data_2ox2_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 2ox2 _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 ' 1' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? . . . . . 0 CA--C 1.535 0.399 0 CA-C-O 118.672 -0.68 . . . . 0.0 109.8 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 43.2 ttm105 -54.86 -84.67 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.903 1.681 . . . . 0.0 112.466 176.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 4.2 t90 -151.3 -16.93 0.2 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.48 1.912 . . . . 0.0 110.874 -173.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 57.7 p-90 -156.63 -5.5 0.11 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 127.868 2.467 . . . . 0.0 111.096 -177.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -104.32 34.02 3.26 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 126.428 1.891 . . . . 0.0 109.962 -171.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.55 0.949 0 C-N-CA 125.967 1.707 . . . . 0.0 114.005 -172.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 9.9 tpp180 . . . . . 0 CA--C 1.536 0.417 0 CA-C-O 118.88 -0.581 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 41.4 ttm105 -53.43 -84.28 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.398 1.879 . . . . 0.0 112.701 177.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 2.9 t90 -151.71 -19.94 0.19 Allowed 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.904 1.682 . . . . 0.0 110.736 -173.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 58.6 p-90 -154.28 -1.11 0.19 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 127.003 2.121 . . . . 0.0 111.766 -178.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -112.96 37.12 3.22 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.588 1.555 . . . . 0.0 109.86 -173.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.55 0.949 0 C-N-CA 126.427 1.891 . . . . 0.0 114.183 -176.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 63.5 ttm-85 . . . . . 0 CA--C 1.534 0.361 0 CA-C-O 118.345 -0.836 . . . . 0.0 110.446 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 41.2 ttm105 -51.17 -80.77 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.356 1.462 . . . . 0.0 112.46 177.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 2.9 t90 -154.56 -21.44 0.12 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.743 1.617 . . . . 0.0 111.04 -174.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 63.6 p-90 -152.82 -1.27 0.25 Allowed 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 127.589 2.356 . . . . 0.0 111.076 -178.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -112.87 41.73 2.01 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.672 1.589 . . . . 0.0 109.607 -171.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.546 0.809 0 C-N-CA 127.209 2.204 . . . . 0.0 115.15 -175.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 58.8 ttt85 . . . . . 0 CA--C 1.536 0.41 0 CA-C-O 118.777 -0.63 . . . . 0.0 109.646 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 39.8 ttt-85 -53.38 -84.87 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.818 1.647 . . . . 0.0 112.762 179.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -154.29 -20.85 0.13 Allowed 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 126.186 1.794 . . . . 0.0 110.501 -171.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 50.2 p-90 -153.22 5.25 0.34 Allowed 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 127.601 2.36 . . . . 0.0 111.035 -178.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -122.1 36.31 4.66 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.484 1.514 . . . . 0.0 110.952 -169.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.551 1.015 0 C-N-CA 125.961 1.704 . . . . 0.0 114.307 -176.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 19.6 tpp180 . . . . . 0 CA--C 1.535 0.369 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 38.0 ttm105 -71.22 -96.28 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.269 1.828 . . . . 0.0 110.734 175.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 5.6 t90 -140.22 -17.6 0.92 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.27 1.828 . . . . 0.0 110.928 -172.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 59.6 p-90 -148.68 3.4 0.64 Allowed 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 127.672 2.389 . . . . 0.0 111.193 -175.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -124.35 32.52 5.48 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.605 1.562 . . . . 0.0 110.59 -169.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.545 0.762 0 C-N-CA 126.791 2.036 . . . . 0.0 113.744 -171.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 . . . . . 0 CA--C 1.537 0.461 0 CA-C-O 118.302 -0.856 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -51.84 -82.35 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.134 1.374 . . . . 0.0 112.873 176.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -155.13 -26.53 0.11 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.29 1.836 . . . . 0.0 110.205 -174.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 51.2 p-90 -146.84 3.57 0.83 Allowed 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 127.96 2.504 . . . . 0.0 110.957 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -116.85 37.81 3.69 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.814 1.646 . . . . 0.0 110.401 -169.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.55 0.957 0 C-N-CA 126.254 1.822 . . . . 0.0 114.466 -176.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 15.4 tpp180 . . . . . 0 CA--C 1.536 0.407 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 38.0 ttm105 -60.22 -85.85 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.195 1.398 . . . . 0.0 112.254 175.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -142.57 -21.84 0.67 Allowed 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.921 1.688 . . . . 0.0 110.97 -175.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 57.5 p-90 -152.97 -11.61 0.16 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 127.707 2.403 . . . . 0.0 110.998 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -89.73 33.53 0.85 Allowed 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.693 1.597 . . . . 0.0 109.705 -178.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? . . . . . 0 CA--C 1.549 0.909 0 C-N-CA 126.517 1.927 . . . . 0.0 113.511 -174.963 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 . . . . . 0 CA--C 1.534 0.332 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 40.1 ttm105 -67.25 -95.86 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.681 1.592 . . . . 0.0 110.822 172.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 5.8 t90 -145.97 -16.99 0.46 Allowed 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.249 1.82 . . . . 0.0 111.147 -171.