data_1ski_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 1ski _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 76.4 mtp85 . . . . . 0 CA--C 1.538 0.493 0 N-CA-C 112.948 0.722 . . . . 0.0 112.948 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 76.2 mtm-85 -134.23 27.21 3.82 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.148 1.379 . . . . 0.0 111.654 -175.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -157.61 177.49 11.34 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 128.767 2.827 . . . . 0.0 108.476 -168.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 48.7 t80 3.13 -91.04 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 129.294 3.038 . . . . 0.0 115.433 -174.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 85.7 mtt-85 -133.54 43.76 2.86 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.731 2.013 . . . . 0.0 110.404 177.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 . . . . . 0 CA--C 1.543 0.71 0 C-N-CA 127.204 2.202 . . . . 0.0 108.547 -174.13 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 47.6 mtm105 . . . . . 0 CA--C 1.535 0.388 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 46.7 mtm105 -129.01 26.13 5.52 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.452 1.501 . . . . 0.0 110.917 -171.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -155.92 170.77 21.35 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.833 2.053 . . . . 0.0 108.397 -169.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 37.8 t80 4.53 -90.47 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 129.385 3.074 . . . . 0.0 116.191 169.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 27.1 mtp-105 -130.06 42.87 3.21 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.955 1.702 . . . . 0.0 110.055 -179.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 . . . . . 0 N--CA 1.444 -0.774 0 C-N-CA 128.181 2.592 . . . . 0.0 107.679 -175.162 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 27.1 mtp-105 . . . . . 0 CA--C 1.535 0.379 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 45.1 mtm105 -136.19 29.83 3.03 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.598 1.559 . . . . 0.0 111.17 -171.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -157.48 174.53 15.24 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 128.047 2.539 . . . . 0.0 107.935 -168.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 49.7 t80 5.69 -92.09 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 129.584 3.153 . . . . 0.0 115.302 175.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 28.4 mtp-105 -133.47 42.97 2.95 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.098 1.759 . . . . 0.0 110.86 178.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 . . . . . 0 CA--C 1.54 0.585 0 C-N-CA 127.142 2.177 . . . . 0.0 108.622 -175.998 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 29.5 mtp-105 . . . . . 0 CA--C 1.536 0.409 0 N-CA-C 113.156 0.798 . . . . 0.0 113.156 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -128.62 24.46 5.77 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.405 1.482 . . . . 0.0 110.955 -171.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -157.85 174.11 15.77 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.848 1.659 . . . . 0.0 109.094 -168.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 15.3 t80 1.34 -88.04 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 129.552 3.141 . . . . 0.0 116.646 172.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 43.0 mtm105 -130.41 44.21 3.0 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.826 1.65 . . . . 0.0 109.799 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 . . . . . 0 N--CA 1.443 -0.808 0 C-N-CA 128.223 2.609 . . . . 0.0 107.818 -171.961 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 . . . . . 0 CA--C 1.539 0.541 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 39.3 mtm105 -122.43 16.82 10.52 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.117 0.967 . . . . 0.0 113.51 -171.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -152.94 174.89 13.56 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 128.595 2.758 . . . . 0.0 108.348 -174.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 42.0 t80 4.06 -91.43 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 129.399 3.08 . . . . 0.0 115.88 -175.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -131.73 47.36 2.54 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.938 1.695 . . . . 0.0 109.307 179.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 . . . . . 0 N--CA 1.444 -0.761 0 C-N-CA 129.212 3.005 . . . . 0.0 106.761 -178.233 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 78.6 mtp85 . . . . . 0 CA--C 1.539 0.521 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 82.4 mtt85 -127.53 20.54 6.67 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.446 1.098 . . . . 0.0 113.106 -172.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -154.72 171.19 19.95 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 128.886 2.874 . . . . 0.0 107.861 -173.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 49.6 t80 11.79 -95.93 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 129.42 3.088 . . . . 0.0 114.596 -174.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 74.5 mtt85 -132.86 46.66 2.59 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.443 1.497 . . . . 0.0 110.319 177.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 . . . . . 0 CA--C 1.544 0.74 0 C-N-CA 128.883 2.873 . . . . 0.0 107.35 179.948 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 . . . . . 0 CA--C 1.538 0.506 0 N-CA-C 113.11 0.781 . . . . 0.0 113.11 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 64.5 mtt85 -122.26 14.16 10.44 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.64 1.176 . . . . 0.0 113.075 -168.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -158.52 175.81 13.2 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 128.021 2.528 . . . . 0.0 108.424 -169.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 50.5 t80 10.31 -93.94 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 130.009 3.324 . . . . 0.0 115.211 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 32.4 mtp-105 -132.23 44.23 2.92 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.174 1.39 . . . . 0.0 110.031 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 . . . . . 0 N--CA 1.447 -0.593 0 C-N-CA 128.068 2.547 . . . . 0.0 107.617 -175.967 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 CA--C 1.536 0.422 0 N-CA-C 113.288 0.848 . . . . 0.0 113.288 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 41.6 ttp85 -128.27 20.1 6.32 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.331 1.452 . . . . 0.0 110.99 -169.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -157.43 179.72 8.98 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 127.298 2.239 . . . . 