data_1qvk_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 1qvk _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 30.2 ttt85 . . . . . 0 CA--C 1.539 0.534 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -156.54 -44.5 0.07 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.232 1.013 . . . . 0.0 113.681 -169.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 1.8 m0 -82.16 -143.13 0.05 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.916 1.286 . . . . 0.0 110.633 179.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 22.7 t90 -55.39 -69.17 0.14 Allowed 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 128.652 2.781 . . . . 0.0 113.544 -170.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -131.16 55.22 1.86 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 126.365 1.866 . . . . 0.0 108.108 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 . . . . . 0 CA--C 1.535 0.368 0 C-N-CA 125.236 1.414 . . . . 0.0 110.145 -175.169 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . 0.482 ' HE ' ' HE1' ' A' ' 3' ' ' TRP . 13.6 ttp180 . . . . . 0 CA--C 1.535 0.397 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 41.5 ptt180 -147.28 26.21 1.08 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.928 2.091 . . . . 0.0 111.411 176.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.482 ' HE1' ' HE ' ' A' ' 1' ' ' ARG . 62.9 p-90 -157.15 133.66 9.91 Favored 'General case' 0 C--N 1.344 0.355 0 C-N-CA 125.819 1.647 . . . . 0.0 109.112 -173.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 5.6 t90 49.98 -88.86 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 129.598 3.159 . . . . 0.0 114.527 179.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -125.31 16.09 8.34 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.151 1.78 . . . . 0.0 111.772 -173.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 . . . . . 0 CA--C 1.538 0.517 0 C-N-CA 126.108 1.763 . . . . 0.0 110.596 -175.123 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . 0.651 HH21 ' HE1' ' A' ' 3' ' ' TRP . 12.9 ttp180 . . . . . 0 CA--C 1.53 0.211 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -149.54 31.39 0.73 Allowed 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.913 1.685 . . . . 0.0 110.359 175.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.651 ' HE1' HH21 ' A' ' 1' ' ' ARG . 12.0 m0 -115.93 -151.74 0.49 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.357 1.863 . . . . 0.0 108.532 -172.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 30.1 t90 -56.51 -57.32 12.86 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 127.779 2.432 . . . . 0.0 111.632 178.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -142.4 30.93 1.53 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.728 1.611 . . . . 0.0 110.879 -175.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 . . . . . 0 CA--C 1.537 0.462 0 C-N-CA 124.918 1.287 . . . . 0.0 110.619 -174.989 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 72.8 mtp85 . . . . . 0 CA--C 1.536 0.406 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -150.85 -33.24 0.16 Allowed 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 115.824 1.787 . . . . 0.0 115.824 -179.431 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 2.9 m0 -77.62 -141.62 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.915 1.286 . . . . 0.0 110.557 178.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -52.91 -67.4 0.25 Allowed 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 127.816 2.447 . . . . 0.0 112.615 -169.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -127.45 14.35 7.11 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.038 1.735 . . . . 0.0 111.83 -178.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 . . . . . 0 CA--C 1.537 0.453 0 C-N-CA 126.86 2.064 . . . . 0.0 110.71 -170.667 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . 0.416 ' HA ' ' HE ' ' A' ' 1' ' ' ARG . 3.2 tpm_? . . . . . 0 CA--C 1.535 0.385 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.429 ' H ' ' HD2' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -98.17 4.93 48.97 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.808 1.243 . . . . 0.0 114.154 -170.351 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -134.71 -171.34 2.76 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.185 1.394 . . . . 0.0 109.841 175.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 12.5 t90 -19.45 -72.32 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.333 1 C-N-CA 133.791 4.837 . . . . 0.0 115.232 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -132.37 40.86 3.27 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.816 2.047 . . . . 0.0 108.798 -174.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 . . . . . 0 CA--C 1.536 0.41 0 C-N-CA 127.026 2.13 . . . . 0.0 108.776 -173.067 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.537 0.459 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -96.72 0.22 49.25 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.591 1.557 . . . . 0.0 114.232 -173.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 2.8 m0 -121.92 -146.12 0.36 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.64 1.176 . . . . 0.0 110.508 -177.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 26.1 t90 -50.98 -85.2 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 129.512 3.125 . . . . 0.0 112.528 -171.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 87.4 mtt-85 -101.89 -1.08 32.89 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.075 1.75 . . . . 0.0 111.714 174.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 . . . . . 0 CA--C 1.533 0.325 0 C-N-CA 127.058 2.143 . . . . 0.0 110.404 -177.018 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.407 0 CA-C-O 119.102 -0.475 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -102.69 0.45 33.08 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 -169.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 2.0 m-90 -122.41 -148.45 0.4 Allowed 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.109 1.364 . . . . 0.0 110.746 -176.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 25.2 t90 -51.53 -69.88 0.1 Allowed 'General case' 0 C--N 1.344 0.364 0 C-N-CA 130.295 3.438 . . . . 0.0 113.063 -170.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -133.74 44.72 2.73 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.528 1.931 . . . . 0.0 108.272 -175.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 . . . . . 0 CA--C 1.534 0.332 0 C-N-CA 127.127 2.171 . . . . 0.0 109.201 -175.304 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 . . . . . 0 N--CA 1.451 -0.421 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -151.92 38.33 0.59 Allowed 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 127.041 2.137 . . . . 0.0 108.667 168.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 67.1 p-90 -144.31 129.26 18.46 Favored 'General case' 0 C--N 1.346 0.42 0 C-N-CA 127.277 2.231 . . . . 