data_2otq_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 2otq _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 . . . . . . . . . . . . . 99.5 mtt180 . . . . . 0 CA--C 1.541 0.601 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 79.4 mtp85 -25.99 -52.37 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 130.186 3.394 . . . . 0.0 116.919 -170.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 38.9 p-90 -149.12 10.19 0.78 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.592 1.557 . . . . 0.0 111.18 -175.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.5 p90 -143.06 -164.05 1.77 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.389 1.876 . . . . 0.0 109.738 -174.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 19.6 t90 . . . . . 0 CA--C 1.535 0.367 0 C-N-CA 125.932 1.693 . . . . 0.0 112.439 177.151 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.538 0.503 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 76.35 -68.01 0.2 Allowed 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 129.309 3.043 . . . . 0.0 111.609 -171.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 56.5 p-90 -164.73 2.85 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.115 1.366 . . . . 0.0 112.21 -174.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -121.07 -162.53 0.97 Allowed 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.13 1.372 . . . . 0.0 111.319 -172.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 10.1 p90 . . . . . 0 CA--C 1.544 0.724 0 C-N-CA 127.834 2.454 . . . . 0.0 116.148 -172.518 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.538 0.49 0 CA-C-O 120.53 0.205 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 56.38 -76.41 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 129.21 3.004 . . . . 0.0 115.337 171.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 39.9 p-90 -151.55 5.12 0.44 Allowed 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.662 1.585 . . . . 0.0 112.297 -172.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 16.7 p90 -119.36 -159.56 0.77 Allowed 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.778 1.631 . . . . 0.0 110.946 -171.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 8.3 p90 . . . . . 0 CA--C 1.542 0.657 0 C-N-CA 127.425 2.29 . . . . 0.0 115.602 -175.542 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? . . . . . 0 CA--C 1.543 0.676 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? 79.75 -64.72 0.21 Allowed 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 129.306 3.042 . . . . 0.0 112.059 177.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 52.7 p-90 -163.08 6.91 0.05 OUTLIER 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.909 1.684 . . . . 0.0 111.332 -177.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 30.8 p90 -140.66 -173.71 3.77 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.868 1.667 . . . . 0.0 110.304 -177.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 7.5 p90 . . . . . 0 CA--C 1.54 0.592 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 -172.504 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.539 0.529 0 N-CA-C 113.333 0.864 . . . . 0.0 113.333 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 75.06 -59.97 0.53 Allowed 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 129.115 2.966 . . . . 0.0 112.602 -178.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 52.9 p-90 -164.61 8.62 0.04 OUTLIER 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.125 1.77 . . . . 0.0 111.476 -177.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -145.47 -172.47 3.89 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.97 1.308 . . . . 0.0 111.753 -172.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 19.9 p90 . . . . . 0 CA--C 1.539 0.551 0 C-N-CA 126.83 2.052 . . . . 0.0 114.728 -177.112 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.538 0.49 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.0 mpt_? 59.35 -82.67 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 128.867 2.867 . . . . 0.0 112.243 -175.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.6 p-90 -151.52 -23.95 0.2 Allowed 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 126.219 1.808 . . . . 0.0 110.599 -179.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -79.73 -170.85 2.57 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.267 1.427 . . . . 0.0 109.985 169.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 15.9 t90 . . . . . 0 CA--C 1.538 0.487 0 C-N-CA 125.003 1.321 . . . . 0.0 112.47 176.551 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 9.4 ptm85 . . . . . 0 N--CA 1.476 0.875 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 61.11 -61.84 0.08 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 129.667 3.187 . . . . 0.0 116.391 169.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 43.6 p-90 -147.54 4.22 0.77 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.204 1.802 . . . . 0.0 111.889 -172.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 8.7 p90 -144.61 -179.91 6.87 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.854 1.662 . . . . 0.0 110.473 176.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 6.3 p90 . . . . . 0 CA--C 1.543 0.684 0 C-N-CA 124.432 1.093 . . . . 0.0 113.667 -169.159 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 . . . . . 0 CA--C 1.537 0.459 0 N-CA-C 111.32 0.118 . . . . 0.0 111.32 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? 59.24 -80.45 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 128.659 2.784 . . . . 0.0 114.181 178.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 67.0 p-90 -134.79 4.82 3.33 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.177 1.791 . . . . 0.0 111.099 -169.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -138.3 175.09 9.87 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.813 1.645 . . . . 0.0 110.789 -177.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 40.6 p90 . . . . . 0 CA--C 1.542 0.637 0 C-N-CA 127.058 2.143 . . . . 0.0 114.777 -169.588 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 42.2 mtt-85 . . . . . 0 CA--C 1.534 0.35 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 52.12 -146.13 0.51 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.374 1.47 . . . . 