0.0 109.401 -167.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 33.6 t80 2.61 -91.84 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 129.764 3.225 . . . . 0.0 115.839 175.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -131.56 44.72 2.89 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.325 1.85 . . . . 0.0 109.331 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 . . . . . 0 N--CA 1.445 -0.683 0 C-N-CA 128.022 2.529 . . . . 0.0 107.941 -171.201 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 . . . . . 0 CA--C 1.539 0.541 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 82.0 mtt85 -135.37 30.38 3.24 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.52 1.528 . . . . 0.0 111.431 -173.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -156.33 173.79 16.35 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 129.512 3.125 . . . . 0.0 107.775 -169.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 54.3 t80 9.44 -94.82 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 129.652 3.181 . . . . 0.0 114.409 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 72.3 mtt85 -136.17 47.49 2.22 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 126.14 1.776 . . . . 0.0 109.4 176.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 . . . . . 0 CA--C 1.545 0.778 0 C-N-CA 128.578 2.751 . . . . 0.0 108.286 -174.133 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 . . . . . 0 CA--C 1.54 0.564 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 43.8 mtm105 -137.15 29.89 2.75 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.548 1.539 . . . . 0.0 111.787 -175.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -158.42 173.58 16.43 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 129.744 3.218 . . . . 0.0 107.776 -169.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 42.3 t80 15.08 -98.94 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 129.28 3.032 . . . . 0.0 114.299 -177.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 45.4 mtm105 -133.96 46.05 2.57 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.604 1.561 . . . . 0.0 109.688 174.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 . . . . . 0 CA--C 1.544 0.724 0 C-N-CA 128.497 2.719 . . . . 0.0 108.467 -172.445 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 76.4 mtp85 . . . . . 0 CA--C 1.538 0.493 0 N-CA-C 112.948 0.722 . . . . 0.0 112.948 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 76.2 mtm-85 -134.23 27.21 3.82 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.148 1.379 . . . . 0.0 111.654 -175.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -157.61 177.49 11.34 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 128.767 2.827 . . . . 0.0 108.476 -168.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 48.7 t80 3.13 -91.04 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 129.294 3.038 . . . . 0.0 115.433 -174.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 85.7 mtt-85 -133.54 43.76 2.86 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.731 2.013 . . . . 0.0 110.404 177.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 . . . . . 0 CA--C 1.543 0.71 0 C-N-CA 127.204 2.202 . . . . 0.0 108.547 -174.13 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 47.6 mtm105 . . . . . 0 CA--C 1.535 0.388 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 46.7 mtm105 -129.01 26.13 5.52 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.452 1.501 . . . . 0.0 110.917 -171.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -155.92 170.77 21.35 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.833 2.053 . . . . 0.0 108.397 -169.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 37.8 t80 4.53 -90.47 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 129.385 3.074 . . . . 0.0 116.191 169.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 27.1 mtp-105 -130.06 42.87 3.21 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.955 1.702 . . . . 0.0 110.055 -179.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 . . . . . 0 N--CA 1.444 -0.774 0 C-N-CA 128.181 2.592 . . . . 0.0 107.679 -175.162 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 27.1 mtp-105 . . . . . 0 CA--C 1.535 0.379 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 45.1 mtm105 -136.19 29.83 3.03 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.598 1.559 . . . . 0.0 111.17 -171.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -157.48 174.53 15.24 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 128.047 2.539 . . . . 0.0 107.935 -168.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 49.7 t80 5.69 -92.09 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 129.584 3.153 . . . . 0.0 115.302 175.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 28.4 mtp-105 -133.47 42.97 2.95 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.098 1.759 . . . . 0.0 110.86 178.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 . . . . . 0 CA--C 1.54 0.585 0 C-N-CA 127.142 2.177 . . . . 0.0 108.622 -175.998 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 29.5 mtp-105 . . . . . 0 CA--C 1.536 0.409 0 N-CA-C 113.156 0.798 . . . . 0.0 113.156 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -128.62 24.46 5.77 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.405 1.482 . . . . 0.0 110.955 -171.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -157.85 174.11 15.77 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.848 1.659 . . . . 0.0 109.094 -168.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 15.3 t80 1.34 -88.04 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 129.552 3.141 . . . . 0.0 116.646 172.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 43.0 mtm105 -130.41 44.21 3.0 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.826 1.65 . . . . 0.0 109.799 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 . . . . . 0 N--CA 1.443 -0.808 0 C-N-CA 128.223 2.609 . . . . 0.0 107.818 -171.961 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 . . . . . 0 CA--C 1.539 0.541 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 39.3 mtm105 -122.43 16.82 10.52 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.117 0.967 . . . . 0.0 113.51 -171.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -152.94 174.89 13.56 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 128.595 2.758 . . . . 0.0 108.348 -174.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 42.0 t80 4.06 -91.43 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 129.399 3.08 . . . . 0.0 115.88 -175.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -131.73 47.36 2.54 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.938 1.695 . . . . 0.0 109.307 179.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 . . . . . 0 N--CA 1.444 -0.761 0 C-N-CA 129.212 3.005 . . . . 