0.0 108.231 174.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 14.1 t90 53.93 -87.51 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 128.858 2.863 . . . . 0.0 114.004 176.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -129.77 17.08 5.78 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 126.671 1.989 . . . . 0.0 111.602 -173.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 . . . . . 0 CA--C 1.533 0.309 0 C-N-CA 126.387 1.875 . . . . 0.0 109.032 -173.167 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 23.7 ttp85 . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 113.237 0.828 . . . . 0.0 113.237 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 18.5 ptp180 -93.43 -6.78 46.25 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.584 1.154 . . . . 0.0 113.905 -169.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -156.32 149.63 24.46 Favored 'General case' 0 C--N 1.345 0.397 0 C-N-CA 124.865 1.266 . . . . 0.0 110.054 169.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 6.8 t90 46.02 -121.05 1.01 Allowed 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 129.722 3.209 . . . . 0.0 112.977 171.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 76.8 mtt-85 -75.72 6.72 4.55 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.302 1.841 . . . . 0.0 113.583 -175.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 . . . . . 0 CA--C 1.532 0.276 0 C-N-CA 125.512 1.525 . . . . 0.0 110.507 -177.983 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? . . . . . 0 CA--C 1.533 0.325 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -151.47 -28.14 0.19 Allowed 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 115.928 1.825 . . . . 0.0 115.928 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 7.3 m0 -73.99 -139.77 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.38 1.872 . . . . 0.0 111.426 175.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 20.4 t90 -44.39 -69.87 0.12 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 128.203 2.601 . . . . 0.0 114.598 -169.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -141.05 29.13 1.86 Allowed 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.442 1.497 . . . . 0.0 110.856 -173.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 . . . . . 0 CA--C 1.539 0.534 0 C-N-CA 124.652 1.181 . . . . 0.0 110.489 -171.092 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 30.2 ttt85 . . . . . 0 CA--C 1.539 0.534 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -156.54 -44.5 0.07 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.232 1.013 . . . . 0.0 113.681 -169.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 1.8 m0 -82.16 -143.13 0.05 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.916 1.286 . . . . 0.0 110.633 179.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 22.7 t90 -55.39 -69.17 0.14 Allowed 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 128.652 2.781 . . . . 0.0 113.544 -170.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -131.16 55.22 1.86 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 126.365 1.866 . . . . 0.0 108.108 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 . . . . . 0 CA--C 1.535 0.368 0 C-N-CA 125.236 1.414 . . . . 0.0 110.145 -175.169 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.482 ' HE ' ' HE1' ' A' ' 3' ' ' TRP . 13.6 ttp180 . . . . . 0 CA--C 1.535 0.397 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 41.5 ptt180 -147.28 26.21 1.08 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.928 2.091 . . . . 0.0 111.411 176.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.482 ' HE1' ' HE ' ' A' ' 1' ' ' ARG . 62.9 p-90 -157.15 133.66 9.91 Favored 'General case' 0 C--N 1.344 0.355 0 C-N-CA 125.819 1.647 . . . . 0.0 109.112 -173.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 5.6 t90 49.98 -88.86 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 129.598 3.159 . . . . 0.0 114.527 179.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -125.31 16.09 8.34 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.151 1.78 . . . . 0.0 111.772 -173.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 . . . . . 0 CA--C 1.538 0.517 0 C-N-CA 126.108 1.763 . . . . 0.0 110.596 -175.123 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.651 HH21 ' HE1' ' A' ' 3' ' ' TRP . 12.9 ttp180 . . . . . 0 CA--C 1.53 0.211 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -149.54 31.39 0.73 Allowed 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.913 1.685 . . . . 0.0 110.359 175.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.651 ' HE1' HH21 ' A' ' 1' ' ' ARG . 12.0 m0 -115.93 -151.74 0.49 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.357 1.863 . . . . 0.0 108.532 -172.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 30.1 t90 -56.51 -57.32 12.86 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 127.779 2.432 . . . . 0.0 111.632 178.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -142.4 30.93 1.53 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.728 1.611 . . . . 0.0 110.879 -175.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 . . . . . 0 CA--C 1.537 0.462 0 C-N-CA 124.918 1.287 . . . . 0.0 110.619 -174.989 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 72.8 mtp85 . . . . . 0 CA--C 1.536 0.406 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -150.85 -33.24 0.16 Allowed 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 115.824 1.787 . . . . 0.0 115.824 -179.431 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 2.9 m0 -77.62 -141.62 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.915 1.286 . . . . 0.0 110.557 178.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -52.91 -67.4 0.25 Allowed 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 127.816 2.447 . . . . 0.0 112.615 -169.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -127.45 14.35 7.11 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.038 1.735 . . . . 0.0 111.83 -178.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 . . . . . 0 CA--C 1.537 0.453 0 C-N-CA 126.86 2.064 . . . . 0.0 110.71 -170.667 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.416 ' HA ' ' HE ' ' A' ' 1' ' ' ARG . 3.2 tpm_? . . . . . 0 CA--C 1.535 0.385 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.429 ' H ' ' HD2' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -98.17 4.93 48.97 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.808 1.243 . . . . 0.0 114.154 -170.351 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -134.71 -171.34 2.76 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.185 1.394 . . . . 0.0 109.841 175.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 12.5 t90 -19.45 -72.32 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.333 1 C-N-CA 133.791 4.837 . . . . 0.0 115.232 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -132.37 40.86 3.27 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.816 2.047 . . . . 0.0 108.798 -174.