0.0 112.315 174.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 36.9 p-90 -68.71 -0.29 5.13 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 127.006 2.122 . . . . 0.0 113.983 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -121.01 -175.77 3.12 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.035 1.734 . . . . 0.0 110.153 177.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.442 0 C-N-CA 123.304 0.642 . . . . 0.0 110.976 -177.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.538 0.503 0 N-CA-C 112.2 0.445 . . . . 0.0 112.2 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 64.4 mtm180 79.61 -66.57 0.16 Allowed 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 128.736 2.814 . . . . 0.0 108.221 -169.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 61.0 p-90 -165.18 -20.42 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 128.63 2.772 . . . . 0.0 109.144 170.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -60.58 176.4 0.38 Allowed 'General case' 0 C--N 1.347 0.479 0 C-N-CA 127.581 2.353 . . . . 0.0 112.817 173.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 6.0 p90 . . . . . 0 CA--C 1.544 0.718 0 C-N-CA 126.29 1.836 . . . . 0.0 113.342 169.53 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 . . . . . 0 CA--C 1.541 0.601 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 79.4 mtp85 -25.99 -52.37 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 130.186 3.394 . . . . 0.0 116.919 -170.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 38.9 p-90 -149.12 10.19 0.78 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.592 1.557 . . . . 0.0 111.18 -175.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.5 p90 -143.06 -164.05 1.77 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.389 1.876 . . . . 0.0 109.738 -174.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 19.6 t90 -45.73 121.12 2.94 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.932 1.693 . . . . 0.0 112.439 177.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 . . . . . 0 CA--C 1.543 0.689 0 C-N-CA 128.32 2.648 . . . . 0.0 116.354 -179.655 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.538 0.503 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 76.35 -68.01 0.2 Allowed 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 129.309 3.043 . . . . 0.0 111.609 -171.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 56.5 p-90 -164.73 2.85 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.115 1.366 . . . . 0.0 112.21 -174.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -121.07 -162.53 0.97 Allowed 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.13 1.372 . . . . 0.0 111.319 -172.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 10.1 p90 -51.77 -13.84 0.3 Allowed 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 127.834 2.454 . . . . 0.0 116.148 -172.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 50.8 ttp180 . . . . . 0 CA--C 1.535 0.387 0 C-N-CA 125.55 1.54 . . . . 0.0 110.459 -172.774 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.538 0.49 0 CA-C-O 120.53 0.205 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 56.38 -76.41 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 129.21 3.004 . . . . 0.0 115.337 171.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 39.9 p-90 -151.55 5.12 0.44 Allowed 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.662 1.585 . . . . 0.0 112.297 -172.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 16.7 p90 -119.36 -159.56 0.77 Allowed 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.778 1.631 . . . . 0.0 110.946 -171.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 8.3 p90 -52.42 -13.85 0.41 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 127.425 2.29 . . . . 0.0 115.602 -175.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 57.2 ttt85 . . . . . 0 CA--C 1.54 0.59 0 C-N-CA 124.108 0.963 . . . . 0.0 111.192 -175.661 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? . . . . . 0 CA--C 1.543 0.676 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? 79.75 -64.72 0.21 Allowed 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 129.306 3.042 . . . . 0.0 112.059 177.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 52.7 p-90 -163.08 6.91 0.05 OUTLIER 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.909 1.684 . . . . 0.0 111.332 -177.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 30.8 p90 -140.66 -173.71 3.77 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.868 1.667 . . . . 0.0 110.304 -177.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 7.5 p90 -60.32 -10.82 5.18 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 -172.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 38.2 ttp180 . . . . . 0 CA--C 1.538 0.497 0 C-N-CA 125.816 1.646 . . . . 0.0 108.407 -174.754 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.539 0.529 0 N-CA-C 113.333 0.864 . . . . 0.0 113.333 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 75.06 -59.97 0.53 Allowed 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 129.115 2.966 . . . . 0.0 112.602 -178.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 52.9 p-90 -164.61 8.62 0.04 OUTLIER 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.125 1.77 . . . . 0.0 111.476 -177.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -145.47 -172.47 3.89 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.97 1.308 . . . . 0.0 111.753 -172.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 19.9 p90 -56.59 -11.56 1.38 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.83 2.052 . . . . 0.0 114.728 -177.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 55.6 ttt85 . . . . . 0 CA--C 1.539 0.538 0 C-N-CA 126.056 1.742 . . . . 0.0 108.0 -176.597 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.538 0.49 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.0 mpt_? 59.35 -82.67 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 128.867 2.867 . . . . 0.0 112.243 -175.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.6 p-90 -151.52 -23.95 0.2 Allowed 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 126.219 1.808 . . . . 