data_2muh_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 2muh _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 ' 5' ' ' LEU . . . . . 0.585 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 1.1 pt? . . . . . 0 CA--C 1.522 -0.108 0 CA-C-O 120.735 0.302 . . . . 0.0 110.383 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.57 115.71 27.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.099 0.476 . . . . 0.0 111.045 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -79.96 143.83 33.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.151 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 10.9 m -123.14 113.04 18.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.061 0.458 . . . . 0.0 110.649 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.434 ' HE ' ' HA ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -122.33 130.55 53.25 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.065 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.5 mtp-105 57.91 -114.39 0.78 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.762 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.13 27.18 9.14 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.709 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 41.5 p90 -148.71 146.16 27.99 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.628 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 39.9 m -126.73 167.9 15.12 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.715 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.2 p -153.39 143.56 14.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.033 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.401 ' O ' ' OXT' ' A' ' 16' ' ' VAL . 2.7 m -102.59 149.09 24.77 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.737 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.401 ' OXT' ' O ' ' A' ' 15' ' ' CYS . 17.0 t . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.633 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.502 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.233 0.219 0 N-CA-C 110.213 -0.292 . . . . 0.0 110.213 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 11.3 m -115.64 104.49 11.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.175 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -73.98 148.37 42.15 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.382 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.5 m -147.82 104.65 3.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.034 0.445 . . . . 0.0 110.862 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.4 mmm-85 -109.27 95.07 5.38 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.111 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.3 mmt85 63.28 -110.38 0.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.751 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -93.69 2.44 56.3 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.559 -0.292 . . . . 0.0 110.892 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.507 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 65.9 t80 -104.41 145.12 30.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.327 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.507 ' SG ' ' O ' ' A' ' 12' ' ' PHE . 62.6 m -157.12 146.83 20.58 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.921 0.391 . . . . 0.0 111.159 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.7 p -160.69 149.53 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.301 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' A' ' 5' ' ' LEU . 3.1 t -142.43 149.79 39.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.841 0.353 . . . . 0.0 111.335 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.2 m . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.578 179.992 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.516 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.465 0.286 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.9 m -118.28 105.43 11.75 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.943 0.401 . . . . 0.0 111.158 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -80.91 141.27 34.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.208 179.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.0 m -151.77 113.9 4.5 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.946 0.403 . . . . 0.0 111.04 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.447 ' CA ' ' HE ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -137.58 113.55 9.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.92 179.791 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.418 ' CG ' ' H ' ' A' ' 11' ' ' ARG . 9.9 tpp180 61.92 -126.47 0.76 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.306 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.418 ' H ' ' CG ' ' A' ' 10' ' ' ARG . 1.6 ptm180 -88.75 18.09 5.02 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.853 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -113.37 139.15 49.12 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.576 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.1 m -157.98 141.74 15.6 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.441 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.0 p -168.13 150.35 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.551 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.516 ' SG ' ' O ' ' A' ' 5' ' ' LEU . 4.8 t -148.83 156.05 41.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.977 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.401 ' OXT' ' O ' ' A' ' 15' ' ' CYS . 32.0 t . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.543 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.426 ' CD1' ' CZ ' ' A' ' 7' ' ' TYR . 0.7 OUTLIER . . . . . 0 C--O 1.233 0.199 0 CA-C-O 120.753 0.311 . . . . 0.0 110.371 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 67.8 m -115.67 99.05 7.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.23 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.426 ' CZ ' ' CD1' ' A' ' 5' ' ' LEU . 35.9 m-85 -66.29 109.38 2.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.88 179.189 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.1 m -108.33 127.98 54.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.965 0.412 . . . . 0.0 110.747 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.442 ' HE ' ' HB3' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -166.26 173.43 10.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.211 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.4 ttt85 45.42 -120.44 0.88 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.405 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -122.72 40.29 3.73 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.725 -0.216 . . . . 0.0 110.881 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -172.49 175.78 3.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.026 0.441 . . . . 0.0 110.919 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 99.1 m -138.43 162.02 35.53 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.571 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.3 t -138.94 121.4 17.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.629 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.0 m -111.92 133.97 53.77 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.865 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 25.7 m . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.556 -179.977 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.3 tp . . . . . 0 C--O 1.234 0.241 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.7 m -110.48 127.37 55.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.007 0.432 . . . . 0.0 111.5 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -86.42 144.13 27.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.042 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -137.46 135.41 36.83 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.593 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.414 ' HE ' ' HB2' ' A' ' 9' ' ' ARG . 12.4 tpp180 -152.34 135.74 15.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.483 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 62.0 mtt-85 54.57 -102.13 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.578 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -131.33 37.5 3.7 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.506 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -138.36 151.7 47.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.164 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -150.68 140.44 21.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.611 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.2 t -139.18 129.86 33.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.771 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.7 m -94.57 145.55 24.74 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.787 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.2 t . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 118.024 -0.988 . . . . 0.0 110.667 179.846 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.123 0 N-CA-C 110.091 -0.336 . . . . 0.0 110.091 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 67.9 m -113.76 123.96 51.12 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.017 0.437 . . . . 0.0 111.118 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -97.77 137.9 35.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.508 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.4 m -119.22 113.62 21.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.111 0.481 . . . . 0.0 110.957 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.6 tpp85 -110.11 99.29 8.4 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.975 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 62.61 -100.19 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.825 -179.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.4 ptp85 -111.41 -12.98 13.96 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.601 0.239 . . . . 0.0 111.122 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -101.72 118.15 36.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.824 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 76.9 m -116.47 160.98 19.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.607 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.5 p -147.15 137.36 17.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.16 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.679 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.459 ' O ' ' OXT' ' A' ' 16' ' ' VAL . 8.7 m -109.24 146.17 34.67 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.788 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.459 ' OXT' ' O ' ' A' ' 15' ' ' CYS . 16.7 t . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.944 -1.027 . . . . 0.0 110.722 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.461 0.107 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 92.0 m -127.38 104.97 8.21 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 120.957 0.408 . . . . 0.0 111.262 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -77.23 143.34 39.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.844 179.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -141.87 119.19 11.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.998 0.428 . . . . 0.0 110.809 -179.71 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.9 mtp85 -131.41 144.62 51.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.085 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 61.7 mtt-85 47.58 -103.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.362 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.33 50.21 2.24 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.47 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -154.45 134.72 13.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.406 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -122.59 151.37 41.5 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.558 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.8 t -150.39 134.53 8.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.767 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.6 m -119.53 155.01 32.97 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.986 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 28.7 m . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.585 -179.96 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 pp . . . . . 0 CA--C 1.521 -0.15 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 72.4 m -138.42 120.86 16.04 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.557 -0.457 . . . . 0.0 111.551 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.517 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 46.4 m-85 -81.72 139.11 35.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.68 179.183 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.479 ' C ' ' HE ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -150.08 110.38 4.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.884 0.373 . . . . 0.0 110.509 -179.82 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.479 ' HE ' ' C ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -149.1 152.95 37.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.291 179.746 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 41.74 -124.75 0.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.773 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -108.88 49.84 0.8 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.624 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -155.51 146.13 22.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.646 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.517 ' SG ' ' O ' ' A' ' 7' ' ' TYR . 2.0 t -156.99 150.35 24.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.27 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.3 p -162.0 150.43 4.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 C-N-CA 120.457 -0.497 . . . . 0.0 111.324 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.404 ' O ' ' O ' ' A' ' 16' ' ' VAL . 51.0 m -116.01 163.02 16.53 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.876 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.404 ' O ' ' O ' ' A' ' 15' ' ' CYS . 15.0 t . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.725 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 17.7 mt . . . . . 0 N--CA 1.462 0.149 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 98.4 m -95.17 94.94 8.21 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.051 0.453 . . . . 0.0 111.383 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.504 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 50.4 m-85 -72.14 137.53 47.06 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.577 179.093 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.93 111.52 12.14 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.816 0.341 . . . . 0.0 110.654 -179.616 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.5 tpp85 -121.67 123.01 40.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.994 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 56.03 -117.44 1.11 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.546 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.4 mtm180 -109.08 29.33 7.61 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.543 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -133.77 148.7 51.4 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.362 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.504 ' SG ' ' O ' ' A' ' 7' ' ' TYR . 0.4 OUTLIER -146.54 158.84 43.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.602 -179.903 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.8 p -164.02 140.57 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.984 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.2 m -114.81 143.33 45.26 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.996 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 20.0 t . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.511 -179.975 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.495 ' C ' ' SG ' ' A' ' 15' ' ' CYS . 16.9 tp . . . . . 0 C--O 1.23 0.078 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.5 m -108.35 100.01 9.35 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.328 -179.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -68.84 131.5 45.23 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 178.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 7.1 m -124.81 130.81 53.11 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.001 0.429 . . . . 0.0 111.082 -179.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.9 mtp180 -143.46 129.2 19.33 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.277 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.5 mmt180 56.09 -114.51 0.85 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.647 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.411 ' HE ' ' N ' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -117.0 35.87 4.45 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.75 -179.866 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.468 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 71.4 m-85 -143.49 158.03 43.97 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.463 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.468 ' SG ' ' O ' ' A' ' 12' ' ' PHE . 94.6 m -153.76 155.89 36.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.021 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 72.6 t -157.14 146.57 10.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.388 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.495 ' SG ' ' C ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -116.95 163.44 16.21 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.168 -179.685 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.457 ' C ' ' O ' ' A' ' 15' ' ' CYS . 9.9 m . . . . . 0 C--O 1.221 -0.402 0 CA-C-O 117.894 -1.05 . . . . 0.0 111.039 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.462 0.138 0 CA-C-O 120.829 0.347 . . . . 0.0 110.257 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.1 m -104.97 121.53 43.93 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 121.222 0.534 . . . . 0.0 111.896 -178.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -91.85 142.05 27.99 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.191 179.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.7 m -147.95 120.77 8.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.923 0.392 . . . . 0.0 110.633 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -135.8 122.39 20.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.448 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 46.42 -113.42 0.44 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.477 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -100.25 43.31 1.06 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.813 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.421 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 4.8 t80 -141.41 142.89 33.69 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.247 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.421 ' SG ' ' O ' ' A' ' 12' ' ' PHE . 9.1 m -158.86 134.8 8.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.764 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.2 p -166.64 145.61 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.403 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.504 ' O ' ' O ' ' A' ' 16' ' ' VAL . 1.6 t -123.24 152.83 40.92 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.481 -179.183 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.504 ' O ' ' O ' ' A' ' 15' ' ' CYS . 2.5 p . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.988 -1.006 . . . . 0.0 111.45 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.502 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 1.7 pp . . . . . 0 C--O 1.233 0.209 0 N-CA-C 109.921 -0.399 . . . . 0.0 109.921 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 16.6 m -114.52 109.84 18.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.998 0.428 . . . . 0.0 111.529 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.466 ' CE2' ' CD1' ' A' ' 5' ' ' LEU . 44.8 m-85 -75.44 120.83 21.43 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.977 179.304 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.6 m -115.02 102.28 9.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.065 0.46 . . . . 0.0 110.542 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -113.7 125.74 54.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.193 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.405 ' CG ' HH11 ' A' ' 10' ' ' ARG . 1.7 mmt85 57.95 -117.12 0.95 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.471 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.39 7.12 24.88 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.205 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.577 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -110.46 143.75 40.31 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.318 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 69.3 m -140.38 135.74 32.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.002 0.429 . . . . 0.0 110.851 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 84.1 t -135.26 148.24 28.79 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.953 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' A' ' 5' ' ' LEU . 0.9 OUTLIER -137.69 154.87 49.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.054 0.454 . . . . 0.0 111.278 -179.55 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.9 t . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 117.982 -1.009 . . . . 0.0 110.376 -179.79 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.473 ' C ' ' SG ' ' A' ' 15' ' ' CYS . 55.4 tp . . . . . 0 C--O 1.233 0.191 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 2.4 m -113.25 110.9 21.13 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.042 0.449 . . . . 0.0 111.612 -178.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -88.25 148.99 24.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.818 179.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -149.42 96.88 2.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.088 0.47 . . . . 0.0 111.162 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.7 tpp180 -111.08 65.98 0.62 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.984 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 34.5 mtm105 54.77 -99.49 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.883 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.4 mtp180 -54.27 -33.37 58.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.131 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -104.85 147.02 28.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.973 -179.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.2 t -174.28 124.73 0.32 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.671 179.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.4 p -175.14 159.9 0.29 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.473 ' SG ' ' C ' ' A' ' 5' ' ' LEU . 2.0 t -123.95 167.96 13.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.932 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.45 ' C ' ' O ' ' A' ' 15' ' ' CYS . 8.6 p . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.937 -1.03 . . . . 0.0 111.103 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.2 tp . . . . . 0 N--CA 1.458 -0.068 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.1 m -110.51 130.83 55.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.125 0.488 . . . . 0.0 111.474 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -94.37 142.11 27.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.187 179.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.484 ' SG ' ' O ' ' A' ' 12' ' ' PHE . 4.4 t -128.93 130.35 46.65 Favored 'General case' 0 N--CA 1.461 0.094 0 CA-C-O 121.355 0.597 . . . . 0.0 111.394 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 32.4 mtp180 -131.95 156.99 45.2 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.122 -0.945 . . . . 0.0 109.559 179.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 70.1 mtm-85 44.79 -110.12 0.19 Allowed 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.861 -0.335 . . . . 0.0 110.492 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -127.64 50.15 2.05 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.949 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.484 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 36.0 t80 -172.4 159.08 4.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.544 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.32 167.75 21.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.072 0.463 . . . . 0.0 111.245 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.6 p -145.14 138.27 21.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.391 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 65.5 m -93.19 143.32 26.37 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.913 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.6 p . . . . . 0 C--O 1.219 -0.534 0 CA-C-O 117.92 -1.038 . . . . 0.0 110.481 179.909 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.233 0.201 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.47 ' SG ' ' N ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER -104.17 113.92 27.81 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.191 0.52 . . . . 0.0 111.378 -179.396 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.504 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 50.7 m-85 -78.14 115.8 18.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.485 178.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 59.3 m -111.41 112.45 24.2 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.077 0.465 . . . . 0.0 110.938 -179.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.37 142.26 50.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.106 179.614 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.0 mtp85 46.59 -126.5 1.5 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.34 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.0 ptp85 -106.15 45.76 0.96 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.581 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -161.97 151.15 15.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.437 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.504 ' SG ' ' O ' ' A' ' 7' ' ' TYR . 8.9 t -146.39 158.84 43.94 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.841 0.353 . . . . 0.0 110.674 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.456 ' C ' ' SG ' ' A' ' 6' ' ' CYS . 7.2 p -146.19 138.04 19.53 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.138 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.986 -179.503 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.47 ' N ' ' SG ' ' A' ' 6' ' ' CYS . 19.4 m -97.86 145.63 26.23 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.899 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.423 ' OXT' ' O ' ' A' ' 15' ' ' CYS . 15.5 t . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.586 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.522 -0.131 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.481 ' SG ' ' C ' ' A' ' 14' ' ' VAL . 3.7 t -127.27 113.55 16.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.031 0.443 . . . . 0.0 111.246 -179.664 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -74.26 117.17 15.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.642 179.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -129.75 116.28 18.53 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.626 -179.542 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.5 tpp85 -141.61 143.5 33.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.152 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 31.4 mtt180 54.86 -101.2 0.12 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.523 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.0 mtm180 -127.41 -1.19 6.27 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.83 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -97.2 146.31 25.21 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.786 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -145.91 141.3 27.67 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.504 179.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.481 ' C ' ' SG ' ' A' ' 6' ' ' CYS . 57.8 t -147.64 119.55 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-O 120.743 0.306 . . . . 0.0 110.89 -179.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.459 ' N ' ' SG ' ' A' ' 6' ' ' CYS . 71.8 m -99.72 154.37 18.36 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.818 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 14.4 p . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.869 -179.874 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.4 tp . . . . . 0 C--O 1.233 0.205 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.57 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 2.8 m -108.92 121.29 44.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.177 0.513 . . . . 0.0 111.858 -179.047 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -85.43 139.54 31.45 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.748 179.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.2 m -126.1 103.98 8.01 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 121.117 0.484 . . . . 0.0 110.988 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 57.9 mtp180 -100.22 86.07 3.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.108 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 64.65 -115.26 0.37 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.899 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 31.4 mtm180 -84.15 -9.85 58.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.998 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -100.63 142.97 31.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 76.6 m -151.83 137.42 17.81 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.813 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.1 t -147.89 152.46 12.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.254 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.57 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 1.7 t -124.07 158.36 32.