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 54.9 p-90 -151.21 8.44 0.54 Allowed 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 127.603 2.361 . . . . 0.0 110.913 -178.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -127.92 29.8 5.37 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.241 1.816 . . . . 0.0 110.149 -170.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? . . . . . 0 CA--C 1.546 0.801 0 C-N-CA 125.987 1.715 . . . . 0.0 113.021 -179.611 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 . . . . . 0 CA--C 1.534 0.359 0 CA-C-O 118.669 -0.681 . . . . 0.0 109.936 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -46.2 -77.99 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.466 1.906 . . . . 0.0 113.185 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -154.79 -22.65 0.12 Allowed 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.271 1.829 . . . . 0.0 110.522 -175.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 61.9 p-90 -155.83 -9.3 0.11 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 127.626 2.37 . . . . 0.0 111.127 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -95.45 39.45 1.12 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.558 1.543 . . . . 0.0 109.4 -174.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.4 mpt_? . . . . . 0 CA--C 1.549 0.911 0 C-N-CA 126.843 2.057 . . . . 0.0 114.45 -174.678 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 58.7 ttt85 . . . . . 0 CA--C 1.537 0.479 0 CA-C-O 118.299 -0.858 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 35.1 ttm105 -55.97 -85.78 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.277 1.431 . . . . 0.0 112.689 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -151.58 -21.04 0.19 Allowed 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.41 1.484 . . . . 0.0 111.276 -172.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 61.3 p-90 -154.77 13.29 0.4 Allowed 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 127.499 2.319 . . . . 0.0 110.496 -179.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -136.71 46.28 2.23 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.398 1.079 . . . . 0.0 111.308 -166.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 33.8 mmm-85 . . . . . 0 CA--C 1.544 0.731 0 C-N-CA 126.232 1.813 . . . . 0.0 115.126 178.22 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? . . . . . 0 CA--C 1.535 0.399 0 CA-C-O 118.672 -0.68 . . . . 0.0 109.8 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 43.2 ttm105 -54.86 -84.67 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.903 1.681 . . . . 0.0 112.466 176.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 4.2 t90 -151.3 -16.93 0.2 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.48 1.912 . . . . 0.0 110.874 -173.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 57.7 p-90 -156.63 -5.5 0.11 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 127.868 2.467 . . . . 0.0 111.096 -177.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -104.32 34.02 3.26 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 126.428 1.891 . . . . 0.0 109.962 -171.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.55 0.949 0 C-N-CA 125.967 1.707 . . . . 0.0 114.005 -172.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 9.9 tpp180 . . . . . 0 CA--C 1.536 0.417 0 CA-C-O 118.88 -0.581 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 41.4 ttm105 -53.43 -84.28 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.398 1.879 . . . . 0.0 112.701 177.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 2.9 t90 -151.71 -19.94 0.19 Allowed 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.904 1.682 . . . . 0.0 110.736 -173.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 58.6 p-90 -154.28 -1.11 0.19 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 127.003 2.121 . . . . 0.0 111.766 -178.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -112.96 37.12 3.22 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.588 1.555 . . . . 0.0 109.86 -173.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.55 0.949 0 C-N-CA 126.427 1.891 . . . . 0.0 114.183 -176.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 63.5 ttm-85 . . . . . 0 CA--C 1.534 0.361 0 CA-C-O 118.345 -0.836 . . . . 0.0 110.446 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 41.2 ttm105 -51.17 -80.77 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.356 1.462 . . . . 0.0 112.46 177.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 2.9 t90 -154.56 -21.44 0.12 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.743 1.617 . . . . 0.0 111.04 -174.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 63.6 p-90 -152.82 -1.27 0.25 Allowed 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 127.589 2.356 . . . . 0.0 111.076 -178.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -112.87 41.73 2.01 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.672 1.589 . . . . 0.0 109.607 -171.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.546 0.809 0 C-N-CA 127.209 2.204 . . . . 0.0 115.15 -175.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 58.8 ttt85 . . . . . 0 CA--C 1.536 0.41 0 CA-C-O 118.777 -0.63 . . . . 0.0 109.646 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 39.8 ttt-85 -53.38 -84.87 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.818 1.647 . . . . 0.0 112.762 179.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -154.29 -20.85 0.13 Allowed 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 126.186 1.794 . . . . 0.0 110.501 -171.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 50.2 p-90 -153.22 5.25 0.34 Allowed 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 127.601 2.36 . . . . 0.0 111.035 -178.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -122.1 36.31 4.66 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.484 1.514 . . . . 0.0 110.952 -169.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.551 1.015 0 C-N-CA 125.961 1.704 . . . . 0.0 114.307 -176.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 19.6 tpp180 . . . . . 0 CA--C 1.535 0.369 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 38.0 ttm105 -71.22 -96.28 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.269 1.828 . . . . 0.0 110.734 175.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 5.6 t90 -140.22 -17.6 0.92 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.27 1.828 . . . . 0.0 110.928 -172.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 59.6 p-90 -148.68 3.4 0.64 Allowed 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 127.672 2.389 . . . . 0.0 111.193 -175.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -124.35 32.52 5.48 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.605 1.562 . . . . 0.0 110.59 -169.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.545 0.762 0 C-N-CA 126.791 2.036 . . . . 0.0 113.744 -171.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 . . . . . 