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 . . . . . 0 CA--C 1.536 0.41 0 C-N-CA 127.026 2.13 . . . . 0.0 108.776 -173.067 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.537 0.459 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -96.72 0.22 49.25 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.591 1.557 . . . . 0.0 114.232 -173.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 2.8 m0 -121.92 -146.12 0.36 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.64 1.176 . . . . 0.0 110.508 -177.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 26.1 t90 -50.98 -85.2 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 129.512 3.125 . . . . 0.0 112.528 -171.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 87.4 mtt-85 -101.89 -1.08 32.89 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.075 1.75 . . . . 0.0 111.714 174.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 . . . . . 0 CA--C 1.533 0.325 0 C-N-CA 127.058 2.143 . . . . 0.0 110.404 -177.018 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.407 0 CA-C-O 119.102 -0.475 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -102.69 0.45 33.08 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 -169.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 2.0 m-90 -122.41 -148.45 0.4 Allowed 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.109 1.364 . . . . 0.0 110.746 -176.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 25.2 t90 -51.53 -69.88 0.1 Allowed 'General case' 0 C--N 1.344 0.364 0 C-N-CA 130.295 3.438 . . . . 0.0 113.063 -170.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -133.74 44.72 2.73 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.528 1.931 . . . . 0.0 108.272 -175.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 . . . . . 0 CA--C 1.534 0.332 0 C-N-CA 127.127 2.171 . . . . 0.0 109.201 -175.304 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 . . . . . 0 N--CA 1.451 -0.421 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -151.92 38.33 0.59 Allowed 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 127.041 2.137 . . . . 0.0 108.667 168.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 67.1 p-90 -144.31 129.26 18.46 Favored 'General case' 0 C--N 1.346 0.42 0 C-N-CA 127.277 2.231 . . . . 0.0 108.231 174.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 14.1 t90 53.93 -87.51 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 128.858 2.863 . . . . 0.0 114.004 176.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -129.77 17.08 5.78 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 126.671 1.989 . . . . 0.0 111.602 -173.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 . . . . . 0 CA--C 1.533 0.309 0 C-N-CA 126.387 1.875 . . . . 0.0 109.032 -173.167 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 23.7 ttp85 . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 113.237 0.828 . . . . 0.0 113.237 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 18.5 ptp180 -93.43 -6.78 46.25 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.584 1.154 . . . . 0.0 113.905 -169.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -156.32 149.63 24.46 Favored 'General case' 0 C--N 1.345 0.397 0 C-N-CA 124.865 1.266 . . . . 0.0 110.054 169.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 6.8 t90 46.02 -121.05 1.01 Allowed 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 129.722 3.209 . . . . 0.0 112.977 171.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 76.8 mtt-85 -75.72 6.72 4.55 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.302 1.841 . . . . 0.0 113.583 -175.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 . . . . . 0 CA--C 1.532 0.276 0 C-N-CA 125.512 1.525 . . . . 0.0 110.507 -177.983 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? . . . . . 0 CA--C 1.533 0.325 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -151.47 -28.14 0.19 Allowed 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 115.928 1.825 . . . . 0.0 115.928 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 7.3 m0 -73.99 -139.77 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.38 1.872 . . . . 0.0 111.426 175.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 20.4 t90 -44.39 -69.87 0.12 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 128.203 2.601 . . . . 0.0 114.598 -169.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -141.05 29.13 1.86 Allowed 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.442 1.497 . . . . 0.0 110.856 -173.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 . . . . . 0 CA--C 1.539 0.534 0 C-N-CA 124.652 1.181 . . . . 0.0 110.489 -171.092 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 30.2 ttt85 . . . . . 0 CA--C 1.539 0.534 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -156.54 -44.5 0.07 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.232 1.013 . . . . 0.0 113.681 -169.02 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 1.8 m0 -82.16 -143.13 0.05 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.916 1.286 . . . . 0.0 110.633 179.072 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 22.7 t90 -55.39 -69.17 0.14 Allowed 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 128.652 2.781 . . . . 0.0 113.544 -170.536 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -131.16 55.22 1.86 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 126.365 1.866 . . . . 0.0 108.108 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 . . . . . 0 CA--C 1.535 0.368 0 C-N-CA 125.236 1.414 . . . . 0.0 110.145 -175.169 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' ARG . . . . . 0.477 ' HE ' ' HE1' ' A' ' 3' ' ' TRP . 13.6 ttp180 . . . . . 0 CA--C 1.535 0.397 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 41.5 ptt180 -147.28 26.21 1.08 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.928 2.091 . . . . 0.0 111.411 176.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.477 ' HE1' ' HE ' ' A' ' 1' ' ' ARG . 62.9 p-90 -157.15 133.66 9.91 Favored 'General case' 0 C--N 1.344 0.355 0 C-N-CA 125.819 1.647 . . . . 0.0 109.112 -173.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 5.6 t90 49.98 -88.86 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 129.598 3.159 . . . . 0.0 114.527 179.142 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -125.31 16.09 8.34 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.151 1.78 . . . . 0.0 111.772 -173.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 . . . . . 0 CA--C 1.538 0.517 0 C-N-CA 126.108 1.763 . . . . 0.0 110.596 -175.123 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' ARG . . . . . 0.692 HH21 ' HE1' ' A' ' 3' ' ' TRP . 12.9 ttp180 . . . . . 0 CA--C 1.53 0.211 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -149.54 31.39 0.73 Allowed 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.913 1.685 . . . . 0.0 110.359 175.661 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.692 ' HE1' HH21 ' A' ' 1' ' ' ARG . 