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.947 0.403 . . . . 0.0 111.353 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.3 t . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 118.112 -0.947 . . . . 0.0 110.399 -179.815 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.472 ' C ' ' SG ' ' A' ' 15' ' ' CYS . 1.1 mt . . . . . 0 N--CA 1.463 0.191 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.2 m -112.63 103.44 11.49 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.964 0.411 . . . . 0.0 111.26 -179.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -82.88 123.88 29.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.514 178.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.1 t -138.82 119.54 14.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.942 0.401 . . . . 0.0 111.004 -179.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.3 tpp85 -154.27 158.39 40.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.163 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.1 mtp85 47.89 -127.39 1.81 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.251 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.58 37.72 2.98 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.715 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.475 ' C ' ' SG ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -154.87 137.73 15.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.868 0.366 . . . . 0.0 110.457 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.475 ' SG ' ' C ' ' A' ' 12' ' ' PHE . 12.8 m -151.64 165.21 35.04 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.439 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.5 p -172.65 154.84 0.55 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-O 120.871 0.367 . . . . 0.0 110.812 -179.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.472 ' SG ' ' C ' ' A' ' 5' ' ' LEU . 3.3 t -139.14 150.93 46.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.058 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 17.5 m . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.05 -0.976 . . . . 0.0 110.538 179.831 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.171 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 94.3 m -115.01 101.63 9.19 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-O 120.995 0.426 . . . . 0.0 111.416 -179.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -72.65 140.89 48.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.658 179.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.5 m -130.79 101.74 5.79 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.105 0.479 . . . . 0.0 111.078 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.9 tpp85 -102.24 104.64 15.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.708 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.419 ' CG ' ' H ' ' A' ' 11' ' ' ARG . 0.2 OUTLIER 52.24 -131.22 2.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.25 -179.532 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.419 ' H ' ' CG ' ' A' ' 10' ' ' ARG . 4.8 mtt180 -81.6 30.96 0.35 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.288 -179.642 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -140.33 142.85 35.58 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.753 0.311 . . . . 0.0 110.314 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 94.9 m -146.75 159.7 43.16 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-O 120.885 0.374 . . . . 0.0 111.029 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.3 p -173.31 152.46 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.508 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.5 m -124.47 166.11 16.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.3 m . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.098 -0.953 . . . . 0.0 110.505 -179.967 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.514 ' C ' ' SG ' ' A' ' 15' ' ' CYS . 1.7 pp . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.679 0.276 . . . . 0.0 110.449 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 34.0 m -112.1 104.76 13.0 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -68.84 116.9 9.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.248 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.9 m -114.67 116.31 28.5 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.883 0.373 . . . . 0.0 110.731 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 57.7 mtp180 -137.5 146.05 43.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.379 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.4 mtt-85 44.9 -119.12 0.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.635 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.8 mtp180 -117.29 48.43 1.34 Allowed 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.847 0.356 . . . . 0.0 110.701 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -160.3 141.33 12.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.147 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 69.6 m -133.66 138.23 45.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.973 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 39.6 t -134.86 142.92 38.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.93 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.514 ' SG ' ' C ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -130.33 147.63 52.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.975 0.417 . . . . 0.0 110.955 -179.47 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.4 m . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.493 -179.994 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? . . . . . 0 N--CA 1.492 1.67 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 77.72 -118.13 4.93 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -169.43 138.27 4.97 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 37.1 ttm-85 -167.52 101.95 0.5 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.864 0.364 . . . . 0.0 110.41 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.585 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 1.1 pt? -167.35 153.0 7.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.383 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.57 115.71 27.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.099 0.476 . . . . 0.0 111.045 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -79.96 143.83 33.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.151 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 10.9 m -123.14 113.04 18.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.061 0.458 . . . . 0.0 110.649 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.434 ' HE ' ' HA ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -122.33 130.55 53.25 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.065 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.5 mtp-105 57.91 -114.39 0.78 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.762 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.13 27.18 9.14 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.709 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 41.5 p90 -148.71 146.16 27.99 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.628 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 39.9 m -126.73 167.9 15.12 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.715 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.2 p -153.39 143.56 14.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.033 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.401 ' O ' ' OXT' ' A' ' 16' ' ' VAL . 2.7 m -102.59 149.09 24.77 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.737 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.401 ' OXT' ' O ' ' A' ' 15' ' ' CYS . 17.0 t . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.633 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 66.8 ttp85 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -89.15 -129.37 3.54 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -72.34 153.04 48.96 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.7 ptp85 -92.65 119.81 32.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.87 0.367 . . . . 0.0 110.596 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.502 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER -138.03 136.46 36.89 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.213 179.886 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 11.3 m -115.64 104.49 11.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.175 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -73.98 148.37 42.15 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.382 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.5 m -147.82 104.65 3.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.034 0.445 . . . . 0.0 110.862 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.4 mmm-85 -109.27 95.07 5.38 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.111 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.3 mmt85 63.28 -110.38 0.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.751 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -93.69 2.44 56.3 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.559 -0.292 . . . . 0.0 110.892 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.507 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 65.9 t80 -104.41 145.12 30.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.327 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.507 ' SG ' ' O ' ' A' ' 12' ' ' PHE . 62.6 m -157.12 146.83 20.58 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.921 0.391 . . . . 0.0 111.159 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.7 p -160.69 149.53 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.301 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' A' ' 5' ' ' LEU . 3.1 t -142.43 149.79 39.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.841 0.353 . . . . 0.0 111.335 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.2 m . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.578 179.992 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 20.2 ttm180 . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -52.61 107.01 0.45 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -92.86 -150.49 26.53 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 64.8 mtt180 -92.66 -99.47 0.13 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.668 0.27 . . . . 0.0 110.544 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.516 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER -138.56 121.12 16.2 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.294 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.9 m -118.28 105.43 11.75 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.943 0.401 . . . . 0.0 111.158 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -80.91 141.27 34.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.208 179.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.0 m -151.77 113.9 4.5 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.946 0.403 . . . . 0.0 111.04 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.447 ' CA ' ' HE ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -137.58 113.55 9.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.92 179.791 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.418 ' CG ' ' H ' ' A' ' 11' ' ' ARG . 9.9 tpp180 61.92 -126.47 0.76 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.306 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.418 ' H ' ' CG ' ' A' ' 10' ' ' ARG . 1.6 ptm180 -88.75 18.09 5.02 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.853 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -113.37 139.15 49.12 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.576 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.1 m -157.98 141.74 15.6 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.441 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.0 p -168.13 150.35 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.551 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.516 ' SG ' ' O ' ' A' ' 5' ' ' LEU . 4.8 t -148.83 156.05 41.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.977 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.401 ' OXT' ' O ' ' A' ' 15' ' ' CYS . 32.0 t . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.543 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 9.2 ttm180 . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -164.64 -168.03 26.12 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 162.35 140.49 2.89 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 25.6 ptt180 -78.46 153.45 31.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.802 0.334 . . . . 0.0 110.563 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.426 ' CD1' ' CZ ' ' A' ' 7' ' ' TYR . 0.7 OUTLIER -159.77 155.01 25.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.371 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 67.8 m -115.67 99.05 7.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.23 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.426 ' CZ ' ' CD1' ' A' ' 5' ' ' LEU . 35.9 m-85 -66.29 109.38 2.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.88 179.189 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.1 m -108.33 127.98 54.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.965 0.412 . . . . 0.0 110.747 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.442 ' HE ' ' HB3' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -166.26 173.43 10.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.211 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.4 ttt85 45.42 -120.44 0.88 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.405 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -122.72 40.29 3.73 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.725 -0.216 . . . . 0.0 110.881 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -172.49 175.78 3.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.026 0.441 . . . . 0.0 110.919 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 99.1 m -138.43 162.02 35.53 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.571 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.3 t -138.94 121.4 17.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.629 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.0 m -111.92 133.97 53.77 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.865 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 25.7 m . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.556 -179.977 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 21.2 ttp85 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 80.64 -146.96 27.64 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 89.47 170.9 44.95 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.3 ptp180 -81.16 -178.14 6.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.917 0.389 . . . . 0.0 110.705 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.3 tp -156.02 98.88 1.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.704 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.7 m -110.48 127.37 55.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.007 0.432 . . . . 0.0 111.5 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -86.42 144.13 27.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.042 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -137.46 135.41 36.83 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.593 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.414 ' HE ' ' HB2' ' A' ' 9' ' ' ARG . 12.4 tpp180 -152.34 135.74 15.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.483 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 62.0 mtt-85 54.57 -102.13 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.578 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -131.33 37.5 3.7 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.506 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -138.36 151.7 47.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.164 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -150.68 140.44 21.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.611 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.2 t -139.18 129.86 33.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.771 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.7 m -94.57 145.55 24.74 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.787 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.2 t . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 118.024 -0.988 . . . . 0.0 110.667 179.846 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.8 tpp85 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 50.94 49.13 43.38 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -172.94 99.35 0.14 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 21.7 mtp-105 -92.11 132.44 36.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.907 0.384 . . . . 0.0 110.593 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.78 110.96 4.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.091 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 67.9 m -113.76 123.96 51.12 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.017 0.437 . . . . 0.0 111.118 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -97.77 137.9 35.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.508 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.4 m -119.22 113.62 21.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.111 0.481 . . . . 0.0 110.957 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.6 tpp85 -110.11 99.29 8.4 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.975 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 62.61 -100.19 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.825 -179.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.4 ptp85 -111.41 -12.98 13.96 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.601 0.239 . . . . 0.0 111.122 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -101.72 118.15 36.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.824 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 76.9 m -116.47 160.98 19.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.607 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.5 p -147.15 137.36 17.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.16 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.679 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.459 ' O ' ' OXT' ' A' ' 16' ' ' VAL . 8.7 m -109.24 146.17 34.67 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.788 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.459 ' OXT' ' O ' ' A' ' 15' ' ' CYS . 16.7 t . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.944 -1.027 . . . . 0.0 110.722 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 32.3 ttm180 . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 164.44 116.23 0.36 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 176.08 124.94 0.85 Allowed Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 76.9 mtm180 -146.48 122.44 10.69 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.81 0.338 . . . . 0.0 110.517 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -127.84 148.87 50.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.786 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 92.0 m -127.38 104.97 8.21 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 120.957 0.408 . . . . 0.0 111.262 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -77.23 143.34 39.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.844 179.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -141.87 119.19 11.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.998 0.428 . . . . 0.0 110.809 -179.71 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.9 mtp85 -131.41 144.62 51.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.085 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 61.7 mtt-85 47.58 -103.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.362 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.33 50.21 2.24 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.47 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -154.45 134.72 13.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.406 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -122.59 151.37 41.5 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.558 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.8 t -150.39 134.53 8.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.767 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.6 m -119.53 155.01 32.97 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.986 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 28.7 m . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.585 -179.96 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -171.73 -150.62 7.26 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.069 -0.813 . . . . 0.0 111.069 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 156.19 -53.67 0.42 Allowed Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -166.05 97.69 0.63 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.789 0.328 . . . . 0.0 110.488 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 pp -158.48 152.72 24.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.947 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 72.4 m -138.42 120.86 16.04 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.557 -0.457 . . . . 0.0 111.551 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.517 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 46.4 m-85 -81.72 139.11 35.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.68 179.183 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.479 ' C ' ' HE ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -150.08 110.38 4.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.884 0.373 . . . . 0.0 110.509 -179.82 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.479 ' HE ' ' C ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -149.1 152.95 37.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.291 179.746 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 41.74 -124.75 0.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.773 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -108.88 49.84 0.8 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.624 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -155.51 146.13 22.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.646 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.517 ' SG ' ' O ' ' A' ' 7' ' ' TYR . 2.0 t -156.99 150.35 24.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.27 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.3 p -162.0 150.43 4.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 C-N-CA 120.457 -0.497 . . . . 0.0 111.324 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.404 ' O ' ' O ' ' A' ' 16' ' ' VAL . 51.0 m -116.01 163.02 16.53 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.876 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.404 ' O ' ' O ' ' A' ' 15' ' ' CYS . 15.0 t . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.725 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.65 ' NE ' ' H ' ' A' ' 2' ' ' GLY . 1.7 tmm_? . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.65 ' H ' ' NE ' ' A' ' 1' ' ' ARG . . . -42.5 -72.98 0.25 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -165.27 108.15 0.32 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 21.9 ttm-85 -165.87 109.63 0.81 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.887 0.375 . . . . 0.0 110.615 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 17.7 mt -108.68 92.43 4.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.958 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 98.4 m -95.17 94.94 8.21 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.051 0.453 . . . . 0.0 111.383 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.504 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 50.4 m-85 -72.14 137.53 47.06 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.577 179.093 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.93 111.52 12.14 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.816 0.341 . . . . 0.0 110.654 -179.616 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.5 tpp85 -121.67 123.01 40.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.994 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 56.03 -117.44 1.11 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.546 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.4 mtm180 -109.08 29.33 7.61 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.543 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -133.77 148.7 51.4 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.362 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.504 ' SG ' ' O ' ' A' ' 7' ' ' TYR . 0.4 OUTLIER -146.54 158.84 43.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.602 -179.903 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.8 p -164.02 140.57 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.984 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.2 m -114.81 143.33 45.26 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.996 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 20.0 t . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.511 -179.975 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 57.0 ttp180 . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -77.29 167.58 54.2 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -88.86 -80.21 1.3 Allowed Glycine 0 CA--C 1.527 0.79 0 N-CA-C 110.801 -0.92 . . . . 0.0 110.801 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 27.1 mtp85 -135.33 130.58 35.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.694 0.283 . . . . 0.0 110.308 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.495 ' C ' ' SG ' ' A' ' 15' ' ' CYS . 16.9 tp -141.1 114.19 8.55 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.077 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.5 m -108.35 100.01 9.35 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.328 -179.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -68.84 131.5 45.23 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 178.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 7.1 m -124.81 130.81 53.11 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.001 0.429 . . . . 0.0 111.082 -179.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.9 mtp180 -143.46 129.2 19.33 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.277 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.5 mmt180 56.09 -114.51 0.85 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.647 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.411 ' HE ' ' N ' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -117.0 35.87 4.45 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.75 -179.866 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.468 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 71.4 m-85 -143.49 158.03 43.97 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.463 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.468 ' SG ' ' O ' ' A' ' 12' ' ' PHE . 94.6 m -153.76 155.89 36.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.021 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 72.6 t -157.14 146.57 10.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.388 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.495 ' SG ' ' C ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -116.95 163.44 16.21 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.168 -179.685 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.457 ' C ' ' O ' ' A' ' 15' ' ' CYS . 9.9 m . . . . . 0 C--O 1.221 -0.402 0 CA-C-O 117.894 -1.05 . . . . 0.0 111.039 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -133.88 72.54 0.47 Allowed Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 42.06 42.92 4.27 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.499 -0.64 . . . . 0.0 111.499 179.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 50.0 mtt-85 -95.58 164.46 12.78 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.38 120.14 13.43 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.829 0.347 . . . . 0.0 110.257 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.1 m -104.97 121.53 43.93 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 121.222 0.534 . . . . 0.0 111.896 -178.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -91.85 142.05 27.99 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.191 179.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.7 m -147.95 120.77 8.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.923 0.392 . . . . 0.0 110.633 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -135.8 122.39 20.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.448 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 46.42 -113.42 0.44 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.477 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -100.25 43.31 1.06 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.813 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.421 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 4.8 t80 -141.41 142.89 33.69 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.247 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.421 ' SG ' ' O ' ' A' ' 12' ' ' PHE . 9.1 m -158.86 134.8 8.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.764 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.2 p -166.64 145.61 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.403 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.504 ' O ' ' O ' ' A' ' 16' ' ' VAL . 1.6 t -123.24 152.83 40.92 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.481 -179.183 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.504 ' O ' ' O ' ' A' ' 15' ' ' CYS . 2.5 p . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.988 -1.006 . . . . 0.0 111.45 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.416 ' CG ' ' H ' ' A' ' 2' ' ' GLY . 19.1 ttm105 . . . . . 0 N--CA 1.491 1.622 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.416 ' H ' ' CG ' ' A' ' 1' ' ' ARG . . . 