0 CA--C 1.537 0.461 0 CA-C-O 118.302 -0.856 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -51.84 -82.35 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.134 1.374 . . . . 0.0 112.873 176.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -155.13 -26.53 0.11 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.29 1.836 . . . . 0.0 110.205 -174.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 51.2 p-90 -146.84 3.57 0.83 Allowed 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 127.96 2.504 . . . . 0.0 110.957 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -116.85 37.81 3.69 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.814 1.646 . . . . 0.0 110.401 -169.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.55 0.957 0 C-N-CA 126.254 1.822 . . . . 0.0 114.466 -176.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 15.4 tpp180 . . . . . 0 CA--C 1.536 0.407 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 38.0 ttm105 -60.22 -85.85 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.195 1.398 . . . . 0.0 112.254 175.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -142.57 -21.84 0.67 Allowed 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.921 1.688 . . . . 0.0 110.97 -175.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 57.5 p-90 -152.97 -11.61 0.16 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 127.707 2.403 . . . . 0.0 110.998 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -89.73 33.53 0.85 Allowed 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.693 1.597 . . . . 0.0 109.705 -178.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? . . . . . 0 CA--C 1.549 0.909 0 C-N-CA 126.517 1.927 . . . . 0.0 113.511 -174.963 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 . . . . . 0 CA--C 1.534 0.332 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 40.1 ttm105 -67.25 -95.86 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.681 1.592 . . . . 0.0 110.822 172.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 5.8 t90 -145.97 -16.99 0.46 Allowed 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.249 1.82 . . . . 0.0 111.147 -171.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 54.9 p-90 -151.21 8.44 0.54 Allowed 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 127.603 2.361 . . . . 0.0 110.913 -178.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -127.92 29.8 5.37 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.241 1.816 . . . . 0.0 110.149 -170.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? . . . . . 0 CA--C 1.546 0.801 0 C-N-CA 125.987 1.715 . . . . 0.0 113.021 -179.611 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 . . . . . 0 CA--C 1.534 0.359 0 CA-C-O 118.669 -0.681 . . . . 0.0 109.936 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -46.2 -77.99 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.466 1.906 . . . . 0.0 113.185 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -154.79 -22.65 0.12 Allowed 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.271 1.829 . . . . 0.0 110.522 -175.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 61.9 p-90 -155.83 -9.3 0.11 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 127.626 2.37 . . . . 0.0 111.127 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -95.45 39.45 1.12 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.558 1.543 . . . . 0.0 109.4 -174.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.4 mpt_? . . . . . 0 CA--C 1.549 0.911 0 C-N-CA 126.843 2.057 . . . . 0.0 114.45 -174.678 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 58.7 ttt85 . . . . . 0 CA--C 1.537 0.479 0 CA-C-O 118.299 -0.858 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 35.1 ttm105 -55.97 -85.78 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.277 1.431 . . . . 0.0 112.689 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -151.58 -21.04 0.19 Allowed 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.41 1.484 . . . . 0.0 111.276 -172.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 61.3 p-90 -154.77 13.29 0.4 Allowed 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 127.499 2.319 . . . . 0.0 110.496 -179.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -136.71 46.28 2.23 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.398 1.079 . . . . 0.0 111.308 -166.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 33.8 mmm-85 . . . . . 0 CA--C 1.544 0.731 0 C-N-CA 126.232 1.813 . . . . 0.0 115.126 178.22 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? . . . . . 0 CA--C 1.535 0.399 0 CA-C-O 118.672 -0.68 . . . . 0.0 109.8 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 43.2 ttm105 -54.86 -84.67 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.903 1.681 . . . . 0.0 112.466 176.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 4.2 t90 -151.3 -16.93 0.2 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.48 1.912 . . . . 0.0 110.874 -173.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 57.7 p-90 -156.63 -5.5 0.11 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 127.868 2.467 . . . . 0.0 111.096 -177.687 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -104.32 34.02 3.26 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 126.428 1.891 . . . . 0.0 109.962 -171.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.55 0.949 0 C-N-CA 125.967 1.707 . . . . 0.0 114.005 -172.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 9.9 tpp180 . . . . . 0 CA--C 1.536 0.417 0 CA-C-O 118.88 -0.581 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 41.4 ttm105 -53.43 -84.28 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.398 1.879 . . . . 0.0 112.701 177.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.404 ' H ' ' H ' ' A' ' 4' ' ' TRP . 2.9 t90 -151.71 -19.94 0.19 Allowed 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.904 1.682 . . . . 0.0 110.736 -173.668 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.404 ' H ' ' H ' ' A' ' 3' ' ' TRP . 58.6 p-90 -154.28 -1.11 0.19 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 127.003 2.121 . . . . 0.0 111.766 -178.148 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -112.96 37.12 3.22 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.588 1.555 . . . . 0.0 109.86 -173.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.55 0.949 0 C-N-CA 126.427 1.891 . . . . 0.0 114.183 -176.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 63.5 ttm-85 . . . . . 0 CA--C 1.534 0.361 0 CA-C-O 118.345 -0.836 . . . . 0.0 110.446 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 41.2 ttm105 -51.17 -80.77 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.356 1.462 . . . . 0.0 112.46 177.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 2.9 t90 -154.56 -21.44 0.12 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.743 1.617 . . . . 0.0 111.04 -174.59 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 63.6 p-90 -152.82 -1.27 0.25 Allowed 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 127.589 2.356 . . . . 