12.0 m0 -115.93 -151.74 0.49 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.357 1.863 . . . . 0.0 108.532 -172.72 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 30.1 t90 -56.51 -57.32 12.86 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 127.779 2.432 . . . . 0.0 111.632 178.346 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -142.4 30.93 1.53 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.728 1.611 . . . . 0.0 110.879 -175.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 . . . . . 0 CA--C 1.537 0.462 0 C-N-CA 124.918 1.287 . . . . 0.0 110.619 -174.989 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 72.8 mtp85 . . . . . 0 CA--C 1.536 0.406 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -150.85 -33.24 0.16 Allowed 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 115.824 1.787 . . . . 0.0 115.824 -179.431 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 2.9 m0 -77.62 -141.62 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.915 1.286 . . . . 0.0 110.557 178.115 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -52.91 -67.4 0.25 Allowed 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 127.816 2.447 . . . . 0.0 112.615 -169.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -127.45 14.35 7.11 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.038 1.735 . . . . 0.0 111.83 -178.064 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 . . . . . 0 CA--C 1.537 0.453 0 C-N-CA 126.86 2.064 . . . . 0.0 110.71 -170.667 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' ARG . . . . . 0.474 ' HA ' ' HE ' ' A' ' 1' ' ' ARG . 3.2 tpm_? . . . . . 0 CA--C 1.535 0.385 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.553 ' H ' ' HD2' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -98.17 4.93 48.97 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.808 1.243 . . . . 0.0 114.154 -170.351 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -134.71 -171.34 2.76 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.185 1.394 . . . . 0.0 109.841 175.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 12.5 t90 -19.45 -72.32 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.333 1 C-N-CA 133.791 4.837 . . . . 0.0 115.232 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -132.37 40.86 3.27 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.816 2.047 . . . . 0.0 108.798 -174.257 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 . . . . . 0 CA--C 1.536 0.41 0 C-N-CA 127.026 2.13 . . . . 0.0 108.776 -173.067 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.537 0.459 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -96.72 0.22 49.25 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.591 1.557 . . . . 0.0 114.232 -173.263 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 2.8 m0 -121.92 -146.12 0.36 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.64 1.176 . . . . 0.0 110.508 -177.679 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 26.1 t90 -50.98 -85.2 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 129.512 3.125 . . . . 0.0 112.528 -171.167 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 87.4 mtt-85 -101.89 -1.08 32.89 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.075 1.75 . . . . 0.0 111.714 174.198 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 . . . . . 0 CA--C 1.533 0.325 0 C-N-CA 127.058 2.143 . . . . 0.0 110.404 -177.018 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.407 0 CA-C-O 119.102 -0.475 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -102.69 0.45 33.08 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 -169.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 2.0 m-90 -122.41 -148.45 0.4 Allowed 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.109 1.364 . . . . 0.0 110.746 -176.362 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 25.2 t90 -51.53 -69.88 0.1 Allowed 'General case' 0 C--N 1.344 0.364 0 C-N-CA 130.295 3.438 . . . . 0.0 113.063 -170.139 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -133.74 44.72 2.73 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.528 1.931 . . . . 0.0 108.272 -175.393 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 . . . . . 0 CA--C 1.534 0.332 0 C-N-CA 127.127 2.171 . . . . 0.0 109.201 -175.304 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 . . . . . 0 N--CA 1.451 -0.421 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -151.92 38.33 0.59 Allowed 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 127.041 2.137 . . . . 0.0 108.667 168.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 67.1 p-90 -144.31 129.26 18.46 Favored 'General case' 0 C--N 1.346 0.42 0 C-N-CA 127.277 2.231 . . . . 0.0 108.231 174.608 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 14.1 t90 53.93 -87.51 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 128.858 2.863 . . . . 0.0 114.004 176.706 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -129.77 17.08 5.78 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 126.671 1.989 . . . . 0.0 111.602 -173.265 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 . . . . . 0 CA--C 1.533 0.309 0 C-N-CA 126.387 1.875 . . . . 0.0 109.032 -173.167 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 23.7 ttp85 . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 113.237 0.828 . . . . 0.0 113.237 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 18.5 ptp180 -93.43 -6.78 46.25 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.584 1.154 . . . . 0.0 113.905 -169.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -156.32 149.63 24.46 Favored 'General case' 0 C--N 1.345 0.397 0 C-N-CA 124.865 1.266 . . . . 0.0 110.054 169.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 6.8 t90 46.02 -121.05 1.01 Allowed 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 129.722 3.209 . . . . 0.0 112.977 171.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 76.8 mtt-85 -75.72 6.72 4.55 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.302 1.841 . . . . 0.0 113.583 -175.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 . . . . . 0 CA--C 1.532 0.276 0 C-N-CA 125.512 1.525 . . . . 0.0 110.507 -177.983 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? . . . . . 0 CA--C 1.533 0.325 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -151.47 -28.14 0.19 Allowed 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 115.928 1.825 . . . . 0.0 115.928 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 7.3 m0 -73.99 -139.77 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.38 1.872 . . . . 0.0 111.426 175.681 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 20.4 t90 -44.39 -69.87 0.12 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 128.203 2.601 . . . . 0.0 114.598 -169.46 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -141.05 29.13 1.86 Allowed 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.442 1.497 . . . . 0.0 110.856 -173.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 . . . . . 