54.47 -179.33 0.21 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 179.14 143.14 5.24 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.781 -0.928 . . . . 0.0 110.781 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.409 ' H ' ' HD2' ' A' ' 4' ' ' ARG . 0.0 OUTLIER -99.02 134.93 41.15 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.942 0.401 . . . . 0.0 110.633 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.502 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 1.7 pp -157.55 135.24 10.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.921 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 16.6 m -114.52 109.84 18.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.998 0.428 . . . . 0.0 111.529 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.466 ' CE2' ' CD1' ' A' ' 5' ' ' LEU . 44.8 m-85 -75.44 120.83 21.43 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.977 179.304 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.6 m -115.02 102.28 9.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.065 0.46 . . . . 0.0 110.542 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -113.7 125.74 54.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.193 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.405 ' CG ' HH11 ' A' ' 10' ' ' ARG . 1.7 mmt85 57.95 -117.12 0.95 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.471 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.39 7.12 24.88 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.205 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.577 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -110.46 143.75 40.31 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.318 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 69.3 m -140.38 135.74 32.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.002 0.429 . . . . 0.0 110.851 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 84.1 t -135.26 148.24 28.79 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.953 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' A' ' 5' ' ' LEU . 0.9 OUTLIER -137.69 154.87 49.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.054 0.454 . . . . 0.0 111.278 -179.55 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.9 t . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 117.982 -1.009 . . . . 0.0 110.376 -179.79 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.696 ' H2 ' ' NE ' ' A' ' 1' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 178.69 178.25 47.88 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -158.92 124.42 1.37 Allowed Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 22.2 mmm-85 -127.54 -52.31 1.37 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.801 0.334 . . . . 0.0 110.417 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.473 ' C ' ' SG ' ' A' ' 15' ' ' CYS . 55.4 tp -139.68 92.42 2.56 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 2.4 m -113.25 110.9 21.13 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.042 0.449 . . . . 0.0 111.612 -178.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -88.25 148.99 24.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.818 179.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -149.42 96.88 2.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.088 0.47 . . . . 0.0 111.162 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.7 tpp180 -111.08 65.98 0.62 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.984 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 34.5 mtm105 54.77 -99.49 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.883 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.4 mtp180 -54.27 -33.37 58.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.131 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -104.85 147.02 28.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.973 -179.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.2 t -174.28 124.73 0.32 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.671 179.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.4 p -175.14 159.9 0.29 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.473 ' SG ' ' C ' ' A' ' 5' ' ' LEU . 2.0 t -123.95 167.96 13.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.932 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.45 ' C ' ' O ' ' A' ' 15' ' ' CYS . 8.6 p . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.937 -1.03 . . . . 0.0 111.103 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -79.24 51.48 3.91 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 161.26 109.51 0.24 Allowed Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 37.2 ttt180 -152.54 -21.32 0.17 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.813 0.34 . . . . 0.0 110.527 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.2 tp -165.36 112.75 0.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.111 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.1 m -110.51 130.83 55.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.125 0.488 . . . . 0.0 111.474 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -94.37 142.11 27.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.187 179.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.484 ' SG ' ' O ' ' A' ' 12' ' ' PHE . 4.4 t -128.93 130.35 46.65 Favored 'General case' 0 N--CA 1.461 0.094 0 CA-C-O 121.355 0.597 . . . . 0.0 111.394 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 32.4 mtp180 -131.95 156.99 45.2 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.122 -0.945 . . . . 0.0 109.559 179.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 70.1 mtm-85 44.79 -110.12 0.19 Allowed 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.861 -0.335 . . . . 0.0 110.492 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -127.64 50.15 2.05 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.949 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.484 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 36.0 t80 -172.4 159.08 4.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.544 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.32 167.75 21.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.072 0.463 . . . . 0.0 111.245 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.6 p -145.14 138.27 21.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.391 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 65.5 m -93.19 143.32 26.37 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.913 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.6 p . . . . . 0 C--O 1.219 -0.534 0 CA-C-O 117.92 -1.038 . . . . 0.0 110.481 179.909 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 13.4 tpp180 . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 150.55 -56.67 0.46 Allowed Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -68.68 140.11 34.37 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 -86.85 168.3 13.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.749 0.309 . . . . 0.0 110.452 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.89 118.03 12.62 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.093 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.47 ' SG ' ' N ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER -104.17 113.92 27.81 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.191 0.52 . . . . 0.0 111.378 -179.396 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.504 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 50.7 m-85 -78.14 115.8 18.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.485 178.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 59.3 m -111.41 112.45 24.2 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.077 0.465 . . . . 0.0 110.938 -179.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.37 142.26 50.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.106 179.614 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.0 mtp85 46.59 -126.5 1.5 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.34 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.0 ptp85 -106.15 45.76 0.96 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.581 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -161.97 151.15 15.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.437 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.504 ' SG ' ' O ' ' A' ' 7' ' ' TYR . 8.9 t -146.39 158.84 43.94 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.841 0.353 . . . . 0.0 110.674 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.456 ' C ' ' SG ' ' A' ' 6' ' ' CYS . 7.2 p -146.19 138.04 19.53 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.138 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.986 -179.503 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.47 ' N ' ' SG ' ' A' ' 6' ' ' CYS . 19.4 m -97.86 145.63 26.23 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.899 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.423 ' OXT' ' O ' ' A' ' 15' ' ' CYS . 15.5 t . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.586 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.655 ' HE ' ' N ' ' A' ' 1' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.48 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 95.45 137.77 9.29 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 78.22 -78.47 1.58 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.03 144.6 26.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.744 0.307 . . . . 0.0 110.608 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -161.11 135.59 7.21 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.747 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.481 ' SG ' ' C ' ' A' ' 14' ' ' VAL . 3.7 t -127.27 113.55 16.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.031 0.443 . . . . 0.0 111.246 -179.664 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -74.26 117.17 15.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.642 179.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -129.75 116.28 18.53 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.626 -179.542 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.5 tpp85 -141.61 143.5 33.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.152 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 31.4 mtt180 54.86 -101.2 0.12 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.523 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.0 mtm180 -127.41 -1.19 6.27 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.83 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -97.2 146.31 25.21 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.786 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -145.91 141.3 27.67 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.504 179.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.481 ' C ' ' SG ' ' A' ' 6' ' ' CYS . 57.8 t -147.64 119.55 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-O 120.743 0.306 . . . . 0.0 110.89 -179.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.459 ' N ' ' SG ' ' A' ' 6' ' ' CYS . 71.8 m -99.72 154.37 18.36 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.818 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 14.4 p . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.869 -179.874 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 15.1 ttm180 . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 82.55 -122.75 5.83 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 87.87 31.59 14.8 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.5 mtp85 -83.21 -50.99 7.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 0.0 110.696 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.4 tp -149.06 110.12 4.35 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.57 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 2.8 m -108.92 121.29 44.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.177 0.513 . . . . 0.0 111.858 -179.047 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -85.43 139.54 31.45 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.748 179.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.2 m -126.1 103.98 8.01 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 121.117 0.484 . . . . 0.0 110.988 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 57.9 mtp180 -100.22 86.07 3.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.108 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 64.65 -115.26 0.37 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.899 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 31.4 mtm180 -84.15 -9.85 58.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.998 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -100.63 142.97 31.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 76.6 m -151.83 137.42 17.81 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.813 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.1 t -147.89 152.46 12.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.254 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.57 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 1.7 t -124.07 158.36 32.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.947 0.403 . . . . 0.0 111.353 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.3 t . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 118.112 -0.947 . . . . 0.0 110.399 -179.815 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.499 ' CG ' ' H ' ' A' ' 2' ' ' GLY . 13.3 tpp180 . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.499 ' H ' ' CG ' ' A' ' 1' ' ' ARG . . . -91.2 143.04 16.38 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 175.69 -102.45 0.17 Allowed Glycine 0 CA--C 1.526 0.759 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 65.29 55.79 1.05 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.784 0.326 . . . . 0.0 110.518 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.472 ' C ' ' SG ' ' A' ' 15' ' ' CYS . 1.1 mt -116.37 116.35 27.56 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.09 -0.504 . . . . 0.0 109.844 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.2 m -112.63 103.44 11.49 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.964 0.411 . . . . 0.0 111.26 -179.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -82.88 123.88 29.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.514 178.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.1 t -138.82 119.54 14.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.942 0.401 . . . . 0.0 111.004 -179.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.3 tpp85 -154.27 158.39 40.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.163 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.1 mtp85 47.89 -127.39 1.81 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.251 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.58 37.72 2.98 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.715 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.475 ' C ' ' SG ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -154.87 137.73 15.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.868 0.366 . . . . 0.0 110.457 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.475 ' SG ' ' C ' ' A' ' 12' ' ' PHE . 12.8 m -151.64 165.21 35.04 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.439 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.5 p -172.65 154.84 0.55 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-O 120.871 0.367 . . . . 0.0 110.812 -179.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.472 ' SG ' ' C ' ' A' ' 5' ' ' LEU . 3.3 t -139.14 150.93 46.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.058 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 17.5 m . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.05 -0.976 . . . . 0.0 110.538 179.831 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -80.58 88.36 1.32 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 171.46 -32.83 0.14 Allowed Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -119.7 120.75 37.51 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.801 0.334 . . . . 0.0 110.43 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.15 133.34 47.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.253 -0.43 . . . . 0.0 109.977 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 94.3 m -115.01 101.63 9.19 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-O 120.995 0.426 . . . . 0.0 111.416 -179.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -72.65 140.89 48.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.658 179.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.5 m -130.79 101.74 5.79 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.105 0.479 . . . . 0.0 111.078 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.9 tpp85 -102.24 104.64 15.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.708 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.419 ' CG ' ' H ' ' A' ' 11' ' ' ARG . 0.2 OUTLIER 52.24 -131.22 2.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.25 -179.532 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.419 ' H ' ' CG ' ' A' ' 10' ' ' ARG . 4.8 mtt180 -81.6 30.96 0.35 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.288 -179.642 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -140.33 142.85 35.58 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.753 0.311 . . . . 0.0 110.314 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 94.9 m -146.75 159.7 43.16 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-O 120.885 0.374 . . . . 0.0 111.029 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.3 p -173.31 152.46 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.508 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.5 m -124.47 166.11 16.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.3 m . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.098 -0.953 . . . . 0.0 110.505 -179.967 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 28.8 ttp85 . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.02 151.66 49.24 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 163.01 118.56 0.46 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.464 ' CD ' ' N ' ' A' ' 4' ' ' ARG . 0.0 OUTLIER -127.54 177.19 6.93 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.81 0.338 . . . . 0.0 110.375 -179.76 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.514 ' C ' ' SG ' ' A' ' 15' ' ' CYS . 1.7 pp -161.13 150.93 17.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.449 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 34.0 m -112.1 104.76 13.0 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -68.84 116.9 9.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.248 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.9 m -114.67 116.31 28.5 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.883 0.373 . . . . 0.0 110.731 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 57.7 mtp180 -137.5 146.05 43.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.379 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.4 mtt-85 44.9 -119.12 0.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.635 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.8 mtp180 -117.29 48.43 1.34 Allowed 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.847 0.356 . . . . 0.0 110.701 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -160.3 141.33 12.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.147 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 69.6 m -133.66 138.23 45.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.973 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 39.6 t -134.86 142.92 38.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.93 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.514 ' SG ' ' C ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -130.33 147.63 52.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.975 0.417 . . . . 0.0 110.955 -179.47 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.4 m . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.493 -179.994 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.702 ' N ' HD23 ' A' ' 5' ' ' LEU . 1.1 pt? . . . . . 0 CA--C 1.522 -0.108 0 CA-C-O 120.735 0.302 . . . . 0.0 110.383 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.57 115.71 27.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.099 0.476 . . . . 0.0 111.045 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -79.96 143.83 33.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.151 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 10.9 m -123.14 113.04 18.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.061 0.458 . . . . 0.0 110.649 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.469 ' HE ' ' HA ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -122.33 130.55 53.25 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.065 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.5 mtp-105 57.91 -114.39 0.78 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.762 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.13 27.18 9.14 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.709 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 41.5 p90 -148.71 146.16 27.99 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.628 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 39.9 m -126.73 167.9 15.12 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.715 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.2 p -153.39 143.56 14.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.033 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.401 ' O ' ' OXT' ' A' ' 16' ' ' VAL . 2.7 m -102.59 149.09 24.77 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.737 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.401 ' OXT' ' O ' ' A' ' 15' ' ' CYS . 17.0 t . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.633 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.502 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.233 0.219 0 N-CA-C 110.213 -0.292 . . . . 0.0 110.213 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 11.3 m -115.64 104.49 11.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.175 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -73.98 148.37 42.15 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.382 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.5 m -147.82 104.65 3.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.034 0.445 . . . . 0.0 110.862 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.4 mmm-85 -109.27 95.07 5.38 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.111 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.3 mmt85 63.28 -110.38 0.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.751 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -93.69 2.44 56.3 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.559 -0.292 . . . . 0.0 110.892 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.507 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 65.9 t80 -104.41 145.12 30.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.327 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.507 ' SG ' ' O ' ' A' ' 12' ' ' PHE . 62.6 m -157.12 146.83 20.58 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.921 0.391 . . . . 0.0 111.159 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.7 p -160.69 149.53 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.301 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' A' ' 5' ' ' LEU . 3.1 t -142.43 149.79 39.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.841 0.353 . . . . 0.0 111.335 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.2 m . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.578 179.992 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.516 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.465 0.286 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.9 m -118.28 105.43 11.75 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.943 0.401 . . . . 0.0 111.158 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -80.91 141.27 34.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.208 179.188 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.0 m -151.77 113.9 4.5 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.946 0.403 . . . . 0.0 111.04 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.474 ' CA ' ' HE ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -137.58 113.55 9.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.92 179.791 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.9 tpp180 61.92 -126.47 0.76 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.306 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -88.75 18.09 5.02 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.853 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -113.37 139.15 49.12 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.576 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.1 m -157.98 141.74 15.6 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.441 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.0 p -168.13 150.35 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.551 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.516 ' SG ' ' O ' ' A' ' 5' ' ' LEU . 4.8 t -148.83 156.05 41.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.977 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.401 ' OXT' ' O ' ' A' ' 15' ' ' CYS . 32.0 t . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.543 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.514 HD11 ' CE2' ' A' ' 7' ' ' TYR . 0.7 OUTLIER . . . . . 0 C--O 1.233 0.199 0 CA-C-O 120.753 0.311 . . . . 0.0 110.371 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 67.8 m -115.67 99.05 7.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.23 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.514 ' CE2' HD11 ' A' ' 5' ' ' LEU . 35.9 m-85 -66.29 109.38 2.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.88 179.189 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.1 m -108.33 127.98 54.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.965 0.412 . . . . 0.0 110.747 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.457 ' HE ' ' HB3' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -166.26 173.43 10.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.211 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.4 ttt85 45.42 -120.44 0.88 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.405 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -122.72 40.29 3.73 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.725 -0.216 . . . . 0.0 110.881 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -172.49 175.78 3.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.026 0.441 . . . . 0.0 110.919 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 99.1 m -138.43 162.02 35.53 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.571 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.3 t -138.94 121.4 17.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.629 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.0 m -111.92 133.97 53.77 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.865 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 25.7 m . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.556 -179.977 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.3 tp . . . . . 0 C--O 1.234 0.241 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.7 m -110.48 127.37 55.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.007 0.432 . . . . 0.0 111.5 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -86.42 144.13 27.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.042 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -137.46 135.41 36.83 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.593 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.43 ' HE ' ' HB2' ' A' ' 9' ' ' ARG . 12.4 tpp180 -152.34 135.74 15.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.483 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 62.0 mtt-85 54.57 -102.13 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.578 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -131.33 37.5 3.7 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.506 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -138.36 151.7 47.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.164 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -150.68 140.44 21.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.611 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.2 t -139.18 129.86 33.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.771 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.7 m -94.57 145.55 24.74 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.787 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.2 t . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 118.024 -0.988 . . . . 0.0 110.667 179.846 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.123 0 N-CA-C 110.091 -0.336 . . . . 0.0 110.091 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 67.9 m -113.76 123.96 51.12 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.017 0.437 . . . . 0.0 111.118 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -97.77 137.9 35.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.508 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.4 m -119.22 113.62 21.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.111 0.481 . . . . 0.0 110.957 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.6 tpp85 -110.11 99.29 8.4 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.975 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 62.61 -100.19 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.825 -179.591 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.4 ptp85 -111.41 -12.98 13.96 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.601 0.239 . . . . 0.0 111.122 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -101.72 118.15 36.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.824 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 76.9 m -116.47 160.98 19.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.607 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.5 p -147.15 137.36 17.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.16 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.679 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.459 ' O ' ' OXT' ' A' ' 16' ' ' VAL . 8.7 m -109.24 146.17 34.67 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.788 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.459 ' OXT' ' O ' ' A' ' 15' ' ' CYS . 