data_1xv7_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 1xv7 _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' ' ' PHE . . . . . . . . . . . . . 51.7 p90 . . . . . 0 CA--C 1.561 1.383 0 CA-C-O 120.84 0.352 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -88.96 82.89 6.62 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.568 -1.333 . . . . 0.0 110.991 178.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 3.6 m0 -84.18 123.36 30.01 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.524 -0.735 . . . . 0.0 112.369 -176.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.19 72.51 9.25 Favored 'General case' 0 CA--C 1.569 1.699 0 CA-C-O 121.848 0.832 . . . . 0.0 113.171 -179.184 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? 58.89 57.86 3.44 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 177.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 60.74 93.69 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.906 0 C-N-CA 123.898 0.879 . . . . 0.0 112.727 -169.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 39.5 mt -58.63 -61.79 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.197 0 O-C-N 121.612 -0.68 . . . . 0.0 112.716 -175.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.288 49.8 ttt180 . . . . . 0 CA--C 1.581 2.172 0 N-CA-C 117.979 2.585 . . . . 0.0 117.979 176.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.563 1.452 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -85.47 44.21 1.08 Allowed 'General case' 0 N--CA 1.501 2.081 0 N-CA-C 115.729 1.751 . . . . 0.0 115.729 175.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -150.67 153.21 35.19 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.707 -1.246 . . . . 0.0 110.133 174.478 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -159.82 -60.95 0.07 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.827 -1.171 . . . . 0.0 111.886 169.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 54.77 17.7 1.85 Allowed 'General case' 0 CA--C 1.58 2.134 0 N-CA-C 118.825 2.898 . . . . 0.0 118.825 179.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . 0.292 4.3 m120 54.83 67.99 0.93 Allowed 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 115.702 1.742 . . . . 0.0 115.702 -164.554 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 41.4 mt -82.88 -87.94 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 1.996 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 173.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.2 mtm105 . . . . . 0 N--CA 1.497 1.886 0 CA-C-N 119.734 1.152 . . . . 0.0 110.799 -177.745 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.488 1.46 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . 0.251 79.0 mt-30 60.07 70.09 0.65 Allowed 'General case' 0 N--CA 1.5 2.048 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 -170.234 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 5.6 m0 -90.88 82.12 5.68 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.252 -0.905 . . . . 0.0 110.551 175.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.74 150.12 43.01 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 123.675 0.79 . . . . 0.0 110.886 -178.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 71.7 94.24 0.08 Allowed 'General case' 0 N--CA 1.499 2.01 0 C-N-CA 124.224 1.01 . . . . 0.0 112.152 -175.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 67.96 77.26 0.25 Allowed 'General case' 0 N--CA 1.497 1.878 0 C-N-CA 124.013 0.925 . . . . 0.0 112.668 -177.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.1 tp -60.78 -41.81 89.9 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.161 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 178.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 . . . . . 0 CA--C 1.571 1.781 0 C-N-CA 123.573 0.749 . . . . 0.0 111.916 167.559 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . 0.301 23.1 p90 . . . . . 0 CA--C 1.566 1.593 0 N-CA-C 111.521 0.193 . . . . 0.0 111.521 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -107.47 -51.81 2.86 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 124.819 1.248 . . . . 0.0 111.888 170.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . 0.306 7.2 m0 69.48 -161.25 0.17 Allowed 'General case' 0 CA--C 1.574 1.878 0 C-N-CA 124.707 1.203 . . . . 0.0 112.185 -171.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -72.75 130.44 40.51 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 119.788 -1.82 . . . . 0.0 110.928 166.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 23.4 ptt85 -48.89 -32.06 8.29 Favored 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 118.242 2.682 . . . . 0.0 118.242 170.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -103.31 44.62 1.0 Allowed 'General case' 0 CA--C 1.577 1.994 0 N-CA-C 113.537 0.939 . . . . 0.0 113.537 171.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.254 13.6 tt -84.14 55.69 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.342 0 O-C-N 119.733 -1.855 . . . . 0.0 113.406 179.252 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.7 ppt_? . . . . . 0 N--CA 1.495 1.799 0 O-C-N 120.785 -1.197 . . . . 0.0 112.963 -173.426 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 1.4 p90 . . . . . 0 CA--C 1.562 1.43 0 CA-C-O 120.673 0.273 . . . . 0.0 111.487 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 -103.72 127.28 51.2 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.471 -0.768 . . . . 0.0 110.551 171.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 26.6 m0 -89.9 120.08 30.82 Favored 'General case' 0 N--CA 1.485 1.283 0 O-C-N 121.653 -0.654 . . . . 0.0 110.187 170.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.8 tp60 -61.98 153.73 28.59 Favored 'General case' 0 CA--C 1.568 1.647 0 N-CA-C 113.948 1.092 . . . . 0.0 113.948 -178.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 23.2 ptt180 -40.96 -42.93 1.99 Allowed 'General case' 0 N--CA 1.505 2.286 0 N-CA-C 118.408 2.744 . . . . 0.0 118.408 177.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -130.86 115.64 16.85 Favored 'General case' 0 CA--C 1.559 1.315 0 N-CA-C 104.939 -2.245 . . . . 0.0 104.939 158.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.4 mt -63.61 -75.99 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.116 0 O-C-N 121.567 -0.708 . . . . 0.0 109.961 170.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 27.6 ttt85 . . . . . 0 CA--C 1.575 1.913 0 N-CA-C 116.92 2.193 . . . . 0.0 116.92 -174.895 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 . . . . . 0 N--CA 1.497 1.895 0 N-CA-C 116.562 2.06 . . . . 0.0 116.562 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . 0.288 1.2 mp0 54.35 44.33 29.12 