0.0 111.076 -178.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -112.87 41.73 2.01 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.672 1.589 . . . . 0.0 109.607 -171.482 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.546 0.809 0 C-N-CA 127.209 2.204 . . . . 0.0 115.15 -175.485 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 58.8 ttt85 . . . . . 0 CA--C 1.536 0.41 0 CA-C-O 118.777 -0.63 . . . . 0.0 109.646 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 39.8 ttt-85 -53.38 -84.87 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.818 1.647 . . . . 0.0 112.762 179.178 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.4 ' H ' ' H ' ' A' ' 4' ' ' TRP . 2.7 t90 -154.29 -20.85 0.13 Allowed 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 126.186 1.794 . . . . 0.0 110.501 -171.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.4 ' H ' ' H ' ' A' ' 3' ' ' TRP . 50.2 p-90 -153.22 5.25 0.34 Allowed 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 127.601 2.36 . . . . 0.0 111.035 -178.137 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -122.1 36.31 4.66 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.484 1.514 . . . . 0.0 110.952 -169.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.551 1.015 0 C-N-CA 125.961 1.704 . . . . 0.0 114.307 -176.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 19.6 tpp180 . . . . . 0 CA--C 1.535 0.369 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 38.0 ttm105 -71.22 -96.28 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.269 1.828 . . . . 0.0 110.734 175.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 5.6 t90 -140.22 -17.6 0.92 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.27 1.828 . . . . 0.0 110.928 -172.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 59.6 p-90 -148.68 3.4 0.64 Allowed 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 127.672 2.389 . . . . 0.0 111.193 -175.67 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -124.35 32.52 5.48 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.605 1.562 . . . . 0.0 110.59 -169.44 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.545 0.762 0 C-N-CA 126.791 2.036 . . . . 0.0 113.744 -171.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 . . . . . 0 CA--C 1.537 0.461 0 CA-C-O 118.302 -0.856 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -51.84 -82.35 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.134 1.374 . . . . 0.0 112.873 176.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -155.13 -26.53 0.11 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.29 1.836 . . . . 0.0 110.205 -174.06 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 51.2 p-90 -146.84 3.57 0.83 Allowed 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 127.96 2.504 . . . . 0.0 110.957 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -116.85 37.81 3.69 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.814 1.646 . . . . 0.0 110.401 -169.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.55 0.957 0 C-N-CA 126.254 1.822 . . . . 0.0 114.466 -176.099 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 15.4 tpp180 . . . . . 0 CA--C 1.536 0.407 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 38.0 ttm105 -60.22 -85.85 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.195 1.398 . . . . 0.0 112.254 175.279 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -142.57 -21.84 0.67 Allowed 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.921 1.688 . . . . 0.0 110.97 -175.244 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 57.5 p-90 -152.97 -11.61 0.16 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 127.707 2.403 . . . . 0.0 110.998 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -89.73 33.53 0.85 Allowed 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.693 1.597 . . . . 0.0 109.705 -178.012 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? . . . . . 0 CA--C 1.549 0.909 0 C-N-CA 126.517 1.927 . . . . 0.0 113.511 -174.963 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 . . . . . 0 CA--C 1.534 0.332 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 40.1 ttm105 -67.25 -95.86 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.681 1.592 . . . . 0.0 110.822 172.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 5.8 t90 -145.97 -16.99 0.46 Allowed 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.249 1.82 . . . . 0.0 111.147 -171.394 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 54.9 p-90 -151.21 8.44 0.54 Allowed 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 127.603 2.361 . . . . 0.0 110.913 -178.557 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -127.92 29.8 5.37 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.241 1.816 . . . . 0.0 110.149 -170.283 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? . . . . . 0 CA--C 1.546 0.801 0 C-N-CA 125.987 1.715 . . . . 0.0 113.021 -179.611 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 . . . . . 0 CA--C 1.534 0.359 0 CA-C-O 118.669 -0.681 . . . . 0.0 109.936 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -46.2 -77.99 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.466 1.906 . . . . 0.0 113.185 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -154.79 -22.65 0.12 Allowed 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.271 1.829 . . . . 0.0 110.522 -175.037 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 61.9 p-90 -155.83 -9.3 0.11 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 127.626 2.37 . . . . 0.0 111.127 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -95.45 39.45 1.12 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.558 1.543 . . . . 0.0 109.4 -174.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.4 mpt_? . . . . . 0 CA--C 1.549 0.911 0 C-N-CA 126.843 2.057 . . . . 0.0 114.45 -174.678 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 58.7 ttt85 . . . . . 0 CA--C 1.537 0.479 0 CA-C-O 118.299 -0.858 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 35.1 ttm105 -55.97 -85.78 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.277 1.431 . . . . 0.0 112.689 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -151.58 -21.04 0.19 Allowed 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.41 1.484 . . . . 0.0 111.276 -172.08 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 61.3 p-90 -154.77 13.29 0.4 Allowed 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 127.499 2.319 . . . . 0.0 110.496 -179.026 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -136.71 46.28 2.23 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.398 1.079 . . . . 0.0 111.308 -166.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 33.8 mmm-85 . . . . . 0 CA--C 1.544 0.731 0 C-N-CA 126.232 1.813 . . . . 0.0 115.126 178.22 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? . . . . . 0 CA--C 1.535 0.399 0 CA-C-O 118.672 -0.68 . . . . 