16.7 t . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.944 -1.027 . . . . 0.0 110.722 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.461 0.107 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 92.0 m -127.38 104.97 8.21 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 120.957 0.408 . . . . 0.0 111.262 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -77.23 143.34 39.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.844 179.108 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -141.87 119.19 11.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.998 0.428 . . . . 0.0 110.809 -179.71 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.9 mtp85 -131.41 144.62 51.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.085 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 61.7 mtt-85 47.58 -103.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.362 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.33 50.21 2.24 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.47 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -154.45 134.72 13.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.406 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -122.59 151.37 41.5 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.558 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.8 t -150.39 134.53 8.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.767 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.6 m -119.53 155.01 32.97 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.986 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 28.7 m . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.585 -179.96 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.796 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.5 pp . . . . . 0 CA--C 1.521 -0.15 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 72.4 m -138.42 120.86 16.04 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.557 -0.457 . . . . 0.0 111.551 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.517 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 46.4 m-85 -81.72 139.11 35.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.68 179.183 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.514 ' C ' ' HE ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -150.08 110.38 4.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.884 0.373 . . . . 0.0 110.509 -179.82 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.514 ' HE ' ' C ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -149.1 152.95 37.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.291 179.746 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 41.74 -124.75 0.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.773 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -108.88 49.84 0.8 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.624 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -155.51 146.13 22.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.646 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.517 ' SG ' ' O ' ' A' ' 7' ' ' TYR . 2.0 t -156.99 150.35 24.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.27 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.3 p -162.0 150.43 4.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 C-N-CA 120.457 -0.497 . . . . 0.0 111.324 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.404 ' O ' ' O ' ' A' ' 16' ' ' VAL . 51.0 m -116.01 163.02 16.53 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.876 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.404 ' O ' ' O ' ' A' ' 15' ' ' CYS . 15.0 t . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.725 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 17.7 mt . . . . . 0 N--CA 1.462 0.149 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 98.4 m -95.17 94.94 8.21 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.051 0.453 . . . . 0.0 111.383 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.504 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 50.4 m-85 -72.14 137.53 47.06 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.577 179.093 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.93 111.52 12.14 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.816 0.341 . . . . 0.0 110.654 -179.616 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.5 tpp85 -121.67 123.01 40.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.994 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 56.03 -117.44 1.11 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.546 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.4 mtm180 -109.08 29.33 7.61 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.543 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -133.77 148.7 51.4 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.362 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.504 ' SG ' ' O ' ' A' ' 7' ' ' TYR . 0.4 OUTLIER -146.54 158.84 43.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.602 -179.903 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.8 p -164.02 140.57 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.984 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.2 m -114.81 143.33 45.26 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.996 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 20.0 t . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.511 -179.975 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.566 HD21 ' CZ ' ' A' ' 7' ' ' TYR . 16.9 tp . . . . . 0 C--O 1.23 0.078 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.5 m -108.35 100.01 9.35 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.328 -179.399 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.566 ' CZ ' HD21 ' A' ' 5' ' ' LEU . 36.6 m-85 -68.84 131.5 45.23 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 178.543 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 7.1 m -124.81 130.81 53.11 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.001 0.429 . . . . 0.0 111.082 -179.377 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.9 mtp180 -143.46 129.2 19.33 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.277 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.5 mmt180 56.09 -114.51 0.85 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.647 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.446 ' HE ' ' N ' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -117.0 35.87 4.45 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.75 -179.866 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.468 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 71.4 m-85 -143.49 158.03 43.97 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.463 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.482 ' O ' HG23 ' A' ' 14' ' ' VAL . 94.6 m -153.76 155.89 36.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.021 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 13' ' ' CYS . 72.6 t -157.14 146.57 10.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.388 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.495 ' SG ' ' C ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -116.95 163.44 16.21 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.168 -179.685 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.457 ' C ' ' O ' ' A' ' 15' ' ' CYS . 9.9 m . . . . . 0 C--O 1.221 -0.402 0 CA-C-O 117.894 -1.05 . . . . 0.0 111.039 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.462 0.138 0 CA-C-O 120.829 0.347 . . . . 0.0 110.257 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.1 m -104.97 121.53 43.93 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 121.222 0.534 . . . . 0.0 111.896 -178.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -91.85 142.05 27.99 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.191 179.137 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.7 m -147.95 120.77 8.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.923 0.392 . . . . 0.0 110.633 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -135.8 122.39 20.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.448 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 46.42 -113.42 0.44 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.477 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.435 ' H ' ' HG2' ' A' ' 11' ' ' ARG . 2.6 ptm180 -100.25 43.31 1.06 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.813 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.421 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 4.8 t80 -141.41 142.89 33.69 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.247 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.421 ' SG ' ' O ' ' A' ' 12' ' ' PHE . 9.1 m -158.86 134.8 8.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.764 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.2 p -166.64 145.61 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.403 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.504 ' O ' ' O ' ' A' ' 16' ' ' VAL . 1.6 t -123.24 152.83 40.92 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.481 -179.183 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.611 ' OXT' HG13 ' A' ' 16' ' ' VAL . 2.5 p . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.988 -1.006 . . . . 0.0 111.45 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.502 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 1.7 pp . . . . . 0 C--O 1.233 0.209 0 N-CA-C 109.921 -0.399 . . . . 0.0 109.921 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 16.6 m -114.52 109.84 18.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.998 0.428 . . . . 0.0 111.529 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.466 ' CE2' ' CD1' ' A' ' 5' ' ' LEU . 44.8 m-85 -75.44 120.83 21.43 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.977 179.304 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.6 m -115.02 102.28 9.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.065 0.46 . . . . 0.0 110.542 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -113.7 125.74 54.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.193 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.412 ' CG ' HH11 ' A' ' 10' ' ' ARG . 1.7 mmt85 57.95 -117.12 0.95 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.471 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.39 7.12 24.88 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.205 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.577 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -110.46 143.75 40.31 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.318 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 69.3 m -140.38 135.74 32.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.002 0.429 . . . . 0.0 110.851 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 84.1 t -135.26 148.24 28.79 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.953 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' A' ' 5' ' ' LEU . 0.9 OUTLIER -137.69 154.87 49.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.054 0.454 . . . . 0.0 111.278 -179.55 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.9 t . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 117.982 -1.009 . . . . 0.0 110.376 -179.79 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.497 HD11 ' CZ ' ' A' ' 7' ' ' TYR . 55.4 tp . . . . . 0 C--O 1.233 0.191 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 2.4 m -113.25 110.9 21.13 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.042 0.449 . . . . 0.0 111.612 -178.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.497 ' CZ ' HD11 ' A' ' 5' ' ' LEU . 64.4 m-85 -88.25 148.99 24.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.818 179.01 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -149.42 96.88 2.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.088 0.47 . . . . 0.0 111.162 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.7 tpp180 -111.08 65.98 0.62 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.984 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.411 HH11 ' HB3' ' A' ' 10' ' ' ARG . 34.5 mtm105 54.77 -99.49 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.883 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.4 mtp180 -54.27 -33.37 58.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.131 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -104.85 147.02 28.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.973 -179.36 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.2 t -174.28 124.73 0.32 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.671 179.488 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.494 HG22 ' N ' ' A' ' 15' ' ' CYS . 8.4 p -175.14 159.9 0.29 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.494 ' N ' HG22 ' A' ' 14' ' ' VAL . 2.0 t -123.95 167.96 13.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.932 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.45 ' C ' ' O ' ' A' ' 15' ' ' CYS . 8.6 p . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.937 -1.03 . . . . 0.0 111.103 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.535 HD21 ' OH ' ' A' ' 7' ' ' TYR . 13.2 tp . . . . . 0 N--CA 1.458 -0.068 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.1 m -110.51 130.83 55.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.125 0.488 . . . . 0.0 111.474 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.535 ' OH ' HD21 ' A' ' 5' ' ' LEU . 88.0 m-85 -94.37 142.11 27.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.187 179.486 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.484 ' SG ' ' O ' ' A' ' 12' ' ' PHE . 4.4 t -128.93 130.35 46.65 Favored 'General case' 0 N--CA 1.461 0.094 0 CA-C-O 121.355 0.597 . . . . 0.0 111.394 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 32.4 mtp180 -131.95 156.99 45.2 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.122 -0.945 . . . . 0.0 109.559 179.344 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 70.1 mtm-85 44.79 -110.12 0.19 Allowed 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.861 -0.335 . . . . 0.0 110.492 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -127.64 50.15 2.05 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.949 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.484 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 36.0 t80 -172.4 159.08 4.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.544 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.32 167.75 21.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.072 0.463 . . . . 0.0 111.245 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.6 p -145.14 138.27 21.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.391 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 65.5 m -93.19 143.32 26.37 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.913 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.6 p . . . . . 0 C--O 1.219 -0.534 0 CA-C-O 117.92 -1.038 . . . . 0.0 110.481 179.909 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.233 0.201 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.47 ' SG ' ' N ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER -104.17 113.92 27.81 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.191 0.52 . . . . 0.0 111.378 -179.396 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.504 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 50.7 m-85 -78.14 115.8 18.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.485 178.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 59.3 m -111.41 112.45 24.2 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.077 0.465 . . . . 0.0 110.938 -179.207 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.37 142.26 50.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.106 179.614 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.0 mtp85 46.59 -126.5 1.5 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.34 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.0 ptp85 -106.15 45.76 0.96 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.581 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -161.97 151.15 15.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.437 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.504 ' SG ' ' O ' ' A' ' 7' ' ' TYR . 8.9 t -146.39 158.84 43.94 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.841 0.353 . . . . 0.0 110.674 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.456 ' C ' ' SG ' ' A' ' 6' ' ' CYS . 7.2 p -146.19 138.04 19.53 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.138 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.986 -179.503 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.47 ' N ' ' SG ' ' A' ' 6' ' ' CYS . 19.4 m -97.86 145.63 26.23 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.899 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.423 ' OXT' ' O ' ' A' ' 15' ' ' CYS . 15.5 t . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.586 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.522 -0.131 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.481 ' SG ' ' C ' ' A' ' 14' ' ' VAL . 3.7 t -127.27 113.55 16.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.031 0.443 . . . . 0.0 111.246 -179.664 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -74.26 117.17 15.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.642 179.376 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -129.75 116.28 18.53 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.626 -179.542 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.5 tpp85 -141.61 143.5 33.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.152 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 31.4 mtt180 54.86 -101.2 0.12 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.523 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.0 mtm180 -127.41 -1.19 6.27 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.83 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -97.2 146.31 25.21 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.786 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -145.91 141.3 27.67 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.504 179.737 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.481 ' C ' ' SG ' ' A' ' 6' ' ' CYS . 57.8 t -147.64 119.55 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-O 120.743 0.306 . . . . 0.0 110.89 -179.689 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.459 ' N ' ' SG ' ' A' ' 6' ' ' CYS . 71.8 m -99.72 154.37 18.36 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.818 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 14.4 p . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.869 -179.874 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.4 tp . . . . . 0 C--O 1.233 0.205 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.589 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 2.8 m -108.92 121.29 44.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.177 0.513 . . . . 0.0 111.858 -179.047 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -85.43 139.54 31.45 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.748 179.338 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.2 m -126.1 103.98 8.01 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 121.117 0.484 . . . . 0.0 110.988 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 57.9 mtp180 -100.22 86.07 3.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.108 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 64.65 -115.26 0.37 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.899 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 31.4 mtm180 -84.15 -9.85 58.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.998 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -100.63 142.97 31.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 76.6 m -151.83 137.42 17.81 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.813 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.1 t -147.89 152.46 12.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.254 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.589 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 1.7 t -124.07 158.36 32.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.947 0.403 . . . . 0.0 111.353 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.3 t . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 118.112 -0.947 . . . . 0.0 110.399 -179.815 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.472 ' C ' ' SG ' ' A' ' 15' ' ' CYS . 1.1 mt . . . . . 0 N--CA 1.463 0.191 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.2 m -112.63 103.44 11.49 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.964 0.411 . . . . 0.0 111.26 -179.426 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -82.88 123.88 29.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.514 178.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.1 t -138.82 119.54 14.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.942 0.401 . . . . 0.0 111.004 -179.195 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.3 tpp85 -154.27 158.39 40.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.163 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.1 mtp85 47.89 -127.39 1.81 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.251 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.58 37.72 2.98 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.715 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.475 ' C ' ' SG ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -154.87 137.73 15.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.868 0.366 . . . . 0.0 110.457 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.475 ' SG ' ' C ' ' A' ' 12' ' ' PHE . 12.8 m -151.64 165.21 35.04 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.439 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.433 HG22 ' N ' ' A' ' 15' ' ' CYS . 14.5 p -172.65 154.84 0.55 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-O 120.871 0.367 . . . . 0.0 110.812 -179.512 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.472 ' SG ' ' C ' ' A' ' 5' ' ' LEU . 3.3 t -139.14 150.93 46.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.058 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 17.5 m . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.05 -0.976 . . . . 0.0 110.538 179.831 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.171 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 94.3 m -115.01 101.63 9.19 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-O 120.995 0.426 . . . . 0.0 111.416 -179.451 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -72.65 140.89 48.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.658 179.058 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.5 m -130.79 101.74 5.79 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.105 0.479 . . . . 0.0 111.078 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.9 tpp85 -102.24 104.64 15.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.708 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 52.24 -131.22 2.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.25 -179.532 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -81.6 30.96 0.35 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.288 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -140.33 142.85 35.58 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.753 0.311 . . . . 0.0 110.314 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 94.9 m -146.75 159.7 43.16 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-O 120.885 0.374 . . . . 0.0 111.029 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.3 p -173.31 152.46 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.508 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.5 m -124.47 166.11 16.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.3 m . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.098 -0.953 . . . . 0.0 110.505 -179.967 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.805 HD11 ' CD2' ' A' ' 7' ' ' TYR . 1.7 pp . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.679 0.276 . . . . 0.0 110.449 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.509 ' N ' HD12 ' A' ' 5' ' ' LEU . 34.0 m -112.1 104.76 13.0 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.805 ' CD2' HD11 ' A' ' 5' ' ' LEU . 40.0 m-85 -68.84 116.9 9.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.248 179.647 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.9 m -114.67 116.31 28.5 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.883 0.373 . . . . 0.0 110.731 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 57.7 mtp180 -137.5 146.05 43.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.379 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.4 mtt-85 44.9 -119.12 0.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.635 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.8 mtp180 -117.29 48.43 1.34 Allowed 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.847 0.356 . . . . 0.0 110.701 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -160.3 141.33 12.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.147 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 69.6 m -133.66 138.23 45.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.973 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 39.6 t -134.86 142.92 38.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.93 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.514 ' SG ' ' C ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -130.33 147.63 52.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.975 0.417 . . . . 0.0 110.955 -179.47 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.4 m . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.493 -179.994 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? . . . . . 0 N--CA 1.492 1.67 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 77.72 -118.13 4.93 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -169.43 138.27 4.97 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 37.1 ttm-85 -167.52 101.95 0.5 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.864 0.364 . . . . 0.0 110.41 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.702 ' N ' HD23 ' A' ' 5' ' ' LEU . 1.1 pt? -167.35 153.0 7.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.383 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.57 115.71 27.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.099 0.476 . . . . 0.0 111.045 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -79.96 143.83 33.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.151 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 10.9 m -123.14 113.04 18.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.061 0.458 . . . . 0.0 110.649 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.469 ' HE ' ' HA ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -122.33 130.55 53.25 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.065 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.5 mtp-105 57.91 -114.39 0.78 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.762 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.13 27.18 9.14 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.709 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 41.5 p90 -148.71 146.16 27.99 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.628 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 39.9 m -126.73 167.9 15.12 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.715 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.2 p -153.39 143.56 14.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.033 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.401 ' O ' ' OXT' ' A' ' 16' ' ' VAL . 2.7 m -102.59 149.09 24.77 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.737 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.401 ' OXT' ' O ' ' A' ' 15' ' ' CYS . 17.0 t . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.633 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 66.8 ttp85 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -89.15 -129.37 3.54 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -72.34 153.04 48.96 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.7 ptp85 -92.65 119.81 32.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.87 0.367 . . . . 0.0 110.596 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.502 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER -138.03 136.46 36.89 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.213 179.886 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 11.3 m -115.64 104.49 11.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.175 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -73.98 148.37 42.15 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.382 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.5 m -147.82 104.65 3.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.034 0.445 . . . . 0.0 110.862 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.4 mmm-85 -109.27 95.07 5.38 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.111 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.3 mmt85 63.28 -110.38 0.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.751 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -93.69 2.44 56.3 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.559 -0.292 . . . . 0.0 110.892 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.507 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 65.9 t80 -104.41 145.12 30.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.327 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.507 ' SG ' ' O ' ' A' ' 12' ' ' PHE . 62.6 m -157.12 146.83 20.58 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.921 0.391 . . . . 0.0 111.159 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.7 p -160.69 149.53 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.301 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' A' ' 5' ' ' LEU . 3.1 t -142.43 149.79 39.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.841 0.353 . . . . 0.0 111.335 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.423 HG22 ' H ' ' A' ' 5' ' ' LEU . 8.2 m . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.578 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 20.2 ttm180 . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -52.61 107.01 0.45 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -92.86 -150.49 26.53 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 64.8 mtt180 -92.66 -99.47 0.13 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.668 0.27 . . . . 0.0 110.544 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.516 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER -138.56 121.12 16.2 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.294 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.9 m -118.28 105.43 11.75 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.943 0.401 . . . . 0.0 111.158 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -80.91 141.27 34.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.208 179.188 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.0 m -151.77 113.9 4.5 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.946 0.403 . . . . 0.0 111.04 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.474 ' CA ' ' HE ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -137.58 113.55 9.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.92 179.791 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.9 tpp180 61.92 -126.47 0.76 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.306 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -88.75 18.09 5.02 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.853 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -113.37 139.15 49.12 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.576 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.1 m -157.98 141.74 15.6 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.441 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.0 p -168.13 150.35 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.551 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.516 ' SG ' ' O ' ' A' ' 5' ' ' LEU . 4.8 t -148.83 156.05 41.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.977 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.401 ' OXT' ' O ' ' A' ' 15' ' ' CYS . 32.0 t . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.543 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 9.2 ttm180 . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -164.64 -168.03 26.12 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 162.35 140.49 2.89 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 25.6 ptt180 -78.46 153.45 31.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.802 0.334 . . . . 0.0 110.563 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.514 HD11 ' CE2' ' A' ' 7' ' ' TYR . 0.7 OUTLIER -159.77 155.01 25.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.371 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 67.8 m -115.67 99.05 7.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.23 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.514 ' CE2' HD11 ' A' ' 5' ' ' LEU . 35.9 m-85 -66.29 109.38 2.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.88 179.189 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.1 m -108.33 127.98 54.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.965 0.412 . . . . 0.0 110.747 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.457 ' HE ' ' HB3' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -166.26 173.43 10.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.211 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.4 ttt85 45.42 -120.44 0.88 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.405 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -122.72 40.29 3.73 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.725 -0.216 . . . . 0.0 110.881 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -172.49 175.78 3.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.026 0.441 . . . . 0.0 110.919 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 99.1 m -138.43 162.02 35.53 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.571 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.3 t -138.94 121.4 17.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.629 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.0 m -111.92 133.97 53.77 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.865 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 25.7 m . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.556 -179.977 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 21.2 ttp85 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 80.64 -146.96 27.64 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 89.47 170.9 44.95 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.3 ptp180 -81.16 -178.14 6.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.917 0.389 . . . . 0.0 110.705 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.3 tp -156.02 98.88 1.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.704 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.7 m -110.48 127.37 55.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.007 0.432 . . . . 0.0 111.5 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -86.42 144.13 27.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.042 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -137.46 135.41 36.83 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.593 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.43 ' HE ' ' HB2' ' A' ' 9' ' ' ARG . 12.4 tpp180 -152.34 135.74 15.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.483 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 62.0 mtt-85 54.57 -102.13 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.578 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -131.33 37.5 3.7 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.506 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -138.36 151.7 47.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.164 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -150.68 140.44 21.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.611 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.2 t -139.18 129.86 33.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.771 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.7 m -94.57 145.55 24.74 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.787 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.2 t . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 118.024 -0.988 . . . . 0.0 110.667 179.846 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.8 tpp85 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 50.94 49.13 43.38 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -172.94 99.35 0.14 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 21.7 mtp-105 -92.11 132.44 36.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.907 0.384 . . . . 0.0 110.593 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.78 110.96 4.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.091 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 67.9 m -113.76 123.96 51.12 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.017 0.437 . . . . 0.0 111.118 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -97.77 137.9 35.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.508 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.4 m -119.22 113.62 21.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.111 0.481 . . . . 0.0 110.957 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.6 tpp85 -110.11 99.29 8.4 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.975 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 62.61 -100.19 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.825 -179.591 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.4 ptp85 -111.41 -12.98 13.96 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.601 0.239 . . . . 0.0 111.122 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -101.72 118.15 36.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.824 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 76.9 m -116.47 160.98 19.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.607 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.5 p -147.15 137.36 17.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.16 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.679 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.459 ' O ' ' OXT' ' A' ' 16' ' ' VAL . 8.7 m -109.24 146.17 34.67 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.788 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.459 ' OXT' ' O ' ' A' ' 15' ' ' CYS . 16.7 t . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.944 -1.027 . . . . 0.0 110.722 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 32.3 ttm180 . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 164.44 116.23 0.36 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 176.08 124.94 0.85 Allowed Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 76.9 mtm180 -146.48 122.44 10.69 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.81 0.338 . . . . 0.0 110.517 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -127.84 148.87 50.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.786 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 92.0 m -127.38 104.97 8.21 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 120.957 0.408 . . . . 0.0 111.262 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -77.23 143.34 39.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.844 179.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -141.87 119.19 11.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.998 0.428 . . . . 0.0 110.809 -179.71 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.9 mtp85 -131.41 144.62 51.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.085 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 61.7 mtt-85 47.58 -103.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.362 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.33 50.21 2.24 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.47 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -154.45 134.72 13.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.406 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -122.59 151.37 41.5 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.558 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.8 t -150.39 134.53 8.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.767 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.6 m -119.53 155.01 32.97 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.986 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 28.7 m . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.585 -179.96 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -171.73 -150.62 7.26 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.069 -0.813 . . . . 0.0 111.069 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 156.19 -53.67 0.42 Allowed Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -166.05 97.69 0.63 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.789 0.328 . . . . 0.0 110.488 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.796 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.5 pp -158.48 152.72 24.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.947 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 72.4 m -138.42 120.86 16.04 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.557 -0.457 . . . . 0.0 111.551 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.517 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 46.4 m-85 -81.72 139.11 35.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.68 179.183 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.514 ' C ' ' HE ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -150.08 110.38 4.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.884 0.373 . . . . 0.0 110.509 -179.82 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.514 ' HE ' ' C ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -149.1 152.95 37.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.291 179.746 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 41.74 -124.75 0.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.773 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -108.88 49.84 0.8 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.624 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -155.51 146.13 22.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.646 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.517 ' SG ' ' O ' ' A' ' 7' ' ' TYR . 2.0 t -156.99 150.35 24.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.27 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.3 p -162.0 150.43 4.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 C-N-CA 120.457 -0.497 . . . . 0.0 111.324 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.404 ' O ' ' O ' ' A' ' 16' ' ' VAL . 51.0 m -116.01 163.02 16.53 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.876 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.404 ' O ' ' O ' ' A' ' 15' ' ' CYS . 15.0 t . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.725 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.706 ' HE ' ' H ' ' A' ' 2' ' ' GLY . 1.7 tmm_? . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.706 ' H ' ' HE ' ' A' ' 1' ' ' ARG . . . -42.5 -72.98 0.25 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -165.27 108.15 0.32 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 21.9 ttm-85 -165.87 109.63 0.81 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.887 0.375 . . . . 0.0 110.615 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 17.7 mt -108.68 92.43 4.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.958 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 98.4 m -95.17 94.94 8.21 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.051 0.453 . . . . 0.0 111.383 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.504 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 50.4 m-85 -72.14 137.53 47.06 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.577 179.093 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.93 111.52 12.14 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.816 0.341 . . . . 0.0 110.654 -179.616 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.5 tpp85 -121.67 123.01 40.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.994 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 56.03 -117.44 1.11 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.546 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.4 mtm180 -109.08 29.33 7.61 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.543 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -133.77 148.7 51.4 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.362 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.504 ' SG ' ' O ' ' A' ' 7' ' ' TYR . 0.4 OUTLIER -146.54 158.84 43.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.602 -179.903 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.8 p -164.02 140.57 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.984 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.2 m -114.81 143.33 45.26 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.996 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 20.0 t . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.511 -179.975 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 57.0 ttp180 . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -77.29 167.58 54.2 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -88.86 -80.21 1.3 Allowed Glycine 0 CA--C 1.527 0.79 0 N-CA-C 110.801 -0.92 . . . . 0.0 110.801 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 27.1 mtp85 -135.33 130.58 35.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.694 0.283 . . . . 0.0 110.308 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.566 HD21 ' CZ ' ' A' ' 7' ' ' TYR . 16.9 tp -141.1 114.19 8.55 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.077 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.5 m -108.35 100.01 9.35 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.328 -179.399 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.566 ' CZ ' HD21 ' A' ' 5' ' ' LEU . 36.6 m-85 -68.84 131.5 45.23 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 178.543 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 7.1 m -124.81 130.81 53.11 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.001 0.429 . . . . 0.0 111.082 -179.377 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.9 mtp180 -143.46 129.2 19.33 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.277 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.5 mmt180 56.09 -114.51 0.85 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.647 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.446 ' HE ' ' N ' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -117.0 35.87 4.45 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.75 -179.866 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.468 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 71.4 m-85 -143.49 158.03 43.97 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.463 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.482 ' O ' HG23 ' A' ' 14' ' ' VAL . 94.6 m -153.76 155.89 36.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.021 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 13' ' ' CYS . 72.6 t -157.14 146.57 10.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.388 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.495 ' SG ' ' C ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -116.95 163.44 16.21 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.168 -179.685 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.457 ' C ' ' O ' ' A' ' 15' ' ' CYS . 9.9 m . . . . . 0 C--O 1.221 -0.402 0 CA-C-O 117.894 -1.05 . . . . 0.0 111.039 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -133.88 72.54 0.47 Allowed Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 42.06 42.92 4.27 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.499 -0.64 . . . . 0.0 111.499 179.687 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 50.0 mtt-85 -95.58 164.46 12.78 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.38 120.14 13.43 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.829 0.347 . . . . 0.0 110.257 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.1 m -104.97 121.53 43.93 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 121.222 0.534 . . . . 0.0 111.896 -178.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -91.85 142.05 27.99 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.191 179.137 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.7 m -147.95 120.77 8.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.923 0.392 . . . . 0.0 110.633 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -135.8 122.39 20.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.448 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 46.42 -113.42 0.44 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.477 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.435 ' H ' ' HG2' ' A' ' 11' ' ' ARG . 2.6 ptm180 -100.25 43.31 1.06 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.813 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.421 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 4.8 t80 -141.41 142.89 33.69 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.247 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.421 ' SG ' ' O ' ' A' ' 12' ' ' PHE . 9.1 m -158.86 134.8 8.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.764 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.2 p -166.64 145.61 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.403 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.504 ' O ' ' O ' ' A' ' 16' ' ' VAL . 1.6 t -123.24 152.83 40.92 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.481 -179.183 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.611 ' OXT' HG13 ' A' ' 16' ' ' VAL . 2.5 p . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.988 -1.006 . . . . 0.0 111.45 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 19.1 ttm105 . . . . . 0 N--CA 1.491 1.622 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 54.47 -179.33 0.21 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 179.14 143.14 5.24 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.781 -0.928 . . . . 0.0 110.781 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.457 ' H ' ' HD2' ' A' ' 4' ' ' ARG . 0.0 OUTLIER -99.02 134.93 41.15 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.942 0.401 . . . . 0.0 110.633 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.502 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 1.7 pp -157.55 135.24 10.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.921 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 16.6 m -114.52 109.84 18.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.998 0.428 . . . . 0.0 111.529 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.466 ' CE2' ' CD1' ' A' ' 5' ' ' LEU . 44.8 m-85 -75.44 120.83 21.43 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.977 179.304 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.6 m -115.02 102.28 9.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.065 0.46 . . . . 0.0 110.542 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -113.7 125.74 54.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.193 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.412 ' CG ' HH11 ' A' ' 10' ' ' ARG . 1.7 mmt85 57.95 -117.12 0.95 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.471 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.39 7.12 24.88 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.205 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.577 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -110.46 143.75 40.31 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.318 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 69.3 m -140.38 135.74 32.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.002 0.429 . . . . 0.0 110.851 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 84.1 t -135.26 148.24 28.79 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.953 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' A' ' 5' ' ' LEU . 0.9 OUTLIER -137.69 154.87 49.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.054 0.454 . . . . 0.0 111.278 -179.55 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.9 t . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 117.982 -1.009 . . . . 0.0 110.376 -179.79 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.657 ' H1 ' ' NE ' ' A' ' 1' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 178.69 178.25 47.88 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -158.92 124.42 1.37 Allowed Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 22.2 mmm-85 -127.54 -52.31 1.37 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.801 0.334 . . . . 0.0 110.417 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.497 HD11 ' CZ ' ' A' ' 7' ' ' TYR . 55.4 tp -139.68 92.42 2.56 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 2.4 m -113.25 110.9 21.13 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.042 0.449 . . . . 0.0 111.612 -178.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.497 ' CZ ' HD11 ' A' ' 5' ' ' LEU . 64.4 m-85 -88.25 148.99 24.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.818 179.01 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -149.42 96.88 2.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.088 0.47 . . . . 0.0 111.162 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.7 tpp180 -111.08 65.98 0.62 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.984 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.411 HH11 ' HB3' ' A' ' 10' ' ' ARG . 34.5 mtm105 54.77 -99.49 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.883 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.4 mtp180 -54.27 -33.37 58.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.131 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -104.85 147.02 28.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.973 -179.36 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.2 t -174.28 124.73 0.32 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.671 179.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.494 HG22 ' N ' ' A' ' 15' ' ' CYS . 8.4 p -175.14 159.9 0.29 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.494 ' N ' HG22 ' A' ' 14' ' ' VAL . 2.0 t -123.95 167.96 13.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.932 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.45 ' C ' ' O ' ' A' ' 15' ' ' CYS . 8.6 p . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.937 -1.03 . . . . 0.0 111.103 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -79.24 51.48 3.91 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 161.26 109.51 0.24 Allowed Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 37.2 ttt180 -152.54 -21.32 0.17 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.813 0.34 . . . . 0.0 110.527 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.535 HD21 ' OH ' ' A' ' 7' ' ' TYR . 13.2 tp -165.36 112.75 0.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.111 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.1 m -110.51 130.83 55.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.125 0.488 . . . . 0.0 111.474 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.535 ' OH ' HD21 ' A' ' 5' ' ' LEU . 88.0 m-85 -94.37 142.11 27.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.187 179.486 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.484 ' SG ' ' O ' ' A' ' 12' ' ' PHE . 4.4 t -128.93 130.35 46.65 Favored 'General case' 0 N--CA 1.461 0.094 0 CA-C-O 121.355 0.597 . . . . 0.0 111.394 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 32.4 mtp180 -131.95 156.99 45.2 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.122 -0.945 . . . . 0.0 109.559 179.344 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 70.1 mtm-85 44.79 -110.12 0.19 Allowed 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.861 -0.335 . . . . 0.0 110.492 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -127.64 50.15 2.05 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.949 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.484 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 36.0 t80 -172.4 159.08 4.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.544 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.32 167.75 21.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.072 0.463 . . . . 0.0 111.245 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.6 p -145.14 138.27 21.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.391 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 65.5 m -93.19 143.32 26.37 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.913 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.6 p . . . . . 0 C--O 1.219 -0.534 0 CA-C-O 117.92 -1.038 . . . . 0.0 110.481 179.909 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 13.4 tpp180 . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 150.55 -56.67 0.46 Allowed Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -68.68 140.11 34.37 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 -86.85 168.3 13.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.749 0.309 . . . . 0.0 110.452 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.89 118.03 12.62 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.093 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.47 ' SG ' ' N ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER -104.17 113.92 27.81 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.191 0.52 . . . . 0.0 111.378 -179.396 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.504 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 50.7 m-85 -78.14 115.8 18.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.485 178.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 59.3 m -111.41 112.45 24.2 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.077 0.465 . . . . 0.0 110.938 -179.207 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.37 142.26 50.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.106 179.614 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.0 mtp85 46.59 -126.5 1.5 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.34 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.0 ptp85 -106.15 45.76 0.96 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.581 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -161.97 151.15 15.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.437 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.504 ' SG ' ' O ' ' A' ' 7' ' ' TYR . 8.9 t -146.39 158.84 43.94 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.841 0.353 . . . . 0.0 110.674 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.456 ' C ' ' SG ' ' A' ' 6' ' ' CYS . 7.2 p -146.19 138.04 19.53 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.138 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.986 -179.503 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.47 ' N ' ' SG ' ' A' ' 6' ' ' CYS . 19.4 m -97.86 145.63 26.23 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.899 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.423 ' OXT' ' O ' ' A' ' 15' ' ' CYS . 15.5 t . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.586 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.676 ' HE ' ' N ' ' A' ' 1' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.48 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 95.45 137.77 9.29 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 78.22 -78.47 1.58 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.401 ' HB3' HH11 ' A' ' 4' ' ' ARG . 0.0 OUTLIER -88.03 144.6 26.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.744 0.307 . . . . 0.0 110.608 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -161.11 135.59 7.21 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.747 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.481 ' SG ' ' C ' ' A' ' 14' ' ' VAL . 3.7 t -127.27 113.55 16.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.031 0.443 . . . . 0.0 111.246 -179.664 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -74.26 117.17 15.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.642 179.376 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -129.75 116.28 18.53 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.626 -179.542 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.5 tpp85 -141.61 143.5 33.