 -176.38 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 66.2 tp -136.21 140.67 43.7 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.941 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 69.8 m -121.27 119.63 32.78 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 174.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -134.31 131.42 38.34 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 62.23 27.19 16.32 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 124.627 1.171 . . . . 0.0 110.801 177.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.67 15.25 68.57 Favored Glycine 0 N--CA 1.441 -1.03 0 CA-C-N 115.333 -0.849 . . . . 0.0 112.198 179.02 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -121.11 120.97 36.85 Favored 'General case' 0 C--N 1.308 -1.23 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 84.1 m -101.93 137.41 40.26 Favored 'General case' 0 C--N 1.296 -1.746 0 CA-C-O 121.742 0.782 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.5 ptt180 -151.46 149.52 29.35 Favored 'General case' 0 C--N 1.281 -2.392 0 CA-C-N 114.649 -1.159 . . . . 0.0 108.911 -178.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 73.3 m -113.96 142.79 45.7 Favored 'General case' 0 C--N 1.297 -1.692 0 C-N-CA 119.713 -0.795 . . . . 0.0 112.229 -177.643 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.1 mp -121.44 135.68 60.8 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.184 0 N-CA-C 107.132 -1.433 . . . . 0.0 107.132 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.2 m -124.08 144.42 49.88 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-O 121.417 0.627 . . . . 0.0 111.358 -178.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.5 m -148.96 129.01 13.52 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 177.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 . . . . . 0 C--N 1.306 -1.296 0 C-N-CA 125.856 1.662 . . . . 0.0 110.49 -178.684 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.773 0 N-CA-C 112.638 -0.185 . . . . 0.0 112.638 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -114.57 141.7 47.41 Favored 'General case' 0 C--N 1.312 -1.054 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 -179.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 63.3 m -122.02 139.0 54.22 Favored 'General case' 0 C--N 1.3 -1.572 0 CA-C-O 121.267 0.556 . . . . 0.0 111.117 -178.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 22.2 tpp180 -131.06 143.26 50.55 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 105.789 -1.93 . . . . 0.0 105.789 175.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 51.5 m -100.87 144.77 29.41 Favored 'General case' 0 N--CA 1.419 -2.022 0 C-N-CA 118.77 -1.172 . . . . 0.0 111.732 -178.391 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 63.3 tp -134.87 139.94 45.42 Favored 'General case' 0 C--N 1.295 -1.762 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -176.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 43.6 m -112.08 124.85 53.32 Favored 'General case' 0 C--N 1.28 -2.442 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 178.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -108.97 103.23 12.23 Favored 'General case' 0 N--CA 1.421 -1.907 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.692 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.9 tpp180 55.71 40.69 30.84 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 124.256 1.022 . . . . 0.0 112.116 174.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.75 -14.96 53.03 Favored Glycine 0 N--CA 1.442 -0.929 0 C-N-CA 120.279 -0.962 . . . . 0.0 113.03 177.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -101.2 111.85 24.18 Favored 'General case' 0 CA--C 1.5 -0.978 0 CA-C-N 117.229 0.514 . . . . 0.0 111.306 178.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 76.1 m -89.41 130.76 35.71 Favored 'General case' 0 C--N 1.295 -1.771 0 CA-C-O 122.112 0.958 . . . . 0.0 110.731 177.314 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -142.38 161.9 36.85 Favored 'General case' 0 C--N 1.274 -2.716 0 CA-C-N 113.908 -1.497 . . . . 0.0 107.239 -175.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 49.3 m -121.55 134.48 55.03 Favored 'General case' 0 C--N 1.291 -1.966 0 C-N-CA 118.836 -1.146 . . . . 0.0 111.465 -179.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.0 mt -109.84 132.21 58.7 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 CA-C-N 114.768 -1.105 . . . . 0.0 108.286 -176.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 59.9 m -121.07 143.04 49.28 Favored 'General case' 0 C--N 1.296 -1.738 0 CA-C-O 121.177 0.513 . . . . 0.0 110.573 -176.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.6 m -157.19 137.49 12.83 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 175.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.9 ttm180 . . . . . 0 CA--C 1.543 0.696 0 C-N-CA 124.319 1.048 . . . . 0.0 110.296 176.405 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.339 0 N-CA-C 113.191 0.036 . . . . 0.0 113.191 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -114.5 132.12 56.4 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-O 121.171 0.51 . . . . 0.0 110.77 -176.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 73.1 m -99.17 136.25 39.39 Favored 'General case' 0 C--N 1.295 -1.78 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.884 179.28 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 19.8 ptp180 -136.62 138.83 41.59 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.498 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 58.8 m -101.86 132.65 47.51 Favored 'General case' 0 C--N 1.278 -2.521 0 C-N-CA 118.909 -1.116 . . . . 0.0 109.494 176.