0.0 106.761 -178.233 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 78.6 mtp85 . . . . . 0 CA--C 1.539 0.521 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 82.4 mtt85 -127.53 20.54 6.67 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.446 1.098 . . . . 0.0 113.106 -172.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -154.72 171.19 19.95 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 128.886 2.874 . . . . 0.0 107.861 -173.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 49.6 t80 11.79 -95.93 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 129.42 3.088 . . . . 0.0 114.596 -174.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 74.5 mtt85 -132.86 46.66 2.59 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.443 1.497 . . . . 0.0 110.319 177.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 . . . . . 0 CA--C 1.544 0.74 0 C-N-CA 128.883 2.873 . . . . 0.0 107.35 179.948 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 . . . . . 0 CA--C 1.538 0.506 0 N-CA-C 113.11 0.781 . . . . 0.0 113.11 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 64.5 mtt85 -122.26 14.16 10.44 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.64 1.176 . . . . 0.0 113.075 -168.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -158.52 175.81 13.2 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 128.021 2.528 . . . . 0.0 108.424 -169.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 50.5 t80 10.31 -93.94 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 130.009 3.324 . . . . 0.0 115.211 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 32.4 mtp-105 -132.23 44.23 2.92 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.174 1.39 . . . . 0.0 110.031 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 . . . . . 0 N--CA 1.447 -0.593 0 C-N-CA 128.068 2.547 . . . . 0.0 107.617 -175.967 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 CA--C 1.536 0.422 0 N-CA-C 113.288 0.848 . . . . 0.0 113.288 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 41.6 ttp85 -128.27 20.1 6.32 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.331 1.452 . . . . 0.0 110.99 -169.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -157.43 179.72 8.98 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 127.298 2.239 . . . . 0.0 109.401 -167.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 33.6 t80 2.61 -91.84 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 129.764 3.225 . . . . 0.0 115.839 175.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -131.56 44.72 2.89 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.325 1.85 . . . . 0.0 109.331 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 . . . . . 0 N--CA 1.445 -0.683 0 C-N-CA 128.022 2.529 . . . . 0.0 107.941 -171.201 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 . . . . . 0 CA--C 1.539 0.541 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 82.0 mtt85 -135.37 30.38 3.24 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.52 1.528 . . . . 0.0 111.431 -173.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -156.33 173.79 16.35 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 129.512 3.125 . . . . 0.0 107.775 -169.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 54.3 t80 9.44 -94.82 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 129.652 3.181 . . . . 0.0 114.409 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 72.3 mtt85 -136.17 47.49 2.22 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 126.14 1.776 . . . . 0.0 109.4 176.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 . . . . . 0 CA--C 1.545 0.778 0 C-N-CA 128.578 2.751 . . . . 0.0 108.286 -174.133 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 . . . . . 0 CA--C 1.54 0.564 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 43.8 mtm105 -137.15 29.89 2.75 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.548 1.539 . . . . 0.0 111.787 -175.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -158.42 173.58 16.43 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 129.744 3.218 . . . . 0.0 107.776 -169.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 42.3 t80 15.08 -98.94 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 129.28 3.032 . . . . 0.0 114.299 -177.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 45.4 mtm105 -133.96 46.05 2.57 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.604 1.561 . . . . 0.0 109.688 174.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 . . . . . 0 CA--C 1.544 0.724 0 C-N-CA 128.497 2.719 . . . . 0.0 108.467 -172.445 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 76.4 mtp85 . . . . . 0 CA--C 1.538 0.493 0 N-CA-C 112.948 0.722 . . . . 0.0 112.948 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 76.2 mtm-85 -134.23 27.21 3.82 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.148 1.379 . . . . 0.0 111.654 -175.274 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -157.61 177.49 11.34 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 128.767 2.827 . . . . 0.0 108.476 -168.511 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 48.7 t80 3.13 -91.04 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 129.294 3.038 . . . . 0.0 115.433 -174.303 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 85.7 mtt-85 -133.54 43.76 2.86 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.731 2.013 . . . . 0.0 110.404 177.414 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 . . . . . 0 CA--C 1.543 0.71 0 C-N-CA 127.204 2.202 . . . . 0.0 108.547 -174.13 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 47.6 mtm105 . . . . . 0 CA--C 1.535 0.388 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 46.7 mtm105 -129.01 26.13 5.52 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.452 1.501 . . . . 0.0 110.917 -171.649 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -155.92 170.77 21.35 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.833 2.053 . . . . 0.0 108.397 -169.332 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 37.8 t80 4.53 -90.47 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 129.385 3.074 . . . . 0.0 116.191 169.738 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 27.1 mtp-105 -130.06 42.87 3.21 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.955 1.702 . . . . 0.0 110.055 -179.139 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 . . . . . 0 N--CA 1.444 -0.774 0 C-N-CA 128.181 2.592 . . . . 0.0 107.679 -175.162 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 27.1 mtp-105 . . . . . 0 CA--C 1.535 0.379 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 45.1 mtm105 -136.19 29.83 3.03 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.598 1.559 . . . . 0.0 111.17 -171.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -157.48 174.53 15.24 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 128.047 2.539 . . . . 