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.152 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 31.4 mtt180 54.86 -101.2 0.12 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.523 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.0 mtm180 -127.41 -1.19 6.27 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.83 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -97.2 146.31 25.21 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.786 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -145.91 141.3 27.67 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.504 179.737 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.481 ' C ' ' SG ' ' A' ' 6' ' ' CYS . 57.8 t -147.64 119.55 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-O 120.743 0.306 . . . . 0.0 110.89 -179.689 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.459 ' N ' ' SG ' ' A' ' 6' ' ' CYS . 71.8 m -99.72 154.37 18.36 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.818 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 14.4 p . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.869 -179.874 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 15.1 ttm180 . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 82.55 -122.75 5.83 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 87.87 31.59 14.8 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.5 mtp85 -83.21 -50.99 7.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 0.0 110.696 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.4 tp -149.06 110.12 4.35 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.589 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 2.8 m -108.92 121.29 44.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.177 0.513 . . . . 0.0 111.858 -179.047 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -85.43 139.54 31.45 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.748 179.338 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.2 m -126.1 103.98 8.01 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 121.117 0.484 . . . . 0.0 110.988 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 57.9 mtp180 -100.22 86.07 3.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.108 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 64.65 -115.26 0.37 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.899 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 31.4 mtm180 -84.15 -9.85 58.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.998 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -100.63 142.97 31.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 76.6 m -151.83 137.42 17.81 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.813 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.1 t -147.89 152.46 12.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.254 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.589 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 1.7 t -124.07 158.36 32.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.947 0.403 . . . . 0.0 111.353 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.3 t . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 118.112 -0.947 . . . . 0.0 110.399 -179.815 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.475 ' CG ' ' H ' ' A' ' 2' ' ' GLY . 13.3 tpp180 . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.475 ' H ' ' CG ' ' A' ' 1' ' ' ARG . . . -91.2 143.04 16.38 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 175.69 -102.45 0.17 Allowed Glycine 0 CA--C 1.526 0.759 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 65.29 55.79 1.05 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.784 0.326 . . . . 0.0 110.518 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.472 ' C ' ' SG ' ' A' ' 15' ' ' CYS . 1.1 mt -116.37 116.35 27.56 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.09 -0.504 . . . . 0.0 109.844 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.2 m -112.63 103.44 11.49 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.964 0.411 . . . . 0.0 111.26 -179.426 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -82.88 123.88 29.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.514 178.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.1 t -138.82 119.54 14.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.942 0.401 . . . . 0.0 111.004 -179.195 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.3 tpp85 -154.27 158.39 40.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.163 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.1 mtp85 47.89 -127.39 1.81 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.251 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.58 37.72 2.98 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.715 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.475 ' C ' ' SG ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -154.87 137.73 15.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.868 0.366 . . . . 0.0 110.457 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.475 ' SG ' ' C ' ' A' ' 12' ' ' PHE . 12.8 m -151.64 165.21 35.04 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.439 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.433 HG22 ' N ' ' A' ' 15' ' ' CYS . 14.5 p -172.65 154.84 0.55 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-O 120.871 0.367 . . . . 0.0 110.812 -179.512 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.472 ' SG ' ' C ' ' A' ' 5' ' ' LEU . 3.3 t -139.14 150.93 46.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.058 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 17.5 m . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.05 -0.976 . . . . 0.0 110.538 179.831 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -80.58 88.36 1.32 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 171.46 -32.83 0.14 Allowed Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -119.7 120.75 37.51 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.801 0.334 . . . . 0.0 110.43 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.15 133.34 47.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.253 -0.43 . . . . 0.0 109.977 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 94.3 m -115.01 101.63 9.19 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-O 120.995 0.426 . . . . 0.0 111.416 -179.451 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -72.65 140.89 48.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.658 179.058 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.5 m -130.79 101.74 5.79 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.105 0.479 . . . . 0.0 111.078 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.9 tpp85 -102.24 104.64 15.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.708 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 52.24 -131.22 2.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.25 -179.532 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -81.6 30.96 0.35 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.288 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -140.33 142.85 35.58 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.753 0.311 . . . . 0.0 110.314 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 94.9 m -146.75 159.7 43.16 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-O 120.885 0.374 . . . . 0.0 111.029 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.3 p -173.31 152.46 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.508 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.5 m -124.47 166.11 16.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.3 m . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.098 -0.953 . . . . 0.0 110.505 -179.967 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 28.8 ttp85 . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.02 151.66 49.24 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 163.01 118.56 0.46 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.464 ' CD ' ' N ' ' A' ' 4' ' ' ARG . 0.0 OUTLIER -127.54 177.19 6.93 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.81 0.338 . . . . 0.0 110.375 -179.76 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.805 HD11 ' CD2' ' A' ' 7' ' ' TYR . 1.7 pp -161.13 150.93 17.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.449 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.509 ' N ' HD12 ' A' ' 5' ' ' LEU . 34.0 m -112.1 104.76 13.0 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.805 ' CD2' HD11 ' A' ' 5' ' ' LEU . 40.0 m-85 -68.84 116.9 9.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.248 179.647 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.9 m -114.67 116.31 28.5 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.883 0.373 . . . . 0.0 110.731 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 57.7 mtp180 -137.5 146.05 43.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.379 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.4 mtt-85 44.9 -119.12 0.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.635 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.8 mtp180 -117.29 48.43 1.34 Allowed 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.847 0.356 . . . . 0.0 110.701 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -160.3 141.33 12.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.147 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 69.6 m -133.66 138.23 45.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.973 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 39.6 t -134.86 142.92 38.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.93 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.514 ' SG ' ' C ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -130.33 147.63 52.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.975 0.417 . . . . 0.0 110.955 -179.47 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.4 m . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.493 -179.994 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.702 ' N ' HD23 ' A' ' 5' ' ' LEU . 1.1 pt? . . . . . 0 CA--C 1.522 -0.108 0 CA-C-O 120.735 0.302 . . . . 0.0 110.383 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.57 115.71 27.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.099 0.476 . . . . 0.0 111.045 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -79.96 143.83 33.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.151 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 10.9 m -123.14 113.04 18.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.061 0.458 . . . . 0.0 110.649 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.469 ' HE ' ' HA ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -122.33 130.55 53.25 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.065 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.5 mtp-105 57.91 -114.39 0.78 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.762 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.13 27.18 9.14 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.709 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 41.5 p90 -148.71 146.16 27.99 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.628 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 39.9 m -126.73 167.9 15.12 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.715 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.2 p -153.39 143.56 14.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.033 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.401 ' O ' ' OXT' ' A' ' 16' ' ' VAL . 2.7 m -102.59 149.09 24.77 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.737 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.401 ' OXT' ' O ' ' A' ' 15' ' ' CYS . 17.0 t . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.633 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.502 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.233 0.219 0 N-CA-C 110.213 -0.292 . . . . 0.0 110.213 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 11.3 m -115.64 104.49 11.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.175 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -73.98 148.37 42.15 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.382 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.5 m -147.82 104.65 3.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.034 0.445 . . . . 0.0 110.862 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.4 mmm-85 -109.27 95.07 5.38 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.111 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.3 mmt85 63.28 -110.38 0.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.751 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -93.69 2.44 56.3 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.559 -0.292 . . . . 0.0 110.892 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.507 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 65.9 t80 -104.41 145.12 30.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.327 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.507 ' SG ' ' O ' ' A' ' 12' ' ' PHE . 62.6 m -157.12 146.83 20.58 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.921 0.391 . . . . 0.0 111.159 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.7 p -160.69 149.53 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.301 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' A' ' 5' ' ' LEU . 3.1 t -142.43 149.79 39.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.841 0.353 . . . . 0.0 111.335 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.2 m . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.578 179.992 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.516 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.465 0.286 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.9 m -118.28 105.43 11.75 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.943 0.401 . . . . 0.0 111.158 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -80.91 141.27 34.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.208 179.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.0 m -151.77 113.9 4.5 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.946 0.403 . . . . 0.0 111.04 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.474 ' CA ' ' HE ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -137.58 113.55 9.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.92 179.791 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.9 tpp180 61.92 -126.47 0.76 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.306 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -88.75 18.09 5.02 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.853 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -113.37 139.15 49.12 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.576 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.1 m -157.98 141.74 15.6 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.441 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.0 p -168.13 150.35 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.551 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.516 ' SG ' ' O ' ' A' ' 5' ' ' LEU . 4.8 t -148.83 156.05 41.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.977 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.401 ' OXT' ' O ' ' A' ' 15' ' ' CYS . 32.0 t . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.543 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.514 HD11 ' CE2' ' A' ' 7' ' ' TYR . 0.7 OUTLIER . . . . . 0 C--O 1.233 0.199 0 CA-C-O 120.753 0.311 . . . . 0.0 110.371 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 67.8 m -115.67 99.05 7.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.23 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.514 ' CE2' HD11 ' A' ' 5' ' ' LEU . 35.9 m-85 -66.29 109.38 2.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.88 179.189 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.1 m -108.33 127.98 54.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.965 0.412 . . . . 0.0 110.747 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.457 ' HE ' ' HB3' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -166.26 173.43 10.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.211 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.4 ttt85 45.42 -120.44 0.88 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.405 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -122.72 40.29 3.73 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.725 -0.216 . . . . 0.0 110.881 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -172.49 175.78 3.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.026 0.441 . . . . 0.0 110.919 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 99.1 m -138.43 162.02 35.53 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.571 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.3 t -138.94 121.4 17.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.629 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.0 m -111.92 133.97 53.77 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.865 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 25.7 m . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.556 -179.977 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.3 tp . . . . . 0 C--O 1.234 0.241 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.7 m -110.48 127.37 55.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.007 0.432 . . . . 0.0 111.5 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -86.42 144.13 27.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.042 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -137.46 135.41 36.83 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.593 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.43 ' HE ' ' HB2' ' A' ' 9' ' ' ARG . 12.4 tpp180 -152.34 135.74 15.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.483 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 62.0 mtt-85 54.57 -102.13 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.578 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -131.33 37.5 3.7 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.506 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -138.36 151.7 47.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.164 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -150.68 140.44 21.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.611 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.2 t -139.18 129.86 33.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.771 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.7 m -94.57 145.55 24.74 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.787 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.2 t . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 118.024 -0.988 . . . . 0.0 110.667 179.846 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.123 0 N-CA-C 110.091 -0.336 . . . . 0.0 110.091 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 67.9 m -113.76 123.96 51.12 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.017 0.437 . . . . 0.0 111.118 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -97.77 137.9 35.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.508 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.4 m -119.22 113.62 21.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.111 0.481 . . . . 0.0 110.957 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.6 tpp85 -110.11 99.29 8.4 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.975 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 62.61 -100.19 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.825 -179.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.4 ptp85 -111.41 -12.98 13.96 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.601 0.239 . . . . 0.0 111.122 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -101.72 118.15 36.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.824 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 76.9 m -116.47 160.98 19.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.607 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.5 p -147.15 137.36 17.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.16 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.679 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.459 ' O ' ' OXT' ' A' ' 16' ' ' VAL . 8.7 m -109.24 146.17 34.67 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.788 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.459 ' OXT' ' O ' ' A' ' 15' ' ' CYS . 16.7 t . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.944 -1.027 . . . . 0.0 110.722 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.461 0.107 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 92.0 m -127.38 104.97 8.21 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 120.957 0.408 . . . . 0.0 111.262 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -77.23 143.34 39.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.844 179.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -141.87 119.19 11.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.998 0.428 . . . . 0.0 110.809 -179.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.9 mtp85 -131.41 144.62 51.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.085 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 61.7 mtt-85 47.58 -103.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.362 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.33 50.21 2.24 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.47 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -154.45 134.72 13.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.406 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -122.59 151.37 41.5 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.558 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.8 t -150.39 134.53 8.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.767 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.6 m -119.53 155.01 32.97 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.986 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 28.7 m . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.585 -179.96 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.796 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.5 pp . . . . . 0 CA--C 1.521 -0.15 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 72.4 m -138.42 120.86 16.04 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.557 -0.457 . . . . 0.0 111.551 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.517 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 46.4 m-85 -81.72 139.11 35.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.68 179.183 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.514 ' C ' ' HE ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -150.08 110.38 4.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.884 0.373 . . . . 0.0 110.509 -179.82 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.514 ' HE ' ' C ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -149.1 152.95 37.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.291 179.746 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 41.74 -124.75 0.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.773 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -108.88 49.84 0.8 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.624 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -155.51 146.13 22.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.646 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.517 ' SG ' ' O ' ' A' ' 7' ' ' TYR . 2.0 t -156.99 150.35 24.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.27 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.3 p -162.0 150.43 4.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 C-N-CA 120.457 -0.497 . . . . 0.0 111.324 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.404 ' O ' ' O ' ' A' ' 16' ' ' VAL . 51.0 m -116.01 163.02 16.53 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.876 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.404 ' O ' ' O ' ' A' ' 15' ' ' CYS . 15.0 t . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.725 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 17.7 mt . . . . . 0 N--CA 1.462 0.149 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 98.4 m -95.17 94.94 8.21 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.051 0.453 . . . . 0.0 111.383 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.504 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 50.4 m-85 -72.14 137.53 47.06 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.577 179.093 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.93 111.52 12.14 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.816 0.341 . . . . 0.0 110.654 -179.616 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.5 tpp85 -121.67 123.01 40.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.994 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 56.03 -117.44 1.11 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.546 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.4 mtm180 -109.08 29.33 7.61 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.543 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -133.77 148.7 51.4 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.362 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.504 ' SG ' ' O ' ' A' ' 7' ' ' TYR . 0.4 OUTLIER -146.54 158.84 43.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.602 -179.903 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.8 p -164.02 140.57 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.984 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.2 m -114.81 143.33 45.26 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.996 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 20.0 t . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.511 -179.975 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.566 HD21 ' CZ ' ' A' ' 7' ' ' TYR . 16.9 tp . . . . . 0 C--O 1.23 0.078 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.5 m -108.35 100.01 9.35 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.328 -179.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.566 ' CZ ' HD21 ' A' ' 5' ' ' LEU . 36.6 m-85 -68.84 131.5 45.23 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 178.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 7.1 m -124.81 130.81 53.11 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.001 0.429 . . . . 0.0 111.082 -179.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.9 mtp180 -143.46 129.2 19.33 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.277 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.5 mmt180 56.09 -114.51 0.85 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.647 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.446 ' HE ' ' N ' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -117.0 35.87 4.45 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.75 -179.866 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.468 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 71.4 m-85 -143.49 158.03 43.97 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.463 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.482 ' O ' HG23 ' A' ' 14' ' ' VAL . 94.6 m -153.76 155.89 36.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.021 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 13' ' ' CYS . 72.6 t -157.14 146.57 10.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.388 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.495 ' SG ' ' C ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -116.95 163.44 16.21 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.168 -179.685 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.457 ' C ' ' O ' ' A' ' 15' ' ' CYS . 9.9 m . . . . . 0 C--O 1.221 -0.402 0 CA-C-O 117.894 -1.05 . . . . 0.0 111.039 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.462 0.138 0 CA-C-O 120.829 0.347 . . . . 0.0 110.257 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.1 m -104.97 121.53 43.93 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 121.222 0.534 . . . . 0.0 111.896 -178.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -91.85 142.05 27.99 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.191 179.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.7 m -147.95 120.77 8.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.923 0.392 . . . . 0.0 110.633 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -135.8 122.39 20.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.448 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 46.42 -113.42 0.44 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.477 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.435 ' H ' ' HG2' ' A' ' 11' ' ' ARG . 2.6 ptm180 -100.25 43.31 1.06 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.813 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.421 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 4.8 t80 -141.41 142.89 33.69 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.247 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.421 ' SG ' ' O ' ' A' ' 12' ' ' PHE . 9.1 m -158.86 134.8 8.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.764 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.2 p -166.64 145.61 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.403 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.504 ' O ' ' O ' ' A' ' 16' ' ' VAL . 1.6 t -123.24 152.83 40.92 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.481 -179.183 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.611 ' OXT' HG13 ' A' ' 16' ' ' VAL . 2.5 p . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.988 -1.006 . . . . 0.0 111.45 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.502 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 1.7 pp . . . . . 0 C--O 1.233 0.209 0 N-CA-C 109.921 -0.399 . . . . 0.0 109.921 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 16.6 m -114.52 109.84 18.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.998 0.428 . . . . 0.0 111.529 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.466 ' CE2' ' CD1' ' A' ' 5' ' ' LEU . 44.8 m-85 -75.44 120.83 21.43 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.977 179.304 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.6 m -115.02 102.28 9.