0.0 110.599 -179.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -79.73 -170.85 2.57 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.267 1.427 . . . . 0.0 109.985 169.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 15.9 t90 -50.34 126.75 15.72 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.003 1.321 . . . . 0.0 112.47 176.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.54 0.565 0 C-N-CA 128.363 2.665 . . . . 0.0 115.739 170.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 9.4 ptm85 . . . . . 0 N--CA 1.476 0.875 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 61.11 -61.84 0.08 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 129.667 3.187 . . . . 0.0 116.391 169.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 43.6 p-90 -147.54 4.22 0.77 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.204 1.802 . . . . 0.0 111.889 -172.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 8.7 p90 -144.61 -179.91 6.87 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.854 1.662 . . . . 0.0 110.473 176.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 6.3 p90 -55.4 -37.21 67.32 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.432 1.093 . . . . 0.0 113.667 -169.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.535 0.371 0 C-N-CA 126.408 1.883 . . . . 0.0 115.108 178.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 . . . . . 0 CA--C 1.537 0.459 0 N-CA-C 111.32 0.118 . . . . 0.0 111.32 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? 59.24 -80.45 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 128.659 2.784 . . . . 0.0 114.181 178.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 67.0 p-90 -134.79 4.82 3.33 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.177 1.791 . . . . 0.0 111.099 -169.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -138.3 175.09 9.87 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.813 1.645 . . . . 0.0 110.789 -177.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 40.6 p90 -47.63 -39.54 17.29 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 127.058 2.143 . . . . 0.0 114.777 -169.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 52.8 ttt85 . . . . . 0 CA--C 1.537 0.455 0 C-N-CA 125.813 1.645 . . . . 0.0 113.97 177.651 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 42.2 mtt-85 . . . . . 0 CA--C 1.534 0.35 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 52.12 -146.13 0.51 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.374 1.47 . . . . 0.0 112.315 174.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 36.9 p-90 -68.71 -0.29 5.13 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 127.006 2.122 . . . . 0.0 113.983 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -121.01 -175.77 3.12 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.035 1.734 . . . . 0.0 110.153 177.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.02 139.94 57.95 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.304 0.642 . . . . 0.0 110.976 -177.165 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 53.8 ttp85 . . . . . 0 CA--C 1.544 0.738 0 C-N-CA 128.146 2.578 . . . . 0.0 115.771 176.961 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.538 0.503 0 N-CA-C 112.2 0.445 . . . . 0.0 112.2 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 64.4 mtm180 79.61 -66.57 0.16 Allowed 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 128.736 2.814 . . . . 0.0 108.221 -169.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 61.0 p-90 -165.18 -20.42 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 128.63 2.772 . . . . 0.0 109.144 170.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -60.58 176.4 0.38 Allowed 'General case' 0 C--N 1.347 0.479 0 C-N-CA 127.581 2.353 . . . . 0.0 112.817 173.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 6.0 p90 -57.57 -13.54 3.94 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.29 1.836 . . . . 0.0 113.342 169.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 51.1 ttp180 . . . . . 0 CA--C 1.535 0.375 0 C-N-CA 127.157 2.183 . . . . 0.0 107.722 -174.742 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 . . . . . 0 CA--C 1.541 0.601 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 79.4 mtp85 -25.99 -52.37 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 130.186 3.394 . . . . 0.0 116.919 -170.529 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 38.9 p-90 -149.12 10.19 0.78 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.592 1.557 . . . . 0.0 111.18 -175.602 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.5 p90 -143.06 -164.05 1.77 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.389 1.876 . . . . 0.0 109.738 -174.541 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 19.6 t90 . . . . . 0 CA--C 1.535 0.367 0 C-N-CA 125.932 1.693 . . . . 0.0 112.439 177.151 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.538 0.503 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 76.35 -68.01 0.2 Allowed 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 129.309 3.043 . . . . 0.0 111.609 -171.247 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 56.5 p-90 -164.73 2.85 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.115 1.366 . . . . 0.0 112.21 -174.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -121.07 -162.53 0.97 Allowed 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.13 1.372 . . . . 0.0 111.319 -172.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 10.1 p90 . . . . . 0 CA--C 1.544 0.724 0 C-N-CA 127.834 2.454 . . . . 0.0 116.148 -172.518 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.538 0.49 0 CA-C-O 120.53 0.205 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 56.38 -76.41 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 129.21 3.004 . . . . 0.0 115.337 171.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 39.9 p-90 -151.55 5.12 0.44 Allowed 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.662 1.585 . . . . 0.0 112.297 -172.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 16.7 p90 -119.36 -159.56 0.77 Allowed 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.778 1.631 . . . . 0.0 110.946 -171.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 8.3 p90 . . . . . 