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.1 mt -123.79 140.02 53.4 Favored 'General case' 0 C--N 1.278 -2.517 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.006 -174.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 85.9 m -122.39 114.72 21.13 Favored 'General case' 0 C--N 1.28 -2.425 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 177.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 48.6 ttp180 -101.89 101.59 12.05 Favored 'General case' 0 C--N 1.293 -1.862 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 46.7 ttp180 49.34 51.43 16.34 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 113.762 -1.563 . . . . 0.0 111.484 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.07 -32.39 7.58 Favored Glycine 0 N--CA 1.436 -1.313 0 CA-C-N 115.424 -0.807 . . . . 0.0 113.709 178.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -86.33 110.55 19.75 Favored 'General case' 0 C--O 1.244 0.764 0 CA-C-N 117.67 0.735 . . . . 0.0 110.402 -176.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 69.0 m -100.13 142.93 30.94 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-O 121.426 0.632 . . . . 0.0 112.464 -176.465 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -156.41 151.16 25.94 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-N 115.016 -0.993 . . . . 0.0 108.667 174.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.498 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 59.1 m -104.14 126.12 51.0 Favored 'General case' 0 N--CA 1.426 -1.674 0 C-N-CA 119.601 -0.84 . . . . 0.0 110.792 179.186 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.9 mt -116.7 133.82 62.16 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.344 0 CA-C-N 114.294 -1.321 . . . . 0.0 109.148 -175.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 55.7 m -112.01 136.52 51.26 Favored 'General case' 0 C--N 1.293 -1.869 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.412 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 37.9 m -151.91 136.05 16.61 Favored 'General case' 0 C--N 1.295 -1.801 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 -178.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 18' ' ' ARG . 20.5 ttt180 . . . . . 0 CA--C 1.556 1.173 0 C-N-CA 125.23 1.412 . . . . 0.0 111.925 178.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.682 0 CA-C-O 120.34 -0.145 . . . . 0.0 113.367 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -107.13 143.13 35.74 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 -179.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.8 m -125.14 128.32 48.22 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 120.097 -0.641 . . . . 0.0 111.135 -176.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 46.8 ttp180 -107.05 145.63 32.14 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 106.124 -1.806 . . . . 0.0 106.124 174.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.461 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 40.2 m -112.95 141.89 46.26 Favored 'General case' 0 N--CA 1.411 -2.404 0 C-N-CA 118.634 -1.226 . . . . 0.0 111.799 -177.124 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.4 tp -113.99 117.58 31.74 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-N 114.512 -1.222 . . . . 0.0 109.947 -179.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.443 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 72.7 m -95.33 122.67 38.28 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.838 178.202 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.4 mtp180 -129.26 110.06 11.65 Favored 'General case' 0 C--O 1.251 1.159 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 60.74 31.26 20.09 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-O 122.468 1.128 . . . . 0.0 110.157 177.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.33 -24.6 31.56 Favored Glycine 0 N--CA 1.435 -1.425 0 CA-C-N 115.301 -0.863 . . . . 0.0 112.745 178.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -90.2 114.95 27.03 Favored 'General case' 0 CA--C 1.505 -0.757 0 CA-C-O 121.106 0.479 . . . . 0.0 110.008 -178.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.443 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 31.0 m -100.37 129.58 46.36 Favored 'General case' 0 C--N 1.299 -1.599 0 CA-C-O 121.52 0.676 . . . . 0.0 110.709 -178.336 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -122.85 138.54 54.62 Favored 'General case' 0 C--N 1.286 -2.159 0 CA-C-N 114.409 -1.269 . . . . 0.0 108.071 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.461 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 46.5 m -105.89 134.76 48.49 Favored 'General case' 0 C--N 1.294 -1.842 0 C-N-CA 119.339 -0.944 . . . . 0.0 112.91 -176.532 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.5 mp -106.74 125.78 62.67 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 CA-C-N 114.593 -1.185 . . . . 0.0 108.132 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 59.9 m -110.02 141.54 42.69 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-O 121.385 0.612 . . . . 0.0 111.693 -178.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.4 m -154.56 136.72 14.77 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 177.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 41.3 ttp180 . . . . . 0 CA--C 1.563 1.472 0 C-N-CA 124.594 1.158 . . . . 0.0 111.485 -179.315 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.788 0 N-CA-C 114.308 0.483 . . . . 0.0 114.308 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -105.96 125.72 51.33 Favored 'General case' 0 C--O 1.246 0.887 0 CA-C-N 117.559 0.679 . . . . 0.0 111.122 -175.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.6 m -108.98 140.57 42.31 Favored 'General case' 0 C--N 1.29 -2.014 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.467 178.