0.0 107.935 -168.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 49.7 t80 5.69 -92.09 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 129.584 3.153 . . . . 0.0 115.302 175.003 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 28.4 mtp-105 -133.47 42.97 2.95 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.098 1.759 . . . . 0.0 110.86 178.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 . . . . . 0 CA--C 1.54 0.585 0 C-N-CA 127.142 2.177 . . . . 0.0 108.622 -175.998 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 29.5 mtp-105 . . . . . 0 CA--C 1.536 0.409 0 N-CA-C 113.156 0.798 . . . . 0.0 113.156 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -128.62 24.46 5.77 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.405 1.482 . . . . 0.0 110.955 -171.218 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -157.85 174.11 15.77 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.848 1.659 . . . . 0.0 109.094 -168.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 15.3 t80 1.34 -88.04 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 129.552 3.141 . . . . 0.0 116.646 172.048 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 43.0 mtm105 -130.41 44.21 3.0 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.826 1.65 . . . . 0.0 109.799 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 . . . . . 0 N--CA 1.443 -0.808 0 C-N-CA 128.223 2.609 . . . . 0.0 107.818 -171.961 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 . . . . . 0 CA--C 1.539 0.541 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 39.3 mtm105 -122.43 16.82 10.52 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.117 0.967 . . . . 0.0 113.51 -171.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -152.94 174.89 13.56 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 128.595 2.758 . . . . 0.0 108.348 -174.383 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 42.0 t80 4.06 -91.43 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 129.399 3.08 . . . . 0.0 115.88 -175.379 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -131.73 47.36 2.54 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.938 1.695 . . . . 0.0 109.307 179.023 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 . . . . . 0 N--CA 1.444 -0.761 0 C-N-CA 129.212 3.005 . . . . 0.0 106.761 -178.233 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 78.6 mtp85 . . . . . 0 CA--C 1.539 0.521 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 82.4 mtt85 -127.53 20.54 6.67 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.446 1.098 . . . . 0.0 113.106 -172.132 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -154.72 171.19 19.95 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 128.886 2.874 . . . . 0.0 107.861 -173.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 49.6 t80 11.79 -95.93 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 129.42 3.088 . . . . 0.0 114.596 -174.488 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 74.5 mtt85 -132.86 46.66 2.59 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.443 1.497 . . . . 0.0 110.319 177.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 . . . . . 0 CA--C 1.544 0.74 0 C-N-CA 128.883 2.873 . . . . 0.0 107.35 179.948 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 . . . . . 0 CA--C 1.538 0.506 0 N-CA-C 113.11 0.781 . . . . 0.0 113.11 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 64.5 mtt85 -122.26 14.16 10.44 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.64 1.176 . . . . 0.0 113.075 -168.609 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -158.52 175.81 13.2 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 128.021 2.528 . . . . 0.0 108.424 -169.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 50.5 t80 10.31 -93.94 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 130.009 3.324 . . . . 0.0 115.211 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 32.4 mtp-105 -132.23 44.23 2.92 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.174 1.39 . . . . 0.0 110.031 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 . . . . . 0 N--CA 1.447 -0.593 0 C-N-CA 128.068 2.547 . . . . 0.0 107.617 -175.967 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 CA--C 1.536 0.422 0 N-CA-C 113.288 0.848 . . . . 0.0 113.288 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 41.6 ttp85 -128.27 20.1 6.32 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.331 1.452 . . . . 0.0 110.99 -169.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -157.43 179.72 8.98 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 127.298 2.239 . . . . 0.0 109.401 -167.65 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 33.6 t80 2.61 -91.84 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 129.764 3.225 . . . . 0.0 115.839 175.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -131.56 44.72 2.89 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.325 1.85 . . . . 0.0 109.331 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 . . . . . 0 N--CA 1.445 -0.683 0 C-N-CA 128.022 2.529 . . . . 0.0 107.941 -171.201 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 . . . . . 0 CA--C 1.539 0.541 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 82.0 mtt85 -135.37 30.38 3.24 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.52 1.528 . . . . 0.0 111.431 -173.391 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -156.33 173.79 16.35 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 129.512 3.125 . . . . 0.0 107.775 -169.254 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 54.3 t80 9.44 -94.82 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 129.652 3.181 . . . . 0.0 114.409 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 72.3 mtt85 -136.17 47.49 2.22 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 126.14 1.776 . . . . 0.0 109.4 176.425 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 . . . . . 0 CA--C 1.545 0.778 0 C-N-CA 128.578 2.751 . . . . 0.0 108.286 -174.133 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 . . . . . 0 CA--C 1.54 0.564 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 43.8 mtm105 -137.15 29.89 2.75 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.548 1.539 . . . . 0.0 111.787 -175.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -158.42 173.58 16.43 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 129.744 3.218 . . . . 0.0 107.776 -169.198 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 42.3 t80 15.08 -98.94 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 129.28 3.032 . . . . 0.0 114.299 -177.737 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 45.4 mtm105 -133.96 46.05 2.57 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.604 1.561 . . . . 0.0 109.688 174.675 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 . . . . . 0 CA--C 1.544 0.724 0 C-N-CA 128.497 2.719 . . . . 