0.0 109.8 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 43.2 ttm105 -54.86 -84.67 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.903 1.681 . . . . 0.0 112.466 176.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 4.2 t90 -151.3 -16.93 0.2 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.48 1.912 . . . . 0.0 110.874 -173.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 57.7 p-90 -156.63 -5.5 0.11 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 127.868 2.467 . . . . 0.0 111.096 -177.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -104.32 34.02 3.26 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 126.428 1.891 . . . . 0.0 109.962 -171.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.55 0.949 0 C-N-CA 125.967 1.707 . . . . 0.0 114.005 -172.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 9.9 tpp180 . . . . . 0 CA--C 1.536 0.417 0 CA-C-O 118.88 -0.581 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 41.4 ttm105 -53.43 -84.28 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.398 1.879 . . . . 0.0 112.701 177.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.404 ' H ' ' H ' ' A' ' 4' ' ' TRP . 2.9 t90 -151.71 -19.94 0.19 Allowed 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.904 1.682 . . . . 0.0 110.736 -173.668 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.404 ' H ' ' H ' ' A' ' 3' ' ' TRP . 58.6 p-90 -154.28 -1.11 0.19 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 127.003 2.121 . . . . 0.0 111.766 -178.148 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -112.96 37.12 3.22 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.588 1.555 . . . . 0.0 109.86 -173.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.55 0.949 0 C-N-CA 126.427 1.891 . . . . 0.0 114.183 -176.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 63.5 ttm-85 . . . . . 0 CA--C 1.534 0.361 0 CA-C-O 118.345 -0.836 . . . . 0.0 110.446 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 41.2 ttm105 -51.17 -80.77 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.356 1.462 . . . . 0.0 112.46 177.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 2.9 t90 -154.56 -21.44 0.12 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.743 1.617 . . . . 0.0 111.04 -174.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 63.6 p-90 -152.82 -1.27 0.25 Allowed 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 127.589 2.356 . . . . 0.0 111.076 -178.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -112.87 41.73 2.01 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.672 1.589 . . . . 0.0 109.607 -171.482 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.546 0.809 0 C-N-CA 127.209 2.204 . . . . 0.0 115.15 -175.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 58.8 ttt85 . . . . . 0 CA--C 1.536 0.41 0 CA-C-O 118.777 -0.63 . . . . 0.0 109.646 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 39.8 ttt-85 -53.38 -84.87 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.818 1.647 . . . . 0.0 112.762 179.178 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.4 ' H ' ' H ' ' A' ' 4' ' ' TRP . 2.7 t90 -154.29 -20.85 0.13 Allowed 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 126.186 1.794 . . . . 0.0 110.501 -171.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.4 ' H ' ' H ' ' A' ' 3' ' ' TRP . 50.2 p-90 -153.22 5.25 0.34 Allowed 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 127.601 2.36 . . . . 0.0 111.035 -178.137 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -122.1 36.31 4.66 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.484 1.514 . . . . 0.0 110.952 -169.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.551 1.015 0 C-N-CA 125.961 1.704 . . . . 0.0 114.307 -176.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 19.6 tpp180 . . . . . 0 CA--C 1.535 0.369 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 38.0 ttm105 -71.22 -96.28 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.269 1.828 . . . . 0.0 110.734 175.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 5.6 t90 -140.22 -17.6 0.92 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.27 1.828 . . . . 0.0 110.928 -172.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 59.6 p-90 -148.68 3.4 0.64 Allowed 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 127.672 2.389 . . . . 0.0 111.193 -175.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -124.35 32.52 5.48 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.605 1.562 . . . . 0.0 110.59 -169.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.545 0.762 0 C-N-CA 126.791 2.036 . . . . 0.0 113.744 -171.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 . . . . . 0 CA--C 1.537 0.461 0 CA-C-O 118.302 -0.856 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -51.84 -82.35 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.134 1.374 . . . . 0.0 112.873 176.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -155.13 -26.53 0.11 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.29 1.836 . . . . 0.0 110.205 -174.06 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 51.2 p-90 -146.84 3.57 0.83 Allowed 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 127.96 2.504 . . . . 0.0 110.957 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -116.85 37.81 3.69 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.814 1.646 . . . . 0.0 110.401 -169.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.55 0.957 0 C-N-CA 126.254 1.822 . . . . 0.0 114.466 -176.099 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 15.4 tpp180 . . . . . 0 CA--C 1.536 0.407 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 38.0 ttm105 -60.22 -85.85 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.195 1.398 . . . . 0.0 112.254 175.279 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -142.57 -21.84 0.67 Allowed 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.921 1.688 . . . . 0.0 110.97 -175.244 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 57.5 p-90 -152.97 -11.61 0.16 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 127.707 2.403 . . . . 0.0 110.998 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -89.73 33.53 0.85 Allowed 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.693 1.597 . . . . 0.0 109.705 -178.012 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? . . . . . 0 CA--C 1.549 0.909 0 C-N-CA 126.517 1.927 . . . . 0.0 113.511 -174.963 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 . . . . . 0 CA--C 1.534 0.332 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 40.1 ttm105 -67.25 -95.86 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.681 1.592 . . . . 0.0 110.822 172.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 5.8 t90 -145.97 -16.99 0.46 Allowed 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.249 1.82 . . . . 0.0 111.147 -171.