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.065 0.46 . . . . 0.0 110.542 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -113.7 125.74 54.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.193 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.412 ' CG ' HH11 ' A' ' 10' ' ' ARG . 1.7 mmt85 57.95 -117.12 0.95 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.471 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.39 7.12 24.88 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.205 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.577 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -110.46 143.75 40.31 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.318 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 69.3 m -140.38 135.74 32.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.002 0.429 . . . . 0.0 110.851 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 84.1 t -135.26 148.24 28.79 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.953 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' A' ' 5' ' ' LEU . 0.9 OUTLIER -137.69 154.87 49.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.054 0.454 . . . . 0.0 111.278 -179.55 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.9 t . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 117.982 -1.009 . . . . 0.0 110.376 -179.79 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.497 HD11 ' CZ ' ' A' ' 7' ' ' TYR . 55.4 tp . . . . . 0 C--O 1.233 0.191 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 2.4 m -113.25 110.9 21.13 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.042 0.449 . . . . 0.0 111.612 -178.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.497 ' CZ ' HD11 ' A' ' 5' ' ' LEU . 64.4 m-85 -88.25 148.99 24.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.818 179.01 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -149.42 96.88 2.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.088 0.47 . . . . 0.0 111.162 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.7 tpp180 -111.08 65.98 0.62 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.984 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.411 HH11 ' HB3' ' A' ' 10' ' ' ARG . 34.5 mtm105 54.77 -99.49 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.883 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.4 mtp180 -54.27 -33.37 58.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.131 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -104.85 147.02 28.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.973 -179.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.2 t -174.28 124.73 0.32 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.671 179.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.494 HG22 ' N ' ' A' ' 15' ' ' CYS . 8.4 p -175.14 159.9 0.29 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.494 ' N ' HG22 ' A' ' 14' ' ' VAL . 2.0 t -123.95 167.96 13.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.932 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.45 ' C ' ' O ' ' A' ' 15' ' ' CYS . 8.6 p . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.937 -1.03 . . . . 0.0 111.103 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.535 HD21 ' OH ' ' A' ' 7' ' ' TYR . 13.2 tp . . . . . 0 N--CA 1.458 -0.068 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.1 m -110.51 130.83 55.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.125 0.488 . . . . 0.0 111.474 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.535 ' OH ' HD21 ' A' ' 5' ' ' LEU . 88.0 m-85 -94.37 142.11 27.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.187 179.486 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.484 ' SG ' ' O ' ' A' ' 12' ' ' PHE . 4.4 t -128.93 130.35 46.65 Favored 'General case' 0 N--CA 1.461 0.094 0 CA-C-O 121.355 0.597 . . . . 0.0 111.394 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 32.4 mtp180 -131.95 156.99 45.2 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.122 -0.945 . . . . 0.0 109.559 179.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 70.1 mtm-85 44.79 -110.12 0.19 Allowed 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.861 -0.335 . . . . 0.0 110.492 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -127.64 50.15 2.05 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.949 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.484 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 36.0 t80 -172.4 159.08 4.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.544 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.32 167.75 21.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.072 0.463 . . . . 0.0 111.245 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.6 p -145.14 138.27 21.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.391 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 65.5 m -93.19 143.32 26.37 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.913 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.6 p . . . . . 0 C--O 1.219 -0.534 0 CA-C-O 117.92 -1.038 . . . . 0.0 110.481 179.909 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.233 0.201 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.47 ' SG ' ' N ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER -104.17 113.92 27.81 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.191 0.52 . . . . 0.0 111.378 -179.396 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.504 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 50.7 m-85 -78.14 115.8 18.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.485 178.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 59.3 m -111.41 112.45 24.2 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.077 0.465 . . . . 0.0 110.938 -179.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.37 142.26 50.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.106 179.614 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.0 mtp85 46.59 -126.5 1.5 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.34 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.0 ptp85 -106.15 45.76 0.96 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.581 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -161.97 151.15 15.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.437 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.504 ' SG ' ' O ' ' A' ' 7' ' ' TYR . 8.9 t -146.39 158.84 43.94 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.841 0.353 . . . . 0.0 110.674 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.456 ' C ' ' SG ' ' A' ' 6' ' ' CYS . 7.2 p -146.19 138.04 19.53 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.138 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.986 -179.503 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.47 ' N ' ' SG ' ' A' ' 6' ' ' CYS . 19.4 m -97.86 145.63 26.23 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.899 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.423 ' OXT' ' O ' ' A' ' 15' ' ' CYS . 15.5 t . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.586 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.522 -0.131 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.481 ' SG ' ' C ' ' A' ' 14' ' ' VAL . 3.7 t -127.27 113.55 16.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.031 0.443 . . . . 0.0 111.246 -179.664 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -74.26 117.17 15.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.642 179.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -129.75 116.28 18.53 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.626 -179.542 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.5 tpp85 -141.61 143.5 33.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.152 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 31.4 mtt180 54.86 -101.2 0.12 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.523 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.0 mtm180 -127.41 -1.19 6.27 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.83 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -97.2 146.31 25.21 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.786 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -145.91 141.3 27.67 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.504 179.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.481 ' C ' ' SG ' ' A' ' 6' ' ' CYS . 57.8 t -147.64 119.55 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-O 120.743 0.306 . . . . 0.0 110.89 -179.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.459 ' N ' ' SG ' ' A' ' 6' ' ' CYS . 71.8 m -99.72 154.37 18.36 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.818 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 14.4 p . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.869 -179.874 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.4 tp . . . . . 0 C--O 1.233 0.205 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.589 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 2.8 m -108.92 121.29 44.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.177 0.513 . . . . 0.0 111.858 -179.047 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -85.43 139.54 31.45 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.748 179.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.2 m -126.1 103.98 8.01 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 121.117 0.484 . . . . 0.0 110.988 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 57.9 mtp180 -100.22 86.07 3.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.108 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 64.65 -115.26 0.37 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.899 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 31.4 mtm180 -84.15 -9.85 58.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.998 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -100.63 142.97 31.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 76.6 m -151.83 137.42 17.81 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.813 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.1 t -147.89 152.46 12.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.254 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.589 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 1.7 t -124.07 158.36 32.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.947 0.403 . . . . 0.0 111.353 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.3 t . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 118.112 -0.947 . . . . 0.0 110.399 -179.815 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.472 ' C ' ' SG ' ' A' ' 15' ' ' CYS . 1.1 mt . . . . . 0 N--CA 1.463 0.191 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.2 m -112.63 103.44 11.49 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.964 0.411 . . . . 0.0 111.26 -179.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -82.88 123.88 29.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.514 178.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.1 t -138.82 119.54 14.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.942 0.401 . . . . 0.0 111.004 -179.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.3 tpp85 -154.27 158.39 40.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.163 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.1 mtp85 47.89 -127.39 1.81 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.251 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.58 37.72 2.98 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.715 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.475 ' C ' ' SG ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -154.87 137.73 15.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.868 0.366 . . . . 0.0 110.457 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.475 ' SG ' ' C ' ' A' ' 12' ' ' PHE . 12.8 m -151.64 165.21 35.04 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.439 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.433 HG22 ' N ' ' A' ' 15' ' ' CYS . 14.5 p -172.65 154.84 0.55 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-O 120.871 0.367 . . . . 0.0 110.812 -179.512 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.472 ' SG ' ' C ' ' A' ' 5' ' ' LEU . 3.3 t -139.14 150.93 46.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.058 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 17.5 m . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.05 -0.976 . . . . 0.0 110.538 179.831 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.171 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 94.3 m -115.01 101.63 9.19 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-O 120.995 0.426 . . . . 0.0 111.416 -179.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -72.65 140.89 48.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.658 179.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.5 m -130.79 101.74 5.79 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.105 0.479 . . . . 0.0 111.078 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.9 tpp85 -102.24 104.64 15.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.708 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 52.24 -131.22 2.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.25 -179.532 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -81.6 30.96 0.35 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.288 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -140.33 142.85 35.58 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.753 0.311 . . . . 0.0 110.314 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 94.9 m -146.75 159.7 43.16 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-O 120.885 0.374 . . . . 0.0 111.029 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.3 p -173.31 152.46 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.508 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.5 m -124.47 166.11 16.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.3 m . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.098 -0.953 . . . . 0.0 110.505 -179.967 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.805 HD11 ' CD2' ' A' ' 7' ' ' TYR . 1.7 pp . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.679 0.276 . . . . 0.0 110.449 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.509 ' N ' HD12 ' A' ' 5' ' ' LEU . 34.0 m -112.1 104.76 13.0 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.805 ' CD2' HD11 ' A' ' 5' ' ' LEU . 40.0 m-85 -68.84 116.9 9.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.248 179.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.9 m -114.67 116.31 28.5 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.883 0.373 . . . . 0.0 110.731 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 57.7 mtp180 -137.5 146.05 43.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.379 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.4 mtt-85 44.9 -119.12 0.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.635 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.8 mtp180 -117.29 48.43 1.34 Allowed 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.847 0.356 . . . . 0.0 110.701 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -160.3 141.33 12.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.147 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 69.6 m -133.66 138.23 45.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.973 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 39.6 t -134.86 142.92 38.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.93 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.514 ' SG ' ' C ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -130.33 147.63 52.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.975 0.417 . . . . 0.0 110.955 -179.47 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.4 m . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.493 -179.994 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? . . . . . 0 N--CA 1.492 1.67 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 77.72 -118.13 4.93 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -169.43 138.27 4.97 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 37.1 ttm-85 -167.52 101.95 0.5 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.864 0.364 . . . . 0.0 110.41 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.702 ' N ' HD23 ' A' ' 5' ' ' LEU . 1.1 pt? -167.35 153.0 7.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.383 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.57 115.71 27.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.099 0.476 . . . . 0.0 111.045 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -79.96 143.83 33.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.151 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 10.9 m -123.14 113.04 18.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.061 0.458 . . . . 0.0 110.649 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.469 ' HE ' ' HA ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -122.33 130.55 53.25 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.065 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.5 mtp-105 57.91 -114.39 0.78 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.762 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.13 27.18 9.14 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.709 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 41.5 p90 -148.71 146.16 27.99 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.628 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 39.9 m -126.73 167.9 15.12 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.715 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.2 p -153.39 143.56 14.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.033 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.401 ' O ' ' OXT' ' A' ' 16' ' ' VAL . 2.7 m -102.59 149.09 24.77 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.737 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.401 ' OXT' ' O ' ' A' ' 15' ' ' CYS . 17.0 t . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.633 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 66.8 ttp85 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -89.15 -129.37 3.54 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -72.34 153.04 48.96 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.7 ptp85 -92.65 119.81 32.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.87 0.367 . . . . 0.0 110.596 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.502 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER -138.03 136.46 36.89 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.213 179.886 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 11.3 m -115.64 104.49 11.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.175 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -73.98 148.37 42.15 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.382 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.5 m -147.82 104.65 3.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.034 0.445 . . . . 0.0 110.862 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.4 mmm-85 -109.27 95.07 5.38 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.111 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.3 mmt85 63.28 -110.38 0.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.751 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -93.69 2.44 56.3 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.559 -0.292 . . . . 0.0 110.892 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.507 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 65.9 t80 -104.41 145.12 30.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.327 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.507 ' SG ' ' O ' ' A' ' 12' ' ' PHE . 62.6 m -157.12 146.83 20.58 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.921 0.391 . . . . 0.0 111.159 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.7 p -160.69 149.53 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.301 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' A' ' 5' ' ' LEU . 3.1 t -142.43 149.79 39.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.841 0.353 . . . . 0.0 111.335 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.423 HG22 ' H ' ' A' ' 5' ' ' LEU . 8.2 m . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.578 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 20.2 ttm180 . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -52.61 107.01 0.45 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -92.86 -150.49 26.53 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 64.8 mtt180 -92.66 -99.47 0.13 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.668 0.27 . . . . 0.0 110.544 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.516 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER -138.56 121.12 16.2 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.294 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.9 m -118.28 105.43 11.75 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.943 0.401 . . . . 0.0 111.158 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -80.91 141.27 34.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.208 179.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.0 m -151.77 113.9 4.5 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.946 0.403 . . . . 0.0 111.04 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.474 ' CA ' ' HE ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -137.58 113.55 9.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.92 179.791 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.9 tpp180 61.92 -126.47 0.76 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.306 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -88.75 18.09 5.02 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.853 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -113.37 139.15 49.12 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.576 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.1 m -157.98 141.74 15.6 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.441 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.0 p -168.13 150.35 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.551 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.516 ' SG ' ' O ' ' A' ' 5' ' ' LEU . 4.8 t -148.83 156.05 41.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.977 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.401 ' OXT' ' O ' ' A' ' 15' ' ' CYS . 32.0 t . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.543 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 9.2 ttm180 . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -164.64 -168.03 26.12 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 162.35 140.49 2.89 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 25.6 ptt180 -78.46 153.45 31.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.802 0.334 . . . . 0.0 110.563 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.514 HD11 ' CE2' ' A' ' 7' ' ' TYR . 0.7 OUTLIER -159.77 155.01 25.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.371 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 67.8 m -115.67 99.05 7.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.23 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.514 ' CE2' HD11 ' A' ' 5' ' ' LEU . 35.9 m-85 -66.29 109.38 2.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.88 179.189 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.1 m -108.33 127.98 54.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.965 0.412 . . . . 0.0 110.747 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.457 ' HE ' ' HB3' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -166.26 173.43 10.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.211 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.4 ttt85 45.42 -120.44 0.88 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.405 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -122.72 40.29 3.73 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.725 -0.216 . . . . 0.0 110.881 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -172.49 175.78 3.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.026 0.441 . . . . 0.0 110.919 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 99.1 m -138.43 162.02 35.53 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.571 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.3 t -138.94 121.4 17.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.629 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.0 m -111.92 133.97 53.77 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.865 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 25.7 m . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.556 -179.977 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 21.2 ttp85 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 80.64 -146.96 27.64 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 89.47 170.9 44.95 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.3 ptp180 -81.16 -178.14 6.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.917 0.389 . . . . 0.0 110.705 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.3 tp -156.02 98.88 1.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.704 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.7 m -110.48 127.37 55.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.007 0.432 . . . . 0.0 111.5 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -86.42 144.13 27.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.042 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -137.46 135.41 36.83 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.593 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.43 ' HE ' ' HB2' ' A' ' 9' ' ' ARG . 12.4 tpp180 -152.34 135.74 15.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.483 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 62.0 mtt-85 54.57 -102.13 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.578 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -131.33 37.5 3.7 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.506 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -138.36 151.7 47.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.164 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -150.68 140.44 21.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.611 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.2 t -139.18 129.86 33.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.771 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.7 m -94.57 145.55 24.74 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.787 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.2 t . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 118.024 -0.988 . . . . 0.0 110.667 179.846 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.8 tpp85 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 50.94 49.13 43.38 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -172.94 99.35 0.14 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 21.7 mtp-105 -92.11 132.44 36.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.907 0.384 . . . . 0.0 110.593 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.78 110.96 4.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.091 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 67.9 m -113.76 123.96 51.12 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.017 0.437 . . . . 0.0 111.118 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -97.77 137.9 35.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.508 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.4 m -119.22 113.62 21.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.111 0.481 . . . . 0.0 110.957 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.6 tpp85 -110.11 99.29 8.4 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.975 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 62.61 -100.19 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.825 -179.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.4 ptp85 -111.41 -12.98 13.96 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.601 0.239 . . . . 0.0 111.122 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -101.72 118.15 36.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.824 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 76.9 m -116.47 160.98 19.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.607 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.5 p -147.15 137.36 17.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.16 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.679 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.459 ' O ' ' OXT' ' A' ' 16' ' ' VAL . 8.7 m -109.24 146.17 34.67 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.788 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.459 ' OXT' ' O ' ' A' ' 15' ' ' CYS . 16.7 t . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.944 -1.027 . . . . 0.0 110.722 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 32.3 ttm180 . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 164.44 116.23 0.36 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 176.08 124.94 0.85 Allowed Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 76.9 mtm180 -146.48 122.44 10.69 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.81 0.338 . . . . 0.0 110.517 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -127.84 148.87 50.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.786 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 92.0 m -127.38 104.97 8.21 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 120.957 0.408 . . . . 0.0 111.262 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -77.23 143.34 39.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.844 179.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -141.87 119.19 11.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.998 0.428 . . . . 0.0 110.809 -179.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.9 mtp85 -131.41 144.62 51.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.085 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 61.7 mtt-85 47.58 -103.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.362 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.33 50.21 2.24 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.47 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -154.45 134.72 13.