0 CA--C 1.542 0.657 0 C-N-CA 127.425 2.29 . . . . 0.0 115.602 -175.542 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? . . . . . 0 CA--C 1.543 0.676 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? 79.75 -64.72 0.21 Allowed 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 129.306 3.042 . . . . 0.0 112.059 177.062 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 52.7 p-90 -163.08 6.91 0.05 OUTLIER 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.909 1.684 . . . . 0.0 111.332 -177.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 30.8 p90 -140.66 -173.71 3.77 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.868 1.667 . . . . 0.0 110.304 -177.131 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 7.5 p90 . . . . . 0 CA--C 1.54 0.592 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 -172.504 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.539 0.529 0 N-CA-C 113.333 0.864 . . . . 0.0 113.333 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 75.06 -59.97 0.53 Allowed 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 129.115 2.966 . . . . 0.0 112.602 -178.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 52.9 p-90 -164.61 8.62 0.04 OUTLIER 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.125 1.77 . . . . 0.0 111.476 -177.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -145.47 -172.47 3.89 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.97 1.308 . . . . 0.0 111.753 -172.158 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 19.9 p90 . . . . . 0 CA--C 1.539 0.551 0 C-N-CA 126.83 2.052 . . . . 0.0 114.728 -177.112 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.538 0.49 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.0 mpt_? 59.35 -82.67 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 128.867 2.867 . . . . 0.0 112.243 -175.165 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.6 p-90 -151.52 -23.95 0.2 Allowed 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 126.219 1.808 . . . . 0.0 110.599 -179.071 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -79.73 -170.85 2.57 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.267 1.427 . . . . 0.0 109.985 169.533 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 15.9 t90 . . . . . 0 CA--C 1.538 0.487 0 C-N-CA 125.003 1.321 . . . . 0.0 112.47 176.551 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 9.4 ptm85 . . . . . 0 N--CA 1.476 0.875 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 61.11 -61.84 0.08 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 129.667 3.187 . . . . 0.0 116.391 169.395 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 43.6 p-90 -147.54 4.22 0.77 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.204 1.802 . . . . 0.0 111.889 -172.374 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 8.7 p90 -144.61 -179.91 6.87 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.854 1.662 . . . . 0.0 110.473 176.598 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 6.3 p90 . . . . . 0 CA--C 1.543 0.684 0 C-N-CA 124.432 1.093 . . . . 0.0 113.667 -169.159 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 . . . . . 0 CA--C 1.537 0.459 0 N-CA-C 111.32 0.118 . . . . 0.0 111.32 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? 59.24 -80.45 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 128.659 2.784 . . . . 0.0 114.181 178.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 67.0 p-90 -134.79 4.82 3.33 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.177 1.791 . . . . 0.0 111.099 -169.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -138.3 175.09 9.87 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.813 1.645 . . . . 0.0 110.789 -177.319 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 40.6 p90 . . . . . 0 CA--C 1.542 0.637 0 C-N-CA 127.058 2.143 . . . . 0.0 114.777 -169.588 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 42.2 mtt-85 . . . . . 0 CA--C 1.534 0.35 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 52.12 -146.13 0.51 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.374 1.47 . . . . 0.0 112.315 174.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 36.9 p-90 -68.71 -0.29 5.13 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 127.006 2.122 . . . . 0.0 113.983 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -121.01 -175.77 3.12 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.035 1.734 . . . . 0.0 110.153 177.445 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.442 0 C-N-CA 123.304 0.642 . . . . 0.0 110.976 -177.165 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.538 0.503 0 N-CA-C 112.2 0.445 . . . . 0.0 112.2 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 64.4 mtm180 79.61 -66.57 0.16 Allowed 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 128.736 2.814 . . . . 0.0 108.221 -169.229 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 61.0 p-90 -165.18 -20.42 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 128.63 2.772 . . . . 0.0 109.144 170.314 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -60.58 176.4 0.38 Allowed 'General case' 0 C--N 1.347 0.479 0 C-N-CA 127.581 2.353 . . . . 0.0 112.817 173.578 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 6.0 p90 . . . . . 0 CA--C 1.544 0.718 0 C-N-CA 126.29 1.836 . . . . 0.0 113.342 169.53 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 . . . . . 0 CA--C 1.541 0.601 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 79.4 mtp85 -25.99 -52.37 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 130.186 3.394 . . . . 0.0 116.919 -170.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 38.9 p-90 -149.12 10.19 0.78 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.592 1.557 . . . . 0.0 111.18 -175.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.5 p90 -143.06 -164.05 1.77 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.389 1.876 . . . . 0.0 109.738 -174.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 19.6 t90 -45.73 121.12 2.94 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.932 1.693 . . . . 0.0 112.439 177.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 . . . . . 0 CA--C 1.543 0.689 0 C-N-CA 128.32 2.648 . . . . 