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.9 ptp85 -147.53 144.81 28.79 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 177.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.46 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 78.2 m -108.76 143.35 38.02 Favored 'General case' 0 C--N 1.289 -2.055 0 C-N-CA 119.472 -0.891 . . . . 0.0 109.364 175.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 51.7 tp -134.05 143.24 47.93 Favored 'General case' 0 C--N 1.285 -2.228 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.652 -173.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 75.2 m -124.3 128.28 48.9 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 176.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 83.3 mtm180 -134.52 112.47 10.92 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.913 178.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.0 tpp180 59.43 35.32 22.93 Favored 'General case' 0 C--N 1.314 -0.971 0 C-N-CA 124.873 1.269 . . . . 0.0 111.755 173.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.49 -6.13 67.85 Favored Glycine 0 C--O 1.242 0.656 0 C-N-CA 120.808 -0.711 . . . . 0.0 113.071 177.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -103.36 107.32 18.1 Favored 'General case' 0 C--N 1.308 -1.208 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 178.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 78.7 m -98.53 132.78 43.68 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-O 121.577 0.704 . . . . 0.0 109.984 177.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -140.69 141.96 34.93 Favored 'General case' 0 C--N 1.271 -2.826 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 -176.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.46 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 74.0 m -104.32 135.38 45.88 Favored 'General case' 0 C--N 1.29 -1.981 0 C-N-CA 120.07 -0.652 . . . . 0.0 109.745 175.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.9 mp -121.64 121.29 64.09 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.151 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.124 -175.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.7 m -110.87 136.97 49.1 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 172.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.4 m -153.18 125.13 7.88 Favored 'General case' 0 C--N 1.281 -2.385 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 . . . . . 0 C--N 1.307 -1.257 0 C-N-CA 126.359 1.864 . . . . 0.0 112.547 179.181 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.774 0 N-CA-C 113.714 0.245 . . . . 0.0 113.714 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -120.93 142.5 49.67 Favored 'General case' 0 C--N 1.311 -1.089 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 179.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 46.3 m -112.22 116.64 30.76 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-O 121.868 0.842 . . . . 0.0 110.581 179.479 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -114.74 142.46 46.49 Favored 'General case' 0 C--N 1.28 -2.453 0 CA-C-N 114.132 -1.394 . . . . 0.0 107.489 -177.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.523 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 59.4 m -104.71 143.45 33.08 Favored 'General case' 0 N--CA 1.417 -2.101 0 C-N-CA 118.774 -1.17 . . . . 0.0 109.719 176.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 pp -130.93 155.8 46.16 Favored 'General case' 0 C--N 1.289 -2.062 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.726 -177.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 74.8 m -131.9 114.1 14.25 Favored 'General case' 0 C--N 1.292 -1.896 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 176.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -120.75 114.4 21.58 Favored 'General case' 0 N--CA 1.423 -1.805 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 -178.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 55.21 46.73 23.18 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 125.178 1.391 . . . . 0.0 110.676 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.6 -22.88 18.62 Favored Glycine 0 N--CA 1.439 -1.116 0 CA-C-N 115.657 -0.701 . . . . 0.0 113.07 177.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -89.97 112.83 24.36 Favored 'General case' 0 C--O 1.247 0.965 0 CA-C-N 116.987 0.393 . . . . 0.0 110.267 -176.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 63.8 m -99.2 134.75 41.6 Favored 'General case' 0 C--N 1.294 -1.832 0 CA-C-O 121.713 0.768 . . . . 0.0 110.323 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.9 tpt180 -146.27 144.55 29.92 Favored 'General case' 0 C--N 1.277 -2.557 0 CA-C-N 114.34 -1.3 . . . . 0.0 107.857 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.523 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 69.8 m -99.29 141.7 31.72 Favored 'General case' 0 N--CA 1.415 -2.216 0 C-N-CA 119.958 -0.697 . . . . 0.0 109.398 175.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.5 tp -131.22 130.7 63.48 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.994 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.166 -178.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 60.4 m -99.42 129.57 45.62 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 174.55 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.2 m -149.09 134.22 18.21 Favored 'General case' 0 C--N 1.282 -2.344 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -178.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.2 ttt180 . . . . . 0 CA--C 1.558 1.285 0 C-N-CA 124.95 1.3 . . . . 0.0 111.74 177.469 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.796 0 N-CA-C 113.828 0.291 . . . . 0.0 113.828 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -100.46 131.07 46.57 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 -178.