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 54.9 p-90 -151.21 8.44 0.54 Allowed 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 127.603 2.361 . . . . 0.0 110.913 -178.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -127.92 29.8 5.37 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.241 1.816 . . . . 0.0 110.149 -170.283 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? . . . . . 0 CA--C 1.546 0.801 0 C-N-CA 125.987 1.715 . . . . 0.0 113.021 -179.611 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 . . . . . 0 CA--C 1.534 0.359 0 CA-C-O 118.669 -0.681 . . . . 0.0 109.936 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -46.2 -77.99 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.466 1.906 . . . . 0.0 113.185 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -154.79 -22.65 0.12 Allowed 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.271 1.829 . . . . 0.0 110.522 -175.037 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 61.9 p-90 -155.83 -9.3 0.11 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 127.626 2.37 . . . . 0.0 111.127 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -95.45 39.45 1.12 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.558 1.543 . . . . 0.0 109.4 -174.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.4 mpt_? . . . . . 0 CA--C 1.549 0.911 0 C-N-CA 126.843 2.057 . . . . 0.0 114.45 -174.678 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 58.7 ttt85 . . . . . 0 CA--C 1.537 0.479 0 CA-C-O 118.299 -0.858 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 35.1 ttm105 -55.97 -85.78 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.277 1.431 . . . . 0.0 112.689 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -151.58 -21.04 0.19 Allowed 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.41 1.484 . . . . 0.0 111.276 -172.08 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 61.3 p-90 -154.77 13.29 0.4 Allowed 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 127.499 2.319 . . . . 0.0 110.496 -179.026 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -136.71 46.28 2.23 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.398 1.079 . . . . 0.0 111.308 -166.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 33.8 mmm-85 . . . . . 0 CA--C 1.544 0.731 0 C-N-CA 126.232 1.813 . . . . 0.0 115.126 178.22 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? . . . . . 0 CA--C 1.535 0.399 0 CA-C-O 118.672 -0.68 . . . . 0.0 109.8 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 43.2 ttm105 -54.86 -84.67 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.903 1.681 . . . . 0.0 112.466 176.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 4.2 t90 -151.3 -16.93 0.2 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.48 1.912 . . . . 0.0 110.874 -173.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 57.7 p-90 -156.63 -5.5 0.11 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 127.868 2.467 . . . . 0.0 111.096 -177.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -104.32 34.02 3.26 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 126.428 1.891 . . . . 0.0 109.962 -171.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.55 0.949 0 C-N-CA 125.967 1.707 . . . . 0.0 114.005 -172.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 9.9 tpp180 . . . . . 0 CA--C 1.536 0.417 0 CA-C-O 118.88 -0.581 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 41.4 ttm105 -53.43 -84.28 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.398 1.879 . . . . 0.0 112.701 177.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.404 ' H ' ' H ' ' A' ' 4' ' ' TRP . 2.9 t90 -151.71 -19.94 0.19 Allowed 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.904 1.682 . . . . 0.0 110.736 -173.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.404 ' H ' ' H ' ' A' ' 3' ' ' TRP . 58.6 p-90 -154.28 -1.11 0.19 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 127.003 2.121 . . . . 0.0 111.766 -178.148 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -112.96 37.12 3.22 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.588 1.555 . . . . 0.0 109.86 -173.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.55 0.949 0 C-N-CA 126.427 1.891 . . . . 0.0 114.183 -176.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 63.5 ttm-85 . . . . . 0 CA--C 1.534 0.361 0 CA-C-O 118.345 -0.836 . . . . 0.0 110.446 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 41.2 ttm105 -51.17 -80.77 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.356 1.462 . . . . 0.0 112.46 177.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 2.9 t90 -154.56 -21.44 0.12 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.743 1.617 . . . . 0.0 111.04 -174.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 63.6 p-90 -152.82 -1.27 0.25 Allowed 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 127.589 2.356 . . . . 0.0 111.076 -178.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -112.87 41.73 2.01 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.672 1.589 . . . . 0.0 109.607 -171.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.546 0.809 0 C-N-CA 127.209 2.204 . . . . 0.0 115.15 -175.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 58.8 ttt85 . . . . . 0 CA--C 1.536 0.41 0 CA-C-O 118.777 -0.63 . . . . 0.0 109.646 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 39.8 ttt-85 -53.38 -84.87 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.818 1.647 . . . . 0.0 112.762 179.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.4 ' H ' ' H ' ' A' ' 4' ' ' TRP . 2.7 t90 -154.29 -20.85 0.13 Allowed 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 126.186 1.794 . . . . 0.0 110.501 -171.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.4 ' H ' ' H ' ' A' ' 3' ' ' TRP . 50.2 p-90 -153.22 5.25 0.34 Allowed 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 127.601 2.36 . . . . 0.0 111.035 -178.137 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -122.1 36.31 4.66 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.484 1.514 . . . . 0.0 110.952 -169.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.551 1.015 0 C-N-CA 125.961 1.704 . . . . 0.0 114.307 -176.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 19.6 tpp180 . . . . . 0 CA--C 1.535 0.369 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 38.0 ttm105 -71.22 -96.28 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.269 1.828 . . . . 0.0 110.734 175.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 5.6 t90 -140.22 -17.6 0.92 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.27 1.828 . . . . 0.0 110.928 -172.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 59.6 p-90 -148.68 3.4 0.64 Allowed 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 127.672 2.389 . . . . 0.0 111.193 -175.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -124.35 32.52 5.48 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.605 1.562 . . . . 0.0 110.59 -169.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.545 0.762 0 C-N-CA 126.791 2.036 . . . . 