0.0 116.354 -179.655 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.538 0.503 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 76.35 -68.01 0.2 Allowed 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 129.309 3.043 . . . . 0.0 111.609 -171.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 56.5 p-90 -164.73 2.85 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.115 1.366 . . . . 0.0 112.21 -174.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -121.07 -162.53 0.97 Allowed 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.13 1.372 . . . . 0.0 111.319 -172.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 10.1 p90 -51.77 -13.84 0.3 Allowed 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 127.834 2.454 . . . . 0.0 116.148 -172.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 50.8 ttp180 . . . . . 0 CA--C 1.535 0.387 0 C-N-CA 125.55 1.54 . . . . 0.0 110.459 -172.774 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 6' ' ' ARG . 0.4 OUTLIER . . . . . 0 CA--C 1.538 0.49 0 CA-C-O 120.53 0.205 . . . . 0.0 110.994 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 56.38 -76.41 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 129.21 3.004 . . . . 0.0 115.337 171.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 39.9 p-90 -151.55 5.12 0.44 Allowed 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.662 1.585 . . . . 0.0 112.297 -172.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 16.7 p90 -119.36 -159.56 0.77 Allowed 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.778 1.631 . . . . 0.0 110.946 -171.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 8.3 p90 -52.42 -13.85 0.41 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 127.425 2.29 . . . . 0.0 115.602 -175.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.404 ' HD3' HH11 ' A' ' 1' ' ' ARG . 57.2 ttt85 . . . . . 0 CA--C 1.54 0.59 0 C-N-CA 124.108 0.963 . . . . 0.0 111.192 -175.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? . . . . . 0 CA--C 1.543 0.676 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? 79.75 -64.72 0.21 Allowed 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 129.306 3.042 . . . . 0.0 112.059 177.062 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 52.7 p-90 -163.08 6.91 0.05 OUTLIER 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.909 1.684 . . . . 0.0 111.332 -177.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 30.8 p90 -140.66 -173.71 3.77 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.868 1.667 . . . . 0.0 110.304 -177.131 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 7.5 p90 -60.32 -10.82 5.18 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 -172.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 38.2 ttp180 . . . . . 0 CA--C 1.538 0.497 0 C-N-CA 125.816 1.646 . . . . 0.0 108.407 -174.754 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.539 0.529 0 N-CA-C 113.333 0.864 . . . . 0.0 113.333 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 75.06 -59.97 0.53 Allowed 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 129.115 2.966 . . . . 0.0 112.602 -178.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 52.9 p-90 -164.61 8.62 0.04 OUTLIER 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.125 1.77 . . . . 0.0 111.476 -177.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -145.47 -172.47 3.89 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.97 1.308 . . . . 0.0 111.753 -172.158 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 19.9 p90 -56.59 -11.56 1.38 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.83 2.052 . . . . 0.0 114.728 -177.112 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 55.6 ttt85 . . . . . 0 CA--C 1.539 0.538 0 C-N-CA 126.056 1.742 . . . . 0.0 108.0 -176.597 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.538 0.49 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.0 mpt_? 59.35 -82.67 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 128.867 2.867 . . . . 0.0 112.243 -175.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.6 p-90 -151.52 -23.95 0.2 Allowed 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 126.219 1.808 . . . . 0.0 110.599 -179.071 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -79.73 -170.85 2.57 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.267 1.427 . . . . 0.0 109.985 169.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 15.9 t90 -50.34 126.75 15.72 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.003 1.321 . . . . 0.0 112.47 176.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.54 0.565 0 C-N-CA 128.363 2.665 . . . . 0.0 115.739 170.227 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 9.4 ptm85 . . . . . 0 N--CA 1.476 0.875 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 61.11 -61.84 0.08 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 129.667 3.187 . . . . 0.0 116.391 169.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 43.6 p-90 -147.54 4.22 0.77 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.204 1.802 . . . . 0.0 111.889 -172.374 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 8.7 p90 -144.61 -179.91 6.87 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.854 1.662 . . . . 0.0 110.473 176.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 6.3 p90 -55.4 -37.21 67.32 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.432 1.093 . . . . 0.0 113.667 -169.159 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.535 0.371 0 C-N-CA 126.408 1.883 . . . . 0.0 115.108 178.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 . . . . . 0 CA--C 1.537 0.459 0 N-CA-C 111.32 0.118 . . . . 0.0 111.32 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? 59.24 -80.45 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 128.659 2.784 . . . . 0.0 114.181 178.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 67.0 p-90 -134.79 4.82 3.33 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.177 1.791 . . . . 0.0 111.099 -169.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -138.3 175.09 9.87 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.813 1.645 . . . . 0.0 110.789 -177.