0 CA--C 1.539 0.534 0 C-N-CA 124.652 1.181 . . . . 0.0 110.489 -171.092 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 30.2 ttt85 . . . . . 0 CA--C 1.539 0.534 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -156.54 -44.5 0.07 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.232 1.013 . . . . 0.0 113.681 -169.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 1.8 m0 -82.16 -143.13 0.05 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.916 1.286 . . . . 0.0 110.633 179.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 22.7 t90 -55.39 -69.17 0.14 Allowed 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 128.652 2.781 . . . . 0.0 113.544 -170.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -131.16 55.22 1.86 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 126.365 1.866 . . . . 0.0 108.108 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 . . . . . 0 CA--C 1.535 0.368 0 C-N-CA 125.236 1.414 . . . . 0.0 110.145 -175.169 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.477 ' HE ' ' HE1' ' A' ' 3' ' ' TRP . 13.6 ttp180 . . . . . 0 CA--C 1.535 0.397 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 41.5 ptt180 -147.28 26.21 1.08 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.928 2.091 . . . . 0.0 111.411 176.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.477 ' HE1' ' HE ' ' A' ' 1' ' ' ARG . 62.9 p-90 -157.15 133.66 9.91 Favored 'General case' 0 C--N 1.344 0.355 0 C-N-CA 125.819 1.647 . . . . 0.0 109.112 -173.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 5.6 t90 49.98 -88.86 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 129.598 3.159 . . . . 0.0 114.527 179.142 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -125.31 16.09 8.34 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.151 1.78 . . . . 0.0 111.772 -173.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 . . . . . 0 CA--C 1.538 0.517 0 C-N-CA 126.108 1.763 . . . . 0.0 110.596 -175.123 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.692 HH21 ' HE1' ' A' ' 3' ' ' TRP . 12.9 ttp180 . . . . . 0 CA--C 1.53 0.211 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -149.54 31.39 0.73 Allowed 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.913 1.685 . . . . 0.0 110.359 175.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.692 ' HE1' HH21 ' A' ' 1' ' ' ARG . 12.0 m0 -115.93 -151.74 0.49 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.357 1.863 . . . . 0.0 108.532 -172.72 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 30.1 t90 -56.51 -57.32 12.86 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 127.779 2.432 . . . . 0.0 111.632 178.346 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -142.4 30.93 1.53 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.728 1.611 . . . . 0.0 110.879 -175.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 . . . . . 0 CA--C 1.537 0.462 0 C-N-CA 124.918 1.287 . . . . 0.0 110.619 -174.989 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 72.8 mtp85 . . . . . 0 CA--C 1.536 0.406 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -150.85 -33.24 0.16 Allowed 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 115.824 1.787 . . . . 0.0 115.824 -179.431 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 2.9 m0 -77.62 -141.62 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.915 1.286 . . . . 0.0 110.557 178.115 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -52.91 -67.4 0.25 Allowed 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 127.816 2.447 . . . . 0.0 112.615 -169.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -127.45 14.35 7.11 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.038 1.735 . . . . 0.0 111.83 -178.064 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 . . . . . 0 CA--C 1.537 0.453 0 C-N-CA 126.86 2.064 . . . . 0.0 110.71 -170.667 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.474 ' HA ' ' HE ' ' A' ' 1' ' ' ARG . 3.2 tpm_? . . . . . 0 CA--C 1.535 0.385 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.553 ' H ' ' HD2' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -98.17 4.93 48.97 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.808 1.243 . . . . 0.0 114.154 -170.351 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -134.71 -171.34 2.76 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.185 1.394 . . . . 0.0 109.841 175.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 12.5 t90 -19.45 -72.32 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.333 1 C-N-CA 133.791 4.837 . . . . 0.0 115.232 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -132.37 40.86 3.27 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.816 2.047 . . . . 0.0 108.798 -174.257 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 . . . . . 0 CA--C 1.536 0.41 0 C-N-CA 127.026 2.13 . . . . 0.0 108.776 -173.067 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.537 0.459 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -96.72 0.22 49.25 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.591 1.557 . . . . 0.0 114.232 -173.263 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 2.8 m0 -121.92 -146.12 0.36 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.64 1.176 . . . . 0.0 110.508 -177.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 26.1 t90 -50.98 -85.2 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 129.512 3.125 . . . . 0.0 112.528 -171.167 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 87.4 mtt-85 -101.89 -1.08 32.89 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.075 1.75 . . . . 0.0 111.714 174.198 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 . . . . . 0 CA--C 1.533 0.325 0 C-N-CA 127.058 2.143 . . . . 0.0 110.404 -177.018 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.407 0 CA-C-O 119.102 -0.475 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -102.69 0.45 33.08 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 -169.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 2.0 m-90 -122.41 -148.45 0.4 Allowed 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.109 1.364 . . . . 0.0 110.746 -176.362 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 25.2 t90 -51.53 -69.88 0.1 Allowed 'General case' 0 C--N 1.344 0.364 0 C-N-CA 130.295 3.438 . . . . 0.0 113.063 -170.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -133.74 44.72 2.73 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.528 1.931 . . . . 0.0 108.272 -175.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 . . . . . 0 CA--C 1.534 0.332 0 C-N-CA 127.127 2.171 . . . . 0.0 109.201 -175.304 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 . . . . . 0 N--CA 1.451 -0.421 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -151.92 38.33 0.59 Allowed 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 127.041 2.137 . . . . 0.0 108.667 168.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 67.1 p-90 -144.31 129.26 18.46 Favored 'General case' 0 C--N 1.346 0.42 0 C-N-CA 127.277 2.231 . . . . 