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 53.0 m -108.0 129.52 55.12 Favored 'General case' 0 C--N 1.284 -2.24 0 CA-C-O 121.216 0.532 . . . . 0.0 110.935 -177.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -129.41 139.14 51.75 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 -179.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 47.2 m -97.78 141.21 31.06 Favored 'General case' 0 N--CA 1.421 -1.912 0 CA-C-O 121.796 0.808 . . . . 0.0 111.983 -178.655 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 39.4 tp -105.79 119.18 38.49 Favored 'General case' 0 C--N 1.292 -1.923 0 N-CA-C 106.857 -1.534 . . . . 0.0 106.857 179.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 73.9 m -114.73 136.4 53.1 Favored 'General case' 0 C--N 1.289 -2.032 0 CA-C-O 120.818 0.342 . . . . 0.0 111.046 -178.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -143.57 111.32 6.01 Favored 'General case' 0 N--CA 1.433 -1.292 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 44.7 ttp180 56.07 44.42 25.38 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-O 122.386 1.089 . . . . 0.0 110.398 179.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.12 -17.44 37.44 Favored Glycine 0 N--CA 1.439 -1.142 0 CA-C-N 115.067 -0.97 . . . . 0.0 113.424 177.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -90.12 112.03 23.36 Favored 'General case' 0 CA--C 1.504 -0.826 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 -178.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 78.6 m -105.19 135.46 46.5 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 121.609 0.718 . . . . 0.0 111.471 -178.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -124.94 121.4 34.36 Favored 'General case' 0 C--N 1.287 -2.142 0 N-CA-C 106.547 -1.649 . . . . 0.0 106.547 179.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 60.5 m -95.06 132.56 39.82 Favored 'General case' 0 C--N 1.298 -1.632 0 C-N-CA 119.298 -0.961 . . . . 0.0 112.455 -177.765 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.2 mm -124.64 128.13 73.26 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 CA-C-N 114.523 -1.217 . . . . 0.0 109.721 -174.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 73.2 m -97.49 134.19 41.06 Favored 'General case' 0 N--CA 1.427 -1.625 0 CA-C-O 121.747 0.784 . . . . 0.0 111.189 177.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.3 p -133.48 108.61 8.75 Favored 'General case' 0 C--N 1.29 -1.998 0 CA-C-N 114.147 -1.388 . . . . 0.0 110.35 -176.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 47.0 ttp180 . . . . . 0 CA--C 1.545 0.77 0 C-N-CA 124.473 1.109 . . . . 0.0 110.904 176.373 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.718 0 CA-C-O 120.773 0.096 . . . . 0.0 113.188 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -122.97 134.99 54.31 Favored 'General case' 0 N--CA 1.439 -0.987 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 83.0 m -103.99 141.82 35.52 Favored 'General case' 0 C--N 1.286 -2.166 0 CA-C-O 121.089 0.471 . . . . 0.0 111.626 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -132.86 131.34 40.86 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 177.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.5 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 64.5 m -100.83 131.56 46.65 Favored 'General case' 0 C--N 1.278 -2.508 0 C-N-CA 118.626 -1.229 . . . . 0.0 109.453 174.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 91.4 mt -125.2 148.29 48.69 Favored 'General case' 0 C--N 1.272 -2.766 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.784 -175.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 76.4 m -127.23 122.3 33.6 Favored 'General case' 0 C--N 1.293 -1.887 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 178.013 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.1 mtp180 -120.5 101.26 7.64 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 116.185 -0.462 . . . . 0.0 109.984 -178.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.1 tpp180 66.81 22.46 10.25 Favored 'General case' 0 CA--C 1.554 1.128 0 CA-C-O 122.259 1.028 . . . . 0.0 111.233 174.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.61 -15.35 26.94 Favored Glycine 0 N--CA 1.437 -1.249 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.793 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -86.28 103.02 14.49 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 177.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 77.3 m -96.4 134.49 39.49 Favored 'General case' 0 C--N 1.291 -1.946 0 CA-C-O 121.461 0.648 . . . . 0.0 109.914 177.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -149.5 142.99 25.36 Favored 'General case' 0 C--N 1.281 -2.401 0 CA-C-N 114.56 -1.2 . . . . 0.0 108.498 -177.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.5 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 58.9 m -105.95 128.37 53.76 Favored 'General case' 0 C--N 1.301 -1.513 0 C-N-CA 119.39 -0.924 . . . . 0.0 110.271 177.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.0 mm -114.67 137.16 48.98 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.43 0 CA-C-N 114.754 -1.112 . . . . 0.0 109.391 -175.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 55.8 m -118.88 131.45 56.06 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-O 121.358 0.599 . . . . 0.0 110.413 178.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.8 t -150.91 137.5 18.77 Favored 'General case' 0 C--N 1.29 -1.981 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.631 -177.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 50.1 ttp180 . . . . . 0 CA--C 1.55 0.964 0 C-N-CA 124.882 1.273 . . . . 0.0 109.854 -176.712 . . . . . . . . 0 0 . 1 stop_ save_