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 40.6 p90 -47.63 -39.54 17.29 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 127.058 2.143 . . . . 0.0 114.777 -169.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 52.8 ttt85 . . . . . 0 CA--C 1.537 0.455 0 C-N-CA 125.813 1.645 . . . . 0.0 113.97 177.651 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 42.2 mtt-85 . . . . . 0 CA--C 1.534 0.35 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 52.12 -146.13 0.51 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.374 1.47 . . . . 0.0 112.315 174.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 36.9 p-90 -68.71 -0.29 5.13 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 127.006 2.122 . . . . 0.0 113.983 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -121.01 -175.77 3.12 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.035 1.734 . . . . 0.0 110.153 177.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.02 139.94 57.95 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.304 0.642 . . . . 0.0 110.976 -177.165 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 53.8 ttp85 . . . . . 0 CA--C 1.544 0.738 0 C-N-CA 128.146 2.578 . . . . 0.0 115.771 176.961 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.538 0.503 0 N-CA-C 112.2 0.445 . . . . 0.0 112.2 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 64.4 mtm180 79.61 -66.57 0.16 Allowed 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 128.736 2.814 . . . . 0.0 108.221 -169.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 61.0 p-90 -165.18 -20.42 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 128.63 2.772 . . . . 0.0 109.144 170.314 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -60.58 176.4 0.38 Allowed 'General case' 0 C--N 1.347 0.479 0 C-N-CA 127.581 2.353 . . . . 0.0 112.817 173.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 6.0 p90 -57.57 -13.54 3.94 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.29 1.836 . . . . 0.0 113.342 169.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 51.1 ttp180 . . . . . 0 CA--C 1.535 0.375 0 C-N-CA 127.157 2.183 . . . . 0.0 107.722 -174.742 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 . . . . . 0 CA--C 1.541 0.601 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 79.4 mtp85 -25.99 -52.37 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 130.186 3.394 . . . . 0.0 116.919 -170.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 38.9 p-90 -149.12 10.19 0.78 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.592 1.557 . . . . 0.0 111.18 -175.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.5 p90 -143.06 -164.05 1.77 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.389 1.876 . . . . 0.0 109.738 -174.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 19.6 t90 . . . . . 0 CA--C 1.535 0.367 0 C-N-CA 125.932 1.693 . . . . 0.0 112.439 177.151 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.538 0.503 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 76.35 -68.01 0.2 Allowed 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 129.309 3.043 . . . . 0.0 111.609 -171.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 56.5 p-90 -164.73 2.85 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.115 1.366 . . . . 0.0 112.21 -174.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -121.07 -162.53 0.97 Allowed 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.13 1.372 . . . . 0.0 111.319 -172.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 10.1 p90 . . . . . 0 CA--C 1.544 0.724 0 C-N-CA 127.834 2.454 . . . . 0.0 116.148 -172.518 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.538 0.49 0 CA-C-O 120.53 0.205 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 56.38 -76.41 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 129.21 3.004 . . . . 0.0 115.337 171.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 39.9 p-90 -151.55 5.12 0.44 Allowed 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.662 1.585 . . . . 0.0 112.297 -172.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 16.7 p90 -119.36 -159.56 0.77 Allowed 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.778 1.631 . . . . 0.0 110.946 -171.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 8.3 p90 . . . . . 0 CA--C 1.542 0.657 0 C-N-CA 127.425 2.29 . . . . 0.0 115.602 -175.542 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? . . . . . 0 CA--C 1.543 0.676 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? 79.75 -64.72 0.21 Allowed 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 129.306 3.042 . . . . 0.0 112.059 177.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 52.7 p-90 -163.08 6.91 0.05 OUTLIER 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.909 1.684 . . . . 0.0 111.332 -177.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 30.8 p90 -140.66 -173.71 3.77 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.868 1.667 . . . . 0.0 110.304 -177.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 7.5 p90 . . . . . 0 CA--C 1.54 0.592 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 -172.504 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.539 0.529 0 N-CA-C 113.333 0.864 . . . . 0.0 113.333 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 75.06 -59.97 0.53 Allowed 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 129.115 2.966 . . . . 0.0 112.602 -178.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 52.9 p-90 -164.61 8.62 0.04 OUTLIER 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.125 1.77 . . . . 0.0 111.476 -177.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -145.47 -172.47 3.89 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.97 1.308 . . . . 0.0 111.753 -172.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 19.9 p90 . . . . . 0 CA--C 1.539 0.551 0 C-N-CA 126.83 2.052 . . . . 0.0 114.728 -177.112 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.538 0.49 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.0 mpt_? 59.35 -82.67 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 128.867 2.867 . . . . 0.0 112.243 -175.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.6 p-90 -151.52 -23.95 0.2 Allowed 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 126.219 1.808 . . . . 0.0 110.599 -179.