0.0 108.231 174.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 14.1 t90 53.93 -87.51 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 128.858 2.863 . . . . 0.0 114.004 176.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -129.77 17.08 5.78 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 126.671 1.989 . . . . 0.0 111.602 -173.265 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 . . . . . 0 CA--C 1.533 0.309 0 C-N-CA 126.387 1.875 . . . . 0.0 109.032 -173.167 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 23.7 ttp85 . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 113.237 0.828 . . . . 0.0 113.237 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 18.5 ptp180 -93.43 -6.78 46.25 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.584 1.154 . . . . 0.0 113.905 -169.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -156.32 149.63 24.46 Favored 'General case' 0 C--N 1.345 0.397 0 C-N-CA 124.865 1.266 . . . . 0.0 110.054 169.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 6.8 t90 46.02 -121.05 1.01 Allowed 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 129.722 3.209 . . . . 0.0 112.977 171.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 76.8 mtt-85 -75.72 6.72 4.55 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.302 1.841 . . . . 0.0 113.583 -175.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 . . . . . 0 CA--C 1.532 0.276 0 C-N-CA 125.512 1.525 . . . . 0.0 110.507 -177.983 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? . . . . . 0 CA--C 1.533 0.325 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -151.47 -28.14 0.19 Allowed 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 115.928 1.825 . . . . 0.0 115.928 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 7.3 m0 -73.99 -139.77 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.38 1.872 . . . . 0.0 111.426 175.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 20.4 t90 -44.39 -69.87 0.12 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 128.203 2.601 . . . . 0.0 114.598 -169.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -141.05 29.13 1.86 Allowed 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.442 1.497 . . . . 0.0 110.856 -173.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 . . . . . 0 CA--C 1.539 0.534 0 C-N-CA 124.652 1.181 . . . . 0.0 110.489 -171.092 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 30.2 ttt85 . . . . . 0 CA--C 1.539 0.534 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -156.54 -44.5 0.07 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.232 1.013 . . . . 0.0 113.681 -169.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 1.8 m0 -82.16 -143.13 0.05 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.916 1.286 . . . . 0.0 110.633 179.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 22.7 t90 -55.39 -69.17 0.14 Allowed 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 128.652 2.781 . . . . 0.0 113.544 -170.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -131.16 55.22 1.86 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 126.365 1.866 . . . . 0.0 108.108 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 . . . . . 0 CA--C 1.535 0.368 0 C-N-CA 125.236 1.414 . . . . 0.0 110.145 -175.169 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . 0.477 ' HE ' ' HE1' ' A' ' 3' ' ' TRP . 13.6 ttp180 . . . . . 0 CA--C 1.535 0.397 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 41.5 ptt180 -147.28 26.21 1.08 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.928 2.091 . . . . 0.0 111.411 176.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.477 ' HE1' ' HE ' ' A' ' 1' ' ' ARG . 62.9 p-90 -157.15 133.66 9.91 Favored 'General case' 0 C--N 1.344 0.355 0 C-N-CA 125.819 1.647 . . . . 0.0 109.112 -173.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 5.6 t90 49.98 -88.86 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 129.598 3.159 . . . . 0.0 114.527 179.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -125.31 16.09 8.34 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.151 1.78 . . . . 0.0 111.772 -173.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 . . . . . 0 CA--C 1.538 0.517 0 C-N-CA 126.108 1.763 . . . . 0.0 110.596 -175.123 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . 0.692 HH21 ' HE1' ' A' ' 3' ' ' TRP . 12.9 ttp180 . . . . . 0 CA--C 1.53 0.211 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -149.54 31.39 0.73 Allowed 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.913 1.685 . . . . 0.0 110.359 175.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.692 ' HE1' HH21 ' A' ' 1' ' ' ARG . 12.0 m0 -115.93 -151.74 0.49 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.357 1.863 . . . . 0.0 108.532 -172.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 30.1 t90 -56.51 -57.32 12.86 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 127.779 2.432 . . . . 0.0 111.632 178.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -142.4 30.93 1.53 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.728 1.611 . . . . 0.0 110.879 -175.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 . . . . . 0 CA--C 1.537 0.462 0 C-N-CA 124.918 1.287 . . . . 0.0 110.619 -174.989 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 72.8 mtp85 . . . . . 0 CA--C 1.536 0.406 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -150.85 -33.24 0.16 Allowed 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 115.824 1.787 . . . . 0.0 115.824 -179.431 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 2.9 m0 -77.62 -141.62 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.915 1.286 . . . . 0.0 110.557 178.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -52.91 -67.4 0.25 Allowed 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 127.816 2.447 . . . . 0.0 112.615 -169.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -127.45 14.35 7.11 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.038 1.735 . . . . 0.0 111.83 -178.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 . . . . . 0 CA--C 1.537 0.453 0 C-N-CA 126.86 2.064 . . . . 0.0 110.71 -170.667 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . 0.474 ' HA ' ' HE ' ' A' ' 1' ' ' ARG . 3.2 tpm_? . . . . . 0 CA--C 1.535 0.385 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.553 ' H ' ' HD2' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -98.17 4.93 48.97 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.808 1.243 . . . . 0.0 114.154 -170.351 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -134.71 -171.34 2.76 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.185 1.394 . . . . 0.0 109.841 175.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 12.5 t90 -19.45 -72.32 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.333 1 C-N-CA 133.791 4.837 . . . . 0.0 115.232 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -132.37 40.86 3.27 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.816 2.047 . . . . 