0.0 108.467 -172.445 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 76.4 mtp85 . . . . . 0 CA--C 1.538 0.493 0 N-CA-C 112.948 0.722 . . . . 0.0 112.948 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 76.2 mtm-85 -134.23 27.21 3.82 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.148 1.379 . . . . 0.0 111.654 -175.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -157.61 177.49 11.34 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 128.767 2.827 . . . . 0.0 108.476 -168.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 48.7 t80 3.13 -91.04 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 129.294 3.038 . . . . 0.0 115.433 -174.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 85.7 mtt-85 -133.54 43.76 2.86 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.731 2.013 . . . . 0.0 110.404 177.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 . . . . . 0 CA--C 1.543 0.71 0 C-N-CA 127.204 2.202 . . . . 0.0 108.547 -174.13 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 47.6 mtm105 . . . . . 0 CA--C 1.535 0.388 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 46.7 mtm105 -129.01 26.13 5.52 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.452 1.501 . . . . 0.0 110.917 -171.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -155.92 170.77 21.35 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.833 2.053 . . . . 0.0 108.397 -169.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 37.8 t80 4.53 -90.47 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 129.385 3.074 . . . . 0.0 116.191 169.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 27.1 mtp-105 -130.06 42.87 3.21 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.955 1.702 . . . . 0.0 110.055 -179.139 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 . . . . . 0 N--CA 1.444 -0.774 0 C-N-CA 128.181 2.592 . . . . 0.0 107.679 -175.162 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 27.1 mtp-105 . . . . . 0 CA--C 1.535 0.379 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 45.1 mtm105 -136.19 29.83 3.03 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.598 1.559 . . . . 0.0 111.17 -171.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -157.48 174.53 15.24 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 128.047 2.539 . . . . 0.0 107.935 -168.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 49.7 t80 5.69 -92.09 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 129.584 3.153 . . . . 0.0 115.302 175.003 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 28.4 mtp-105 -133.47 42.97 2.95 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.098 1.759 . . . . 0.0 110.86 178.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 . . . . . 0 CA--C 1.54 0.585 0 C-N-CA 127.142 2.177 . . . . 0.0 108.622 -175.998 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 29.5 mtp-105 . . . . . 0 CA--C 1.536 0.409 0 N-CA-C 113.156 0.798 . . . . 0.0 113.156 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -128.62 24.46 5.77 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.405 1.482 . . . . 0.0 110.955 -171.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -157.85 174.11 15.77 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.848 1.659 . . . . 0.0 109.094 -168.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 15.3 t80 1.34 -88.04 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 129.552 3.141 . . . . 0.0 116.646 172.048 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 43.0 mtm105 -130.41 44.21 3.0 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.826 1.65 . . . . 0.0 109.799 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 . . . . . 0 N--CA 1.443 -0.808 0 C-N-CA 128.223 2.609 . . . . 0.0 107.818 -171.961 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 . . . . . 0 CA--C 1.539 0.541 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 39.3 mtm105 -122.43 16.82 10.52 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.117 0.967 . . . . 0.0 113.51 -171.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -152.94 174.89 13.56 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 128.595 2.758 . . . . 0.0 108.348 -174.383 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 42.0 t80 4.06 -91.43 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 129.399 3.08 . . . . 0.0 115.88 -175.379 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -131.73 47.36 2.54 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.938 1.695 . . . . 0.0 109.307 179.023 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 . . . . . 0 N--CA 1.444 -0.761 0 C-N-CA 129.212 3.005 . . . . 0.0 106.761 -178.233 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 78.6 mtp85 . . . . . 0 CA--C 1.539 0.521 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 82.4 mtt85 -127.53 20.54 6.67 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.446 1.098 . . . . 0.0 113.106 -172.132 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -154.72 171.19 19.95 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 128.886 2.874 . . . . 0.0 107.861 -173.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 49.6 t80 11.79 -95.93 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 129.42 3.088 . . . . 0.0 114.596 -174.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 74.5 mtt85 -132.86 46.66 2.59 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.443 1.497 . . . . 0.0 110.319 177.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 . . . . . 0 CA--C 1.544 0.74 0 C-N-CA 128.883 2.873 . . . . 0.0 107.35 179.948 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 . . . . . 0 CA--C 1.538 0.506 0 N-CA-C 113.11 0.781 . . . . 0.0 113.11 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 64.5 mtt85 -122.26 14.16 10.44 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.64 1.176 . . . . 0.0 113.075 -168.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -158.52 175.81 13.2 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 128.021 2.528 . . . . 0.0 108.424 -169.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 50.5 t80 10.31 -93.94 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 130.009 3.324 . . . . 0.0 115.211 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 32.4 mtp-105 -132.23 44.23 2.92 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.174 1.39 . . . . 0.0 110.031 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 . . . . . 0 N--CA 1.447 -0.593 0 C-N-CA 128.068 2.547 . . . . 0.0 107.617 -175.967 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 CA--C 1.536 0.422 0 N-CA-C 113.288 0.848 . . . . 0.0 113.288 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 41.6 ttp85 -128.27 20.1 6.32 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.331 1.452 . . . . 0.0 110.99 -169.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -157.43 179.72 8.98 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 127.298 2.239 . . . . 