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -79.73 -170.85 2.57 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.267 1.427 . . . . 0.0 109.985 169.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 15.9 t90 . . . . . 0 CA--C 1.538 0.487 0 C-N-CA 125.003 1.321 . . . . 0.0 112.47 176.551 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 9.4 ptm85 . . . . . 0 N--CA 1.476 0.875 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 61.11 -61.84 0.08 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 129.667 3.187 . . . . 0.0 116.391 169.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 43.6 p-90 -147.54 4.22 0.77 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.204 1.802 . . . . 0.0 111.889 -172.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 8.7 p90 -144.61 -179.91 6.87 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.854 1.662 . . . . 0.0 110.473 176.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 6.3 p90 . . . . . 0 CA--C 1.543 0.684 0 C-N-CA 124.432 1.093 . . . . 0.0 113.667 -169.159 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 . . . . . 0 CA--C 1.537 0.459 0 N-CA-C 111.32 0.118 . . . . 0.0 111.32 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? 59.24 -80.45 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 128.659 2.784 . . . . 0.0 114.181 178.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 67.0 p-90 -134.79 4.82 3.33 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.177 1.791 . . . . 0.0 111.099 -169.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -138.3 175.09 9.87 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.813 1.645 . . . . 0.0 110.789 -177.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 40.6 p90 . . . . . 0 CA--C 1.542 0.637 0 C-N-CA 127.058 2.143 . . . . 0.0 114.777 -169.588 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 42.2 mtt-85 . . . . . 0 CA--C 1.534 0.35 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 52.12 -146.13 0.51 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.374 1.47 . . . . 0.0 112.315 174.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 36.9 p-90 -68.71 -0.29 5.13 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 127.006 2.122 . . . . 0.0 113.983 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -121.01 -175.77 3.12 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.035 1.734 . . . . 0.0 110.153 177.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.442 0 C-N-CA 123.304 0.642 . . . . 0.0 110.976 -177.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.538 0.503 0 N-CA-C 112.2 0.445 . . . . 0.0 112.2 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 64.4 mtm180 79.61 -66.57 0.16 Allowed 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 128.736 2.814 . . . . 0.0 108.221 -169.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 61.0 p-90 -165.18 -20.42 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 128.63 2.772 . . . . 0.0 109.144 170.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -60.58 176.4 0.38 Allowed 'General case' 0 C--N 1.347 0.479 0 C-N-CA 127.581 2.353 . . . . 0.0 112.817 173.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 6.0 p90 . . . . . 0 CA--C 1.544 0.718 0 C-N-CA 126.29 1.836 . . . . 0.0 113.342 169.53 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 . . . . . 0 CA--C 1.541 0.601 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 79.4 mtp85 -25.99 -52.37 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 130.186 3.394 . . . . 0.0 116.919 -170.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 38.9 p-90 -149.12 10.19 0.78 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.592 1.557 . . . . 0.0 111.18 -175.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.5 p90 -143.06 -164.05 1.77 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.389 1.876 . . . . 0.0 109.738 -174.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 19.6 t90 -45.73 121.12 2.94 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.932 1.693 . . . . 0.0 112.439 177.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 . . . . . 0 CA--C 1.543 0.689 0 C-N-CA 128.32 2.648 . . . . 0.0 116.354 -179.655 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.538 0.503 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 76.35 -68.01 0.2 Allowed 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 129.309 3.043 . . . . 0.0 111.609 -171.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 56.5 p-90 -164.73 2.85 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.115 1.366 . . . . 0.0 112.21 -174.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -121.07 -162.53 0.97 Allowed 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.13 1.372 . . . . 0.0 111.319 -172.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 10.1 p90 -51.77 -13.84 0.3 Allowed 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 127.834 2.454 . . . . 0.0 116.148 -172.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 50.8 ttp180 . . . . . 0 CA--C 1.535 0.387 0 C-N-CA 125.55 1.54 . . . . 0.0 110.459 -172.774 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 6' ' ' ARG . 0.4 OUTLIER . . . . . 0 CA--C 1.538 0.49 0 CA-C-O 120.53 0.205 . . . . 0.0 110.994 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 56.38 -76.41 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 129.21 3.004 . . . . 0.0 115.337 171.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 39.9 p-90 -151.55 5.12 0.44 Allowed 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.662 1.585 . . . . 0.0 112.297 -172.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 16.7 p90 -119.36 -159.56 0.77 Allowed 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.778 1.631 . . . . 0.0 110.946 -171.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 8.3 p90 -52.42 -13.85 0.41 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 127.425 2.29 . . . . 0.0 115.602 -175.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.404 ' HD3' HH11 ' A' ' 1' ' ' ARG . 57.2 ttt85 . . . . . 0 CA--C 1.54 0.59 0 C-N-CA 124.108 0.963 . . . . 0.0 111.192 -175.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? . . . . . 0 CA--C 1.543 0.676 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? 