0.0 108.798 -174.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 . . . . . 0 CA--C 1.536 0.41 0 C-N-CA 127.026 2.13 . . . . 0.0 108.776 -173.067 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.537 0.459 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -96.72 0.22 49.25 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.591 1.557 . . . . 0.0 114.232 -173.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 2.8 m0 -121.92 -146.12 0.36 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.64 1.176 . . . . 0.0 110.508 -177.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 26.1 t90 -50.98 -85.2 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 129.512 3.125 . . . . 0.0 112.528 -171.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 87.4 mtt-85 -101.89 -1.08 32.89 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.075 1.75 . . . . 0.0 111.714 174.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 . . . . . 0 CA--C 1.533 0.325 0 C-N-CA 127.058 2.143 . . . . 0.0 110.404 -177.018 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.407 0 CA-C-O 119.102 -0.475 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -102.69 0.45 33.08 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 -169.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 2.0 m-90 -122.41 -148.45 0.4 Allowed 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.109 1.364 . . . . 0.0 110.746 -176.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 25.2 t90 -51.53 -69.88 0.1 Allowed 'General case' 0 C--N 1.344 0.364 0 C-N-CA 130.295 3.438 . . . . 0.0 113.063 -170.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -133.74 44.72 2.73 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.528 1.931 . . . . 0.0 108.272 -175.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 . . . . . 0 CA--C 1.534 0.332 0 C-N-CA 127.127 2.171 . . . . 0.0 109.201 -175.304 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 . . . . . 0 N--CA 1.451 -0.421 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -151.92 38.33 0.59 Allowed 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 127.041 2.137 . . . . 0.0 108.667 168.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 67.1 p-90 -144.31 129.26 18.46 Favored 'General case' 0 C--N 1.346 0.42 0 C-N-CA 127.277 2.231 . . . . 0.0 108.231 174.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 14.1 t90 53.93 -87.51 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 128.858 2.863 . . . . 0.0 114.004 176.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -129.77 17.08 5.78 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 126.671 1.989 . . . . 0.0 111.602 -173.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 . . . . . 0 CA--C 1.533 0.309 0 C-N-CA 126.387 1.875 . . . . 0.0 109.032 -173.167 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 23.7 ttp85 . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 113.237 0.828 . . . . 0.0 113.237 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 18.5 ptp180 -93.43 -6.78 46.25 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.584 1.154 . . . . 0.0 113.905 -169.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -156.32 149.63 24.46 Favored 'General case' 0 C--N 1.345 0.397 0 C-N-CA 124.865 1.266 . . . . 0.0 110.054 169.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 6.8 t90 46.02 -121.05 1.01 Allowed 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 129.722 3.209 . . . . 0.0 112.977 171.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 76.8 mtt-85 -75.72 6.72 4.55 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.302 1.841 . . . . 0.0 113.583 -175.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 . . . . . 0 CA--C 1.532 0.276 0 C-N-CA 125.512 1.525 . . . . 0.0 110.507 -177.983 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? . . . . . 0 CA--C 1.533 0.325 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -151.47 -28.14 0.19 Allowed 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 115.928 1.825 . . . . 0.0 115.928 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 7.3 m0 -73.99 -139.77 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.38 1.872 . . . . 0.0 111.426 175.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 20.4 t90 -44.39 -69.87 0.12 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 128.203 2.601 . . . . 0.0 114.598 -169.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -141.05 29.13 1.86 Allowed 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.442 1.497 . . . . 0.0 110.856 -173.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 . . . . . 0 CA--C 1.539 0.534 0 C-N-CA 124.652 1.181 . . . . 0.0 110.489 -171.092 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 30.2 ttt85 . . . . . 0 CA--C 1.539 0.534 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -156.54 -44.5 0.07 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.232 1.013 . . . . 0.0 113.681 -169.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 1.8 m0 -82.16 -143.13 0.05 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.916 1.286 . . . . 0.0 110.633 179.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 22.7 t90 -55.39 -69.17 0.14 Allowed 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 128.652 2.781 . . . . 0.0 113.544 -170.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -131.16 55.22 1.86 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 126.365 1.866 . . . . 0.0 108.108 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 . . . . . 0 CA--C 1.535 0.368 0 C-N-CA 125.236 1.414 . . . . 0.0 110.145 -175.169 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.477 ' HE ' ' HE1' ' A' ' 3' ' ' TRP . 13.6 ttp180 . . . . . 0 CA--C 1.535 0.397 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 41.5 ptt180 -147.28 26.21 1.08 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.928 2.091 . . . . 0.0 111.411 176.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.477 ' HE1' ' HE ' ' A' ' 1' ' ' ARG . 62.9 p-90 -157.15 133.66 9.91 Favored 'General case' 0 C--N 1.344 0.355 0 C-N-CA 125.819 1.647 . . . . 0.0 109.112 -173.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 5.6 t90 49.98 -88.86 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 129.598 3.159 . . . . 0.0 114.527 179.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -125.31 16.09 8.34 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.151 1.78 . . . . 0.0 111.772 -173.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 . . . . . 0 CA--C 1.538 0.517 0 C-N-CA 126.108 1.763 . . . . 0.0 110.596 -175.123 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.692 HH21 ' HE1' ' A' ' 3' ' ' TRP . 12.9 ttp180 . . . . . 0 CA--C 1.53 0.211 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -149.54 31.39 0.73 Allowed 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.913 1.685 . . . . 0.0 110.359 175.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.692 ' HE1' HH21 ' A' ' 1' ' ' ARG . 