0.0 113.744 -171.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 . . . . . 0 CA--C 1.537 0.461 0 CA-C-O 118.302 -0.856 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -51.84 -82.35 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.134 1.374 . . . . 0.0 112.873 176.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -155.13 -26.53 0.11 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.29 1.836 . . . . 0.0 110.205 -174.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 51.2 p-90 -146.84 3.57 0.83 Allowed 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 127.96 2.504 . . . . 0.0 110.957 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -116.85 37.81 3.69 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.814 1.646 . . . . 0.0 110.401 -169.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.55 0.957 0 C-N-CA 126.254 1.822 . . . . 0.0 114.466 -176.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 15.4 tpp180 . . . . . 0 CA--C 1.536 0.407 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 38.0 ttm105 -60.22 -85.85 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.195 1.398 . . . . 0.0 112.254 175.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -142.57 -21.84 0.67 Allowed 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.921 1.688 . . . . 0.0 110.97 -175.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 57.5 p-90 -152.97 -11.61 0.16 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 127.707 2.403 . . . . 0.0 110.998 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -89.73 33.53 0.85 Allowed 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.693 1.597 . . . . 0.0 109.705 -178.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? . . . . . 0 CA--C 1.549 0.909 0 C-N-CA 126.517 1.927 . . . . 0.0 113.511 -174.963 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 . . . . . 0 CA--C 1.534 0.332 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 40.1 ttm105 -67.25 -95.86 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.681 1.592 . . . . 0.0 110.822 172.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 5.8 t90 -145.97 -16.99 0.46 Allowed 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.249 1.82 . . . . 0.0 111.147 -171.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 54.9 p-90 -151.21 8.44 0.54 Allowed 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 127.603 2.361 . . . . 0.0 110.913 -178.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -127.92 29.8 5.37 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.241 1.816 . . . . 0.0 110.149 -170.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? . . . . . 0 CA--C 1.546 0.801 0 C-N-CA 125.987 1.715 . . . . 0.0 113.021 -179.611 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 . . . . . 0 CA--C 1.534 0.359 0 CA-C-O 118.669 -0.681 . . . . 0.0 109.936 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -46.2 -77.99 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.466 1.906 . . . . 0.0 113.185 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -154.79 -22.65 0.12 Allowed 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.271 1.829 . . . . 0.0 110.522 -175.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 61.9 p-90 -155.83 -9.3 0.11 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 127.626 2.37 . . . . 0.0 111.127 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -95.45 39.45 1.12 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.558 1.543 . . . . 0.0 109.4 -174.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.4 mpt_? . . . . . 0 CA--C 1.549 0.911 0 C-N-CA 126.843 2.057 . . . . 0.0 114.45 -174.678 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 58.7 ttt85 . . . . . 0 CA--C 1.537 0.479 0 CA-C-O 118.299 -0.858 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 35.1 ttm105 -55.97 -85.78 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.277 1.431 . . . . 0.0 112.689 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -151.58 -21.04 0.19 Allowed 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.41 1.484 . . . . 0.0 111.276 -172.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 61.3 p-90 -154.77 13.29 0.4 Allowed 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 127.499 2.319 . . . . 0.0 110.496 -179.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -136.71 46.28 2.23 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.398 1.079 . . . . 0.0 111.308 -166.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 33.8 mmm-85 . . . . . 0 CA--C 1.544 0.731 0 C-N-CA 126.232 1.813 . . . . 0.0 115.126 178.22 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? . . . . . 0 CA--C 1.535 0.399 0 CA-C-O 118.672 -0.68 . . . . 0.0 109.8 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 43.2 ttm105 -54.86 -84.67 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.903 1.681 . . . . 0.0 112.466 176.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 4.2 t90 -151.3 -16.93 0.2 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.48 1.912 . . . . 0.0 110.874 -173.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 57.7 p-90 -156.63 -5.5 0.11 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 127.868 2.467 . . . . 0.0 111.096 -177.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -104.32 34.02 3.26 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 126.428 1.891 . . . . 0.0 109.962 -171.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.55 0.949 0 C-N-CA 125.967 1.707 . . . . 0.0 114.005 -172.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 9.9 tpp180 . . . . . 0 CA--C 1.536 0.417 0 CA-C-O 118.88 -0.581 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 41.4 ttm105 -53.43 -84.28 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.398 1.879 . . . . 0.0 112.701 177.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.404 ' H ' ' H ' ' A' ' 4' ' ' TRP . 2.9 t90 -151.71 -19.94 0.19 Allowed 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.904 1.682 . . . . 0.0 110.736 -173.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.404 ' H ' ' H ' ' A' ' 3' ' ' TRP . 58.6 p-90 -154.28 -1.11 0.19 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 127.003 2.121 . . . . 0.0 111.766 -178.148 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -112.96 37.12 3.22 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.588 1.555 . . . . 0.0 109.86 -173.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.55 0.949 0 C-N-CA 126.427 1.891 . . . . 0.0 114.183 -176.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 63.5 ttm-85 . . . . . 0 CA--C 1.534 0.361 0 CA-C-O 118.345 -0.836 . . . . 0.0 110.446 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 41.2 ttm105 -51.17 -80.77 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.356 1.462 . . . . 0.0 112.46 177.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 2.9 t90 -154.56 -21.44 0.12 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.743 1.617 . . . . 