79.75 -64.72 0.21 Allowed 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 129.306 3.042 . . . . 0.0 112.059 177.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 52.7 p-90 -163.08 6.91 0.05 OUTLIER 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.909 1.684 . . . . 0.0 111.332 -177.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 30.8 p90 -140.66 -173.71 3.77 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.868 1.667 . . . . 0.0 110.304 -177.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 7.5 p90 -60.32 -10.82 5.18 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 -172.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 38.2 ttp180 . . . . . 0 CA--C 1.538 0.497 0 C-N-CA 125.816 1.646 . . . . 0.0 108.407 -174.754 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.539 0.529 0 N-CA-C 113.333 0.864 . . . . 0.0 113.333 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 75.06 -59.97 0.53 Allowed 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 129.115 2.966 . . . . 0.0 112.602 -178.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 52.9 p-90 -164.61 8.62 0.04 OUTLIER 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.125 1.77 . . . . 0.0 111.476 -177.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -145.47 -172.47 3.89 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.97 1.308 . . . . 0.0 111.753 -172.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 19.9 p90 -56.59 -11.56 1.38 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.83 2.052 . . . . 0.0 114.728 -177.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 55.6 ttt85 . . . . . 0 CA--C 1.539 0.538 0 C-N-CA 126.056 1.742 . . . . 0.0 108.0 -176.597 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.538 0.49 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.0 mpt_? 59.35 -82.67 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 128.867 2.867 . . . . 0.0 112.243 -175.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.6 p-90 -151.52 -23.95 0.2 Allowed 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 126.219 1.808 . . . . 0.0 110.599 -179.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -79.73 -170.85 2.57 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.267 1.427 . . . . 0.0 109.985 169.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 15.9 t90 -50.34 126.75 15.72 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.003 1.321 . . . . 0.0 112.47 176.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.54 0.565 0 C-N-CA 128.363 2.665 . . . . 0.0 115.739 170.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 9.4 ptm85 . . . . . 0 N--CA 1.476 0.875 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 61.11 -61.84 0.08 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 129.667 3.187 . . . . 0.0 116.391 169.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 43.6 p-90 -147.54 4.22 0.77 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.204 1.802 . . . . 0.0 111.889 -172.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 8.7 p90 -144.61 -179.91 6.87 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.854 1.662 . . . . 0.0 110.473 176.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 6.3 p90 -55.4 -37.21 67.32 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.432 1.093 . . . . 0.0 113.667 -169.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.535 0.371 0 C-N-CA 126.408 1.883 . . . . 0.0 115.108 178.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 . . . . . 0 CA--C 1.537 0.459 0 N-CA-C 111.32 0.118 . . . . 0.0 111.32 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? 59.24 -80.45 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 128.659 2.784 . . . . 0.0 114.181 178.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 67.0 p-90 -134.79 4.82 3.33 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.177 1.791 . . . . 0.0 111.099 -169.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -138.3 175.09 9.87 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.813 1.645 . . . . 0.0 110.789 -177.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 40.6 p90 -47.63 -39.54 17.29 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 127.058 2.143 . . . . 0.0 114.777 -169.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 52.8 ttt85 . . . . . 0 CA--C 1.537 0.455 0 C-N-CA 125.813 1.645 . . . . 0.0 113.97 177.651 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 42.2 mtt-85 . . . . . 0 CA--C 1.534 0.35 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 52.12 -146.13 0.51 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.374 1.47 . . . . 0.0 112.315 174.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 36.9 p-90 -68.71 -0.29 5.13 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 127.006 2.122 . . . . 0.0 113.983 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -121.01 -175.77 3.12 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.035 1.734 . . . . 0.0 110.153 177.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.02 139.94 57.95 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.304 0.642 . . . . 0.0 110.976 -177.165 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 53.8 ttp85 . . . . . 0 CA--C 1.544 0.738 0 C-N-CA 128.146 2.578 . . . . 0.0 115.771 176.961 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.538 0.503 0 N-CA-C 112.2 0.445 . . . . 0.0 112.2 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 64.4 mtm180 79.61 -66.57 0.16 Allowed 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 128.736 2.814 . . . . 0.0 108.221 -169.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 61.0 p-90 -165.18 -20.42 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 128.63 2.772 . . . . 0.0 109.144 170.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -60.58 176.4 0.38 Allowed 'General case' 0 C--N 1.347 0.479 0 C-N-CA 127.581 2.353 . . . . 0.0 112.817 173.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 6.0 p90 -57.57 -13.54 3.94 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.29 1.836 . . . . 0.0 113.342 169.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 51.1 ttp180 . . . . . 0 CA--C 1.535 0.375 0 C-N-CA 127.157 2.183 . . . . 0.0 107.722 -174.742 . . . . . . . . 0 0 . 1 stop_ save_