12.0 m0 -115.93 -151.74 0.49 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.357 1.863 . . . . 0.0 108.532 -172.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 30.1 t90 -56.51 -57.32 12.86 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 127.779 2.432 . . . . 0.0 111.632 178.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -142.4 30.93 1.53 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.728 1.611 . . . . 0.0 110.879 -175.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 . . . . . 0 CA--C 1.537 0.462 0 C-N-CA 124.918 1.287 . . . . 0.0 110.619 -174.989 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 72.8 mtp85 . . . . . 0 CA--C 1.536 0.406 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -150.85 -33.24 0.16 Allowed 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 115.824 1.787 . . . . 0.0 115.824 -179.431 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 2.9 m0 -77.62 -141.62 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.915 1.286 . . . . 0.0 110.557 178.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -52.91 -67.4 0.25 Allowed 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 127.816 2.447 . . . . 0.0 112.615 -169.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -127.45 14.35 7.11 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.038 1.735 . . . . 0.0 111.83 -178.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 . . . . . 0 CA--C 1.537 0.453 0 C-N-CA 126.86 2.064 . . . . 0.0 110.71 -170.667 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.474 ' HA ' ' HE ' ' A' ' 1' ' ' ARG . 3.2 tpm_? . . . . . 0 CA--C 1.535 0.385 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.553 ' H ' ' HD2' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -98.17 4.93 48.97 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.808 1.243 . . . . 0.0 114.154 -170.351 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -134.71 -171.34 2.76 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.185 1.394 . . . . 0.0 109.841 175.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 12.5 t90 -19.45 -72.32 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.333 1 C-N-CA 133.791 4.837 . . . . 0.0 115.232 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -132.37 40.86 3.27 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.816 2.047 . . . . 0.0 108.798 -174.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 . . . . . 0 CA--C 1.536 0.41 0 C-N-CA 127.026 2.13 . . . . 0.0 108.776 -173.067 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.537 0.459 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -96.72 0.22 49.25 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.591 1.557 . . . . 0.0 114.232 -173.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 2.8 m0 -121.92 -146.12 0.36 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.64 1.176 . . . . 0.0 110.508 -177.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 26.1 t90 -50.98 -85.2 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 129.512 3.125 . . . . 0.0 112.528 -171.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 87.4 mtt-85 -101.89 -1.08 32.89 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.075 1.75 . . . . 0.0 111.714 174.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 . . . . . 0 CA--C 1.533 0.325 0 C-N-CA 127.058 2.143 . . . . 0.0 110.404 -177.018 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.407 0 CA-C-O 119.102 -0.475 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -102.69 0.45 33.08 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 -169.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 2.0 m-90 -122.41 -148.45 0.4 Allowed 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.109 1.364 . . . . 0.0 110.746 -176.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 25.2 t90 -51.53 -69.88 0.1 Allowed 'General case' 0 C--N 1.344 0.364 0 C-N-CA 130.295 3.438 . . . . 0.0 113.063 -170.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -133.74 44.72 2.73 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.528 1.931 . . . . 0.0 108.272 -175.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 . . . . . 0 CA--C 1.534 0.332 0 C-N-CA 127.127 2.171 . . . . 0.0 109.201 -175.304 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 . . . . . 0 N--CA 1.451 -0.421 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -151.92 38.33 0.59 Allowed 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 127.041 2.137 . . . . 0.0 108.667 168.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 67.1 p-90 -144.31 129.26 18.46 Favored 'General case' 0 C--N 1.346 0.42 0 C-N-CA 127.277 2.231 . . . . 0.0 108.231 174.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 14.1 t90 53.93 -87.51 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 128.858 2.863 . . . . 0.0 114.004 176.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -129.77 17.08 5.78 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 126.671 1.989 . . . . 0.0 111.602 -173.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 . . . . . 0 CA--C 1.533 0.309 0 C-N-CA 126.387 1.875 . . . . 0.0 109.032 -173.167 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 23.7 ttp85 . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 113.237 0.828 . . . . 0.0 113.237 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 18.5 ptp180 -93.43 -6.78 46.25 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.584 1.154 . . . . 0.0 113.905 -169.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -156.32 149.63 24.46 Favored 'General case' 0 C--N 1.345 0.397 0 C-N-CA 124.865 1.266 . . . . 0.0 110.054 169.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 6.8 t90 46.02 -121.05 1.01 Allowed 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 129.722 3.209 . . . . 0.0 112.977 171.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 76.8 mtt-85 -75.72 6.72 4.55 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.302 1.841 . . . . 0.0 113.583 -175.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 . . . . . 0 CA--C 1.532 0.276 0 C-N-CA 125.512 1.525 . . . . 0.0 110.507 -177.983 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? . . . . . 0 CA--C 1.533 0.325 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -151.47 -28.14 0.19 Allowed 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 115.928 1.825 . . . . 0.0 115.928 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 7.3 m0 -73.99 -139.77 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.38 1.872 . . . . 0.0 111.426 175.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 20.4 t90 -44.39 -69.87 0.12 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 128.203 2.601 . . . . 0.0 114.598 -169.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -141.05 29.13 1.86 Allowed 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.442 1.497 . . . . 0.0 110.856 -173.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 . . . . . 0 CA--C 1.539 0.534 0 C-N-CA 124.652 1.181 . . . . 0.0 110.489 -171.092 . . . . . . . . 0 0 . 1 stop_ save_