0.0 111.04 -174.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 63.6 p-90 -152.82 -1.27 0.25 Allowed 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 127.589 2.356 . . . . 0.0 111.076 -178.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -112.87 41.73 2.01 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.672 1.589 . . . . 0.0 109.607 -171.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.546 0.809 0 C-N-CA 127.209 2.204 . . . . 0.0 115.15 -175.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 58.8 ttt85 . . . . . 0 CA--C 1.536 0.41 0 CA-C-O 118.777 -0.63 . . . . 0.0 109.646 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 39.8 ttt-85 -53.38 -84.87 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.818 1.647 . . . . 0.0 112.762 179.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.4 ' H ' ' H ' ' A' ' 4' ' ' TRP . 2.7 t90 -154.29 -20.85 0.13 Allowed 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 126.186 1.794 . . . . 0.0 110.501 -171.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.4 ' H ' ' H ' ' A' ' 3' ' ' TRP . 50.2 p-90 -153.22 5.25 0.34 Allowed 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 127.601 2.36 . . . . 0.0 111.035 -178.137 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -122.1 36.31 4.66 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.484 1.514 . . . . 0.0 110.952 -169.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.551 1.015 0 C-N-CA 125.961 1.704 . . . . 0.0 114.307 -176.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 19.6 tpp180 . . . . . 0 CA--C 1.535 0.369 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 38.0 ttm105 -71.22 -96.28 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.269 1.828 . . . . 0.0 110.734 175.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 5.6 t90 -140.22 -17.6 0.92 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.27 1.828 . . . . 0.0 110.928 -172.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 59.6 p-90 -148.68 3.4 0.64 Allowed 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 127.672 2.389 . . . . 0.0 111.193 -175.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -124.35 32.52 5.48 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.605 1.562 . . . . 0.0 110.59 -169.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.545 0.762 0 C-N-CA 126.791 2.036 . . . . 0.0 113.744 -171.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 . . . . . 0 CA--C 1.537 0.461 0 CA-C-O 118.302 -0.856 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -51.84 -82.35 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.134 1.374 . . . . 0.0 112.873 176.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -155.13 -26.53 0.11 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.29 1.836 . . . . 0.0 110.205 -174.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 51.2 p-90 -146.84 3.57 0.83 Allowed 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 127.96 2.504 . . . . 0.0 110.957 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -116.85 37.81 3.69 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.814 1.646 . . . . 0.0 110.401 -169.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.55 0.957 0 C-N-CA 126.254 1.822 . . . . 0.0 114.466 -176.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 15.4 tpp180 . . . . . 0 CA--C 1.536 0.407 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 38.0 ttm105 -60.22 -85.85 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.195 1.398 . . . . 0.0 112.254 175.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -142.57 -21.84 0.67 Allowed 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.921 1.688 . . . . 0.0 110.97 -175.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 57.5 p-90 -152.97 -11.61 0.16 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 127.707 2.403 . . . . 0.0 110.998 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -89.73 33.53 0.85 Allowed 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.693 1.597 . . . . 0.0 109.705 -178.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? . . . . . 0 CA--C 1.549 0.909 0 C-N-CA 126.517 1.927 . . . . 0.0 113.511 -174.963 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 . . . . . 0 CA--C 1.534 0.332 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 40.1 ttm105 -67.25 -95.86 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.681 1.592 . . . . 0.0 110.822 172.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 5.8 t90 -145.97 -16.99 0.46 Allowed 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.249 1.82 . . . . 0.0 111.147 -171.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 54.9 p-90 -151.21 8.44 0.54 Allowed 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 127.603 2.361 . . . . 0.0 110.913 -178.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -127.92 29.8 5.37 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.241 1.816 . . . . 0.0 110.149 -170.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? . . . . . 0 CA--C 1.546 0.801 0 C-N-CA 125.987 1.715 . . . . 0.0 113.021 -179.611 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 . . . . . 0 CA--C 1.534 0.359 0 CA-C-O 118.669 -0.681 . . . . 0.0 109.936 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -46.2 -77.99 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.466 1.906 . . . . 0.0 113.185 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -154.79 -22.65 0.12 Allowed 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.271 1.829 . . . . 0.0 110.522 -175.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 61.9 p-90 -155.83 -9.3 0.11 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 127.626 2.37 . . . . 0.0 111.127 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -95.45 39.45 1.12 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.558 1.543 . . . . 0.0 109.4 -174.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.4 mpt_? . . . . . 0 CA--C 1.549 0.911 0 C-N-CA 126.843 2.057 . . . . 0.0 114.45 -174.678 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 58.7 ttt85 . . . . . 0 CA--C 1.537 0.479 0 CA-C-O 118.299 -0.858 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 35.1 ttm105 -55.97 -85.78 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.277 1.431 . . . . 0.0 112.689 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -151.58 -21.04 0.19 Allowed 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.41 1.484 . . . . 0.0 111.276 -172.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 61.3 p-90 -154.77 13.29 0.4 Allowed 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 127.499 2.319 . . . . 0.0 110.496 -179.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -136.71 46.28 2.23 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.398 1.079 . . . . 0.0 111.308 -166.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 33.8 mmm-85 . . . . . 0 CA--C 1.544 0.731 0 C-N-CA 126.232 1.813 . . . . 0.0 115.126 178.22 . . . . . . . . 0 0 . 1 stop_ save_