0.0 109.401 -167.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 33.6 t80 2.61 -91.84 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 129.764 3.225 . . . . 0.0 115.839 175.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -131.56 44.72 2.89 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.325 1.85 . . . . 0.0 109.331 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 . . . . . 0 N--CA 1.445 -0.683 0 C-N-CA 128.022 2.529 . . . . 0.0 107.941 -171.201 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 . . . . . 0 CA--C 1.539 0.541 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 82.0 mtt85 -135.37 30.38 3.24 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.52 1.528 . . . . 0.0 111.431 -173.391 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -156.33 173.79 16.35 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 129.512 3.125 . . . . 0.0 107.775 -169.254 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 54.3 t80 9.44 -94.82 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 129.652 3.181 . . . . 0.0 114.409 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 72.3 mtt85 -136.17 47.49 2.22 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 126.14 1.776 . . . . 0.0 109.4 176.425 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 . . . . . 0 CA--C 1.545 0.778 0 C-N-CA 128.578 2.751 . . . . 0.0 108.286 -174.133 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 . . . . . 0 CA--C 1.54 0.564 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 43.8 mtm105 -137.15 29.89 2.75 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.548 1.539 . . . . 0.0 111.787 -175.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -158.42 173.58 16.43 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 129.744 3.218 . . . . 0.0 107.776 -169.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 42.3 t80 15.08 -98.94 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 129.28 3.032 . . . . 0.0 114.299 -177.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 45.4 mtm105 -133.96 46.05 2.57 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.604 1.561 . . . . 0.0 109.688 174.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 . . . . . 0 CA--C 1.544 0.724 0 C-N-CA 128.497 2.719 . . . . 0.0 108.467 -172.445 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 76.4 mtp85 . . . . . 0 CA--C 1.538 0.493 0 N-CA-C 112.948 0.722 . . . . 0.0 112.948 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 76.2 mtm-85 -134.23 27.21 3.82 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.148 1.379 . . . . 0.0 111.654 -175.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -157.61 177.49 11.34 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 128.767 2.827 . . . . 0.0 108.476 -168.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 48.7 t80 3.13 -91.04 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 129.294 3.038 . . . . 0.0 115.433 -174.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 85.7 mtt-85 -133.54 43.76 2.86 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.731 2.013 . . . . 0.0 110.404 177.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 . . . . . 0 CA--C 1.543 0.71 0 C-N-CA 127.204 2.202 . . . . 0.0 108.547 -174.13 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 47.6 mtm105 . . . . . 0 CA--C 1.535 0.388 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 46.7 mtm105 -129.01 26.13 5.52 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.452 1.501 . . . . 0.0 110.917 -171.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -155.92 170.77 21.35 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.833 2.053 . . . . 0.0 108.397 -169.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 37.8 t80 4.53 -90.47 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 129.385 3.074 . . . . 0.0 116.191 169.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 27.1 mtp-105 -130.06 42.87 3.21 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.955 1.702 . . . . 0.0 110.055 -179.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 . . . . . 0 N--CA 1.444 -0.774 0 C-N-CA 128.181 2.592 . . . . 0.0 107.679 -175.162 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 27.1 mtp-105 . . . . . 0 CA--C 1.535 0.379 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 45.1 mtm105 -136.19 29.83 3.03 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.598 1.559 . . . . 0.0 111.17 -171.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -157.48 174.53 15.24 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 128.047 2.539 . . . . 0.0 107.935 -168.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 49.7 t80 5.69 -92.09 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 129.584 3.153 . . . . 0.0 115.302 175.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 28.4 mtp-105 -133.47 42.97 2.95 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.098 1.759 . . . . 0.0 110.86 178.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 . . . . . 0 CA--C 1.54 0.585 0 C-N-CA 127.142 2.177 . . . . 0.0 108.622 -175.998 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 29.5 mtp-105 . . . . . 0 CA--C 1.536 0.409 0 N-CA-C 113.156 0.798 . . . . 0.0 113.156 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -128.62 24.46 5.77 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.405 1.482 . . . . 0.0 110.955 -171.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -157.85 174.11 15.77 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.848 1.659 . . . . 0.0 109.094 -168.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 15.3 t80 1.34 -88.04 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 129.552 3.141 . . . . 0.0 116.646 172.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 43.0 mtm105 -130.41 44.21 3.0 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.826 1.65 . . . . 0.0 109.799 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 . . . . . 0 N--CA 1.443 -0.808 0 C-N-CA 128.223 2.609 . . . . 0.0 107.818 -171.961 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 . . . . . 0 CA--C 1.539 0.541 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 39.3 mtm105 -122.43 16.82 10.52 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.117 0.967 . . . . 0.0 113.51 -171.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -152.94 174.89 13.56 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 128.595 2.758 . . . . 0.0 108.348 -174.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 42.0 t80 4.06 -91.43 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 129.399 3.08 . . . . 0.0 115.88 -175.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -131.73 47.36 2.54 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.938 1.695 . . . . 0.0 109.307 179.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 . . . . . 