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.406 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -122.59 151.37 41.5 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.558 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.8 t -150.39 134.53 8.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.767 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.6 m -119.53 155.01 32.97 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.986 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 28.7 m . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.585 -179.96 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -171.73 -150.62 7.26 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.069 -0.813 . . . . 0.0 111.069 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 156.19 -53.67 0.42 Allowed Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -166.05 97.69 0.63 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.789 0.328 . . . . 0.0 110.488 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.796 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.5 pp -158.48 152.72 24.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.947 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 72.4 m -138.42 120.86 16.04 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.557 -0.457 . . . . 0.0 111.551 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.517 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 46.4 m-85 -81.72 139.11 35.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.68 179.183 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.514 ' C ' ' HE ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -150.08 110.38 4.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.884 0.373 . . . . 0.0 110.509 -179.82 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.514 ' HE ' ' C ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -149.1 152.95 37.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.291 179.746 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 41.74 -124.75 0.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.773 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -108.88 49.84 0.8 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.624 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -155.51 146.13 22.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.646 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.517 ' SG ' ' O ' ' A' ' 7' ' ' TYR . 2.0 t -156.99 150.35 24.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.27 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.3 p -162.0 150.43 4.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 C-N-CA 120.457 -0.497 . . . . 0.0 111.324 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.404 ' O ' ' O ' ' A' ' 16' ' ' VAL . 51.0 m -116.01 163.02 16.53 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.876 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.404 ' O ' ' O ' ' A' ' 15' ' ' CYS . 15.0 t . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.725 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.706 ' HE ' ' H ' ' A' ' 2' ' ' GLY . 1.7 tmm_? . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.706 ' H ' ' HE ' ' A' ' 1' ' ' ARG . . . -42.5 -72.98 0.25 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -165.27 108.15 0.32 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 21.9 ttm-85 -165.87 109.63 0.81 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.887 0.375 . . . . 0.0 110.615 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 17.7 mt -108.68 92.43 4.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.958 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 98.4 m -95.17 94.94 8.21 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.051 0.453 . . . . 0.0 111.383 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.504 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 50.4 m-85 -72.14 137.53 47.06 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.577 179.093 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.93 111.52 12.14 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.816 0.341 . . . . 0.0 110.654 -179.616 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.5 tpp85 -121.67 123.01 40.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.994 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 56.03 -117.44 1.11 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.546 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.4 mtm180 -109.08 29.33 7.61 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.543 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -133.77 148.7 51.4 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.362 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.504 ' SG ' ' O ' ' A' ' 7' ' ' TYR . 0.4 OUTLIER -146.54 158.84 43.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.602 -179.903 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.8 p -164.02 140.57 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.984 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.2 m -114.81 143.33 45.26 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.996 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 20.0 t . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.511 -179.975 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 57.0 ttp180 . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -77.29 167.58 54.2 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -88.86 -80.21 1.3 Allowed Glycine 0 CA--C 1.527 0.79 0 N-CA-C 110.801 -0.92 . . . . 0.0 110.801 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 27.1 mtp85 -135.33 130.58 35.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.694 0.283 . . . . 0.0 110.308 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.566 HD21 ' CZ ' ' A' ' 7' ' ' TYR . 16.9 tp -141.1 114.19 8.55 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.077 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.5 m -108.35 100.01 9.35 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.328 -179.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.566 ' CZ ' HD21 ' A' ' 5' ' ' LEU . 36.6 m-85 -68.84 131.5 45.23 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 178.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 7.1 m -124.81 130.81 53.11 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.001 0.429 . . . . 0.0 111.082 -179.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.9 mtp180 -143.46 129.2 19.33 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.277 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.5 mmt180 56.09 -114.51 0.85 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.647 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.446 ' HE ' ' N ' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -117.0 35.87 4.45 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.75 -179.866 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.468 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 71.4 m-85 -143.49 158.03 43.97 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.463 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.482 ' O ' HG23 ' A' ' 14' ' ' VAL . 94.6 m -153.76 155.89 36.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.021 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 13' ' ' CYS . 72.6 t -157.14 146.57 10.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.388 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.495 ' SG ' ' C ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -116.95 163.44 16.21 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.168 -179.685 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.457 ' C ' ' O ' ' A' ' 15' ' ' CYS . 9.9 m . . . . . 0 C--O 1.221 -0.402 0 CA-C-O 117.894 -1.05 . . . . 0.0 111.039 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -133.88 72.54 0.47 Allowed Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 42.06 42.92 4.27 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.499 -0.64 . . . . 0.0 111.499 179.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 50.0 mtt-85 -95.58 164.46 12.78 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.38 120.14 13.43 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.829 0.347 . . . . 0.0 110.257 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.1 m -104.97 121.53 43.93 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 121.222 0.534 . . . . 0.0 111.896 -178.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -91.85 142.05 27.99 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.191 179.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.7 m -147.95 120.77 8.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.923 0.392 . . . . 0.0 110.633 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -135.8 122.39 20.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.448 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 46.42 -113.42 0.44 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.477 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.435 ' H ' ' HG2' ' A' ' 11' ' ' ARG . 2.6 ptm180 -100.25 43.31 1.06 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.813 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.421 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 4.8 t80 -141.41 142.89 33.69 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.247 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.421 ' SG ' ' O ' ' A' ' 12' ' ' PHE . 9.1 m -158.86 134.8 8.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.764 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.2 p -166.64 145.61 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.403 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.504 ' O ' ' O ' ' A' ' 16' ' ' VAL . 1.6 t -123.24 152.83 40.92 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.481 -179.183 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.611 ' OXT' HG13 ' A' ' 16' ' ' VAL . 2.5 p . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.988 -1.006 . . . . 0.0 111.45 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 19.1 ttm105 . . . . . 0 N--CA 1.491 1.622 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 54.47 -179.33 0.21 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 179.14 143.14 5.24 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.781 -0.928 . . . . 0.0 110.781 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.457 ' H ' ' HD2' ' A' ' 4' ' ' ARG . 0.0 OUTLIER -99.02 134.93 41.15 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.942 0.401 . . . . 0.0 110.633 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.502 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 1.7 pp -157.55 135.24 10.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.921 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 16.6 m -114.52 109.84 18.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.998 0.428 . . . . 0.0 111.529 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.466 ' CE2' ' CD1' ' A' ' 5' ' ' LEU . 44.8 m-85 -75.44 120.83 21.43 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.977 179.304 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.6 m -115.02 102.28 9.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.065 0.46 . . . . 0.0 110.542 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -113.7 125.74 54.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.193 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.412 ' CG ' HH11 ' A' ' 10' ' ' ARG . 1.7 mmt85 57.95 -117.12 0.95 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.471 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.39 7.12 24.88 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.205 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.577 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -110.46 143.75 40.31 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.318 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 69.3 m -140.38 135.74 32.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.002 0.429 . . . . 0.0 110.851 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 84.1 t -135.26 148.24 28.79 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.953 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' A' ' 5' ' ' LEU . 0.9 OUTLIER -137.69 154.87 49.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.054 0.454 . . . . 0.0 111.278 -179.55 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.9 t . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 117.982 -1.009 . . . . 0.0 110.376 -179.79 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.657 ' H1 ' ' NE ' ' A' ' 1' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 178.69 178.25 47.88 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -158.92 124.42 1.37 Allowed Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 22.2 mmm-85 -127.54 -52.31 1.37 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.801 0.334 . . . . 0.0 110.417 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.497 HD11 ' CZ ' ' A' ' 7' ' ' TYR . 55.4 tp -139.68 92.42 2.56 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 2.4 m -113.25 110.9 21.13 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.042 0.449 . . . . 0.0 111.612 -178.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.497 ' CZ ' HD11 ' A' ' 5' ' ' LEU . 64.4 m-85 -88.25 148.99 24.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.818 179.01 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -149.42 96.88 2.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.088 0.47 . . . . 0.0 111.162 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.7 tpp180 -111.08 65.98 0.62 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.984 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.411 HH11 ' HB3' ' A' ' 10' ' ' ARG . 34.5 mtm105 54.77 -99.49 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.883 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.4 mtp180 -54.27 -33.37 58.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.131 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -104.85 147.02 28.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.973 -179.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.2 t -174.28 124.73 0.32 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.671 179.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.494 HG22 ' N ' ' A' ' 15' ' ' CYS . 8.4 p -175.14 159.9 0.29 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.494 ' N ' HG22 ' A' ' 14' ' ' VAL . 2.0 t -123.95 167.96 13.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.932 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.45 ' C ' ' O ' ' A' ' 15' ' ' CYS . 8.6 p . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.937 -1.03 . . . . 0.0 111.103 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -79.24 51.48 3.91 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 161.26 109.51 0.24 Allowed Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 37.2 ttt180 -152.54 -21.32 0.17 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.813 0.34 . . . . 0.0 110.527 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.535 HD21 ' OH ' ' A' ' 7' ' ' TYR . 13.2 tp -165.36 112.75 0.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.111 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.1 m -110.51 130.83 55.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.125 0.488 . . . . 0.0 111.474 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.535 ' OH ' HD21 ' A' ' 5' ' ' LEU . 88.0 m-85 -94.37 142.11 27.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.187 179.486 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.484 ' SG ' ' O ' ' A' ' 12' ' ' PHE . 4.4 t -128.93 130.35 46.65 Favored 'General case' 0 N--CA 1.461 0.094 0 CA-C-O 121.355 0.597 . . . . 0.0 111.394 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 32.4 mtp180 -131.95 156.99 45.2 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.122 -0.945 . . . . 0.0 109.559 179.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 70.1 mtm-85 44.79 -110.12 0.19 Allowed 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.861 -0.335 . . . . 0.0 110.492 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -127.64 50.15 2.05 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.949 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.484 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 36.0 t80 -172.4 159.08 4.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.544 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.32 167.75 21.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.072 0.463 . . . . 0.0 111.245 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.6 p -145.14 138.27 21.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.391 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 65.5 m -93.19 143.32 26.37 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.913 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.6 p . . . . . 0 C--O 1.219 -0.534 0 CA-C-O 117.92 -1.038 . . . . 0.0 110.481 179.909 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 13.4 tpp180 . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 150.55 -56.67 0.46 Allowed Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -68.68 140.11 34.37 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 -86.85 168.3 13.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.749 0.309 . . . . 0.0 110.452 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.89 118.03 12.62 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.093 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.47 ' SG ' ' N ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER -104.17 113.92 27.81 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.191 0.52 . . . . 0.0 111.378 -179.396 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.504 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 50.7 m-85 -78.14 115.8 18.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.485 178.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 59.3 m -111.41 112.45 24.2 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.077 0.465 . . . . 0.0 110.938 -179.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.37 142.26 50.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.106 179.614 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.0 mtp85 46.59 -126.5 1.5 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.34 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.0 ptp85 -106.15 45.76 0.96 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.581 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -161.97 151.15 15.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.437 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.504 ' SG ' ' O ' ' A' ' 7' ' ' TYR . 8.9 t -146.39 158.84 43.94 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.841 0.353 . . . . 0.0 110.674 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.456 ' C ' ' SG ' ' A' ' 6' ' ' CYS . 7.2 p -146.19 138.04 19.53 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.138 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.986 -179.503 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.47 ' N ' ' SG ' ' A' ' 6' ' ' CYS . 19.4 m -97.86 145.63 26.23 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.899 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.423 ' OXT' ' O ' ' A' ' 15' ' ' CYS . 15.5 t . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.586 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.676 ' HE ' ' N ' ' A' ' 1' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.48 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 95.45 137.77 9.29 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 78.22 -78.47 1.58 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.401 ' HB3' HH11 ' A' ' 4' ' ' ARG . 0.0 OUTLIER -88.03 144.6 26.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.744 0.307 . . . . 0.0 110.608 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -161.11 135.59 7.21 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.481 ' SG ' ' C ' ' A' ' 14' ' ' VAL . 3.7 t -127.27 113.55 16.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.031 0.443 . . . . 0.0 111.246 -179.664 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -74.26 117.17 15.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.642 179.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -129.75 116.28 18.53 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.626 -179.542 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.5 tpp85 -141.61 143.5 33.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.152 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 31.4 mtt180 54.86 -101.2 0.12 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.523 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.0 mtm180 -127.41 -1.19 6.27 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.83 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -97.2 146.31 25.21 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.786 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -145.91 141.3 27.67 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.504 179.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.481 ' C ' ' SG ' ' A' ' 6' ' ' CYS . 57.8 t -147.64 119.55 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-O 120.743 0.306 . . . . 0.0 110.89 -179.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.459 ' N ' ' SG ' ' A' ' 6' ' ' CYS . 71.8 m -99.72 154.37 18.36 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.818 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 14.4 p . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.869 -179.874 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 15.1 ttm180 . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 82.55 -122.75 5.83 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 87.87 31.59 14.8 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.5 mtp85 -83.21 -50.99 7.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 0.0 110.696 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.4 tp -149.06 110.12 4.35 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.589 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 2.8 m -108.92 121.29 44.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.177 0.513 . . . . 0.0 111.858 -179.047 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -85.43 139.54 31.45 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.748 179.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.2 m -126.1 103.98 8.01 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 121.117 0.484 . . . . 0.0 110.988 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 57.9 mtp180 -100.22 86.07 3.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.108 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 64.65 -115.26 0.37 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.899 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 31.4 mtm180 -84.15 -9.85 58.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.998 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -100.63 142.97 31.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 76.6 m -151.83 137.42 17.81 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.813 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.1 t -147.89 152.46 12.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.254 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.589 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 1.7 t -124.07 158.36 32.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.947 0.403 . . . . 0.0 111.353 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.3 t . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 118.112 -0.947 . . . . 0.0 110.399 -179.815 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.475 ' CG ' ' H ' ' A' ' 2' ' ' GLY . 13.3 tpp180 . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.475 ' H ' ' CG ' ' A' ' 1' ' ' ARG . . . -91.2 143.04 16.38 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 175.69 -102.45 0.17 Allowed Glycine 0 CA--C 1.526 0.759 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 65.29 55.79 1.05 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.784 0.326 . . . . 0.0 110.518 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.472 ' C ' ' SG ' ' A' ' 15' ' ' CYS . 1.1 mt -116.37 116.35 27.56 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.09 -0.504 . . . . 0.0 109.844 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.2 m -112.63 103.44 11.49 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.964 0.411 . . . . 0.0 111.26 -179.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -82.88 123.88 29.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.514 178.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.1 t -138.82 119.54 14.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.942 0.401 . . . . 0.0 111.004 -179.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.3 tpp85 -154.27 158.39 40.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.163 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.1 mtp85 47.89 -127.39 1.81 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.251 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.58 37.72 2.98 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.715 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.475 ' C ' ' SG ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -154.87 137.73 15.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.868 0.366 . . . . 0.0 110.457 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.475 ' SG ' ' C ' ' A' ' 12' ' ' PHE . 12.8 m -151.64 165.21 35.04 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.439 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.433 HG22 ' N ' ' A' ' 15' ' ' CYS . 14.5 p -172.65 154.84 0.55 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-O 120.871 0.367 . . . . 0.0 110.812 -179.512 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.472 ' SG ' ' C ' ' A' ' 5' ' ' LEU . 3.3 t -139.14 150.93 46.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.058 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 17.5 m . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.05 -0.976 . . . . 0.0 110.538 179.831 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -80.58 88.36 1.32 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 171.46 -32.83 0.14 Allowed Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -119.7 120.75 37.51 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.801 0.334 . . . . 0.0 110.43 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.15 133.34 47.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.253 -0.43 . . . . 0.0 109.977 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 94.3 m -115.01 101.63 9.19 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-O 120.995 0.426 . . . . 0.0 111.416 -179.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -72.65 140.89 48.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.658 179.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.5 m -130.79 101.74 5.79 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.105 0.479 . . . . 0.0 111.078 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.9 tpp85 -102.24 104.64 15.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.708 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 52.24 -131.22 2.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.25 -179.532 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -81.6 30.96 0.35 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.288 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -140.33 142.85 35.58 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.753 0.311 . . . . 0.0 110.314 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 94.9 m -146.75 159.7 43.16 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-O 120.885 0.374 . . . . 0.0 111.029 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.3 p -173.31 152.46 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.508 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.5 m -124.47 166.11 16.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.3 m . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.098 -0.953 . . . . 0.0 110.505 -179.967 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 28.8 ttp85 . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.02 151.66 49.24 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 163.01 118.56 0.46 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.464 ' CD ' ' N ' ' A' ' 4' ' ' ARG . 0.0 OUTLIER -127.54 177.19 6.93 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.81 0.338 . . . . 0.0 110.375 -179.76 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.805 HD11 ' CD2' ' A' ' 7' ' ' TYR . 1.7 pp -161.13 150.93 17.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.449 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.509 ' N ' HD12 ' A' ' 5' ' ' LEU . 34.0 m -112.1 104.76 13.0 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.805 ' CD2' HD11 ' A' ' 5' ' ' LEU . 40.0 m-85 -68.84 116.9 9.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.248 179.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.9 m -114.67 116.31 28.5 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.883 0.373 . . . . 0.0 110.731 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 57.7 mtp180 -137.5 146.05 43.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.379 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.4 mtt-85 44.9 -119.12 0.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.635 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.8 mtp180 -117.29 48.43 1.34 Allowed 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.847 0.356 . . . . 0.0 110.701 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -160.3 141.33 12.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.147 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 69.6 m -133.66 138.23 45.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.973 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 39.6 t -134.86 142.92 38.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.93 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.514 ' SG ' ' C ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -130.33 147.63 52.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.975 0.417 . . . . 0.0 110.955 -179.47 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.4 m . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.493 -179.994 . . . . . . . . 0 0 . 1 stop_ save_