0 N--CA 1.444 -0.761 0 C-N-CA 129.212 3.005 . . . . 0.0 106.761 -178.233 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 78.6 mtp85 . . . . . 0 CA--C 1.539 0.521 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 82.4 mtt85 -127.53 20.54 6.67 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.446 1.098 . . . . 0.0 113.106 -172.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -154.72 171.19 19.95 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 128.886 2.874 . . . . 0.0 107.861 -173.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 49.6 t80 11.79 -95.93 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 129.42 3.088 . . . . 0.0 114.596 -174.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 74.5 mtt85 -132.86 46.66 2.59 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.443 1.497 . . . . 0.0 110.319 177.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 . . . . . 0 CA--C 1.544 0.74 0 C-N-CA 128.883 2.873 . . . . 0.0 107.35 179.948 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 . . . . . 0 CA--C 1.538 0.506 0 N-CA-C 113.11 0.781 . . . . 0.0 113.11 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 64.5 mtt85 -122.26 14.16 10.44 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.64 1.176 . . . . 0.0 113.075 -168.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -158.52 175.81 13.2 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 128.021 2.528 . . . . 0.0 108.424 -169.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 50.5 t80 10.31 -93.94 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 130.009 3.324 . . . . 0.0 115.211 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 32.4 mtp-105 -132.23 44.23 2.92 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.174 1.39 . . . . 0.0 110.031 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 . . . . . 0 N--CA 1.447 -0.593 0 C-N-CA 128.068 2.547 . . . . 0.0 107.617 -175.967 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 CA--C 1.536 0.422 0 N-CA-C 113.288 0.848 . . . . 0.0 113.288 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 41.6 ttp85 -128.27 20.1 6.32 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.331 1.452 . . . . 0.0 110.99 -169.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -157.43 179.72 8.98 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 127.298 2.239 . . . . 0.0 109.401 -167.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 33.6 t80 2.61 -91.84 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 129.764 3.225 . . . . 0.0 115.839 175.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -131.56 44.72 2.89 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.325 1.85 . . . . 0.0 109.331 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 . . . . . 0 N--CA 1.445 -0.683 0 C-N-CA 128.022 2.529 . . . . 0.0 107.941 -171.201 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 . . . . . 0 CA--C 1.539 0.541 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 82.0 mtt85 -135.37 30.38 3.24 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.52 1.528 . . . . 0.0 111.431 -173.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -156.33 173.79 16.35 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 129.512 3.125 . . . . 0.0 107.775 -169.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 54.3 t80 9.44 -94.82 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 129.652 3.181 . . . . 0.0 114.409 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 72.3 mtt85 -136.17 47.49 2.22 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 126.14 1.776 . . . . 0.0 109.4 176.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 . . . . . 0 CA--C 1.545 0.778 0 C-N-CA 128.578 2.751 . . . . 0.0 108.286 -174.133 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 . . . . . 0 CA--C 1.54 0.564 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 43.8 mtm105 -137.15 29.89 2.75 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.548 1.539 . . . . 0.0 111.787 -175.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -158.42 173.58 16.43 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 129.744 3.218 . . . . 0.0 107.776 -169.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 42.3 t80 15.08 -98.94 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 129.28 3.032 . . . . 0.0 114.299 -177.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 45.4 mtm105 -133.96 46.05 2.57 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.604 1.561 . . . . 0.0 109.688 174.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 . . . . . 0 CA--C 1.544 0.724 0 C-N-CA 128.497 2.719 . . . . 0.0 108.467 -172.445 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 76.4 mtp85 . . . . . 0 CA--C 1.538 0.493 0 N-CA-C 112.948 0.722 . . . . 0.0 112.948 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 76.2 mtm-85 -134.23 27.21 3.82 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.148 1.379 . . . . 0.0 111.654 -175.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -157.61 177.49 11.34 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 128.767 2.827 . . . . 0.0 108.476 -168.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 48.7 t80 3.13 -91.04 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 129.294 3.038 . . . . 0.0 115.433 -174.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 85.7 mtt-85 -133.54 43.76 2.86 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.731 2.013 . . . . 0.0 110.404 177.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 . . . . . 0 CA--C 1.543 0.71 0 C-N-CA 127.204 2.202 . . . . 0.0 108.547 -174.13 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 47.6 mtm105 . . . . . 0 CA--C 1.535 0.388 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 46.7 mtm105 -129.01 26.13 5.52 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.452 1.501 . . . . 0.0 110.917 -171.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -155.92 170.77 21.35 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.833 2.053 . . . . 0.0 108.397 -169.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 37.8 t80 4.53 -90.47 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 129.385 3.074 . . . . 0.0 116.191 169.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 27.1 mtp-105 -130.06 42.87 3.21 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.955 1.702 . . . . 0.0 110.055 -179.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 . . . . . 0 N--CA 1.444 -0.774 0 C-N-CA 128.181 2.592 . . . . 0.0 107.679 -175.162 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 27.1 mtp-105 . . . . . 0 CA--C 1.535 0.379 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 45.1 mtm105 -136.19 29.83 3.03 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.598 1.559 . . . . 0.0 111.17 -171.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -157.48 174.53 15.24 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 128.047 2.539 . . . . 0.0 107.935 -168.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 49.7 t80 5.69 -92.09 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 129.584 3.153 . . . . 0.0 115.302 175.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 28.4 mtp-105 -133.47 42.97 2.95 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.098 1.759 . . . . 0.0 110.86 178.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 . . . . . 0 CA--C 1.54 0.585 0 C-N-CA 127.142 2.177 . . . . 0.0 108.622 -175.998 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 29.5 mtp-105 . . . . . 0 CA--C 1.536 0.409 0 N-CA-C 113.156 0.798 . . . . 0.0 113.156 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -128.62 24.46 5.77 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.405 1.482 . . . . 0.0 110.955 -171.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -157.85 174.11 15.77 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.848 1.659 . . . . 0.0 109.094 -168.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 15.3 t80 1.34 -88.04 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 129.552 3.141 . . . . 0.0 116.646 172.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 43.0 mtm105 -130.41 44.21 3.0 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.826 1.65 . . . . 0.0 109.799 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 . . . . . 0 N--CA 1.443 -0.808 0 C-N-CA 128.223 2.609 . . . . 0.0 107.818 -171.961 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 . . . . . 0 CA--C 1.539 0.541 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 39.3 mtm105 -122.43 16.82 10.52 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.117 0.967 . . . . 0.0 113.51 -171.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -152.94 174.89 13.56 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 128.595 2.758 . . . . 0.0 108.348 -174.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 42.0 t80 4.06 -91.43 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 129.399 3.08 . . . . 0.0 115.88 -175.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -131.73 47.36 2.54 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.938 1.695 . . . . 0.0 109.307 179.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 . . . . . 0 N--CA 1.444 -0.761 0 C-N-CA 129.212 3.005 . . . . 0.0 106.761 -178.233 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 78.6 mtp85 . . . . . 0 CA--C 1.539 0.521 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 82.4 mtt85 -127.53 20.54 6.67 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.446 1.098 . . . . 0.0 113.106 -172.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -154.72 171.19 19.95 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 128.886 2.874 . . . . 0.0 107.861 -173.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 49.6 t80 11.79 -95.93 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 129.42 3.088 . . . . 0.0 114.596 -174.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 74.5 mtt85 -132.86 46.66 2.59 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.443 1.497 . . . . 0.0 110.319 177.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 . . . . . 0 CA--C 1.544 0.74 0 C-N-CA 128.883 2.873 . . . . 0.0 107.35 179.948 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 . . . . . 0 CA--C 1.538 0.506 0 N-CA-C 113.11 0.781 . . . . 0.0 113.11 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 64.5 mtt85 -122.26 14.16 10.44 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.64 1.176 . . . . 0.0 113.075 -168.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -158.52 175.81 13.2 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 128.021 2.528 . . . . 0.0 108.424 -169.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 50.5 t80 10.31 -93.94 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 130.009 3.324 . . . . 0.0 115.211 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 32.4 mtp-105 -132.23 44.23 2.92 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.174 1.39 . . . . 0.0 110.031 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 . . . . . 0 N--CA 1.447 -0.593 0 C-N-CA 128.068 2.547 . . . . 0.0 107.617 -175.967 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 CA--C 1.536 0.422 0 N-CA-C 113.288 0.848 . . . . 0.0 113.288 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 41.6 ttp85 -128.27 20.1 6.32 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.331 1.452 . . . . 0.0 110.99 -169.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -157.43 179.72 8.98 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 127.298 2.239 . . . . 0.0 109.401 -167.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 33.6 t80 2.61 -91.84 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 129.764 3.225 . . . . 0.0 115.839 175.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -131.56 44.72 2.89 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.325 1.85 . . . . 0.0 109.331 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 . . . . . 0 N--CA 1.445 -0.683 0 C-N-CA 128.022 2.529 . . . . 0.0 107.941 -171.201 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 . . . . . 0 CA--C 1.539 0.541 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 82.0 mtt85 -135.37 30.38 3.24 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.52 1.528 . . . . 0.0 111.431 -173.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -156.33 173.79 16.35 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 129.512 3.125 . . . . 0.0 107.775 -169.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 54.3 t80 9.44 -94.82 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 129.652 3.181 . . . . 0.0 114.409 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 72.3 mtt85 -136.17 47.49 2.22 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 126.14 1.776 . . . . 0.0 109.4 176.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 . . . . . 0 CA--C 1.545 0.778 0 C-N-CA 128.578 2.751 . . . . 0.0 108.286 -174.133 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 . . . . . 0 CA--C 1.54 0.564 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 43.8 mtm105 -137.15 29.89 2.75 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.548 1.539 . . . . 0.0 111.787 -175.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -158.42 173.58 16.43 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 129.744 3.218 . . . . 0.0 107.776 -169.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 42.3 t80 15.08 -98.94 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 129.28 3.032 . . . . 0.0 114.299 -177.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 45.4 mtm105 -133.96 46.05 2.57 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.604 1.561 . . . . 0.0 109.688 174.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 . . . . . 0 CA--C 1.544 0.724 0 C-N-CA 128.497 2.719 . . . . 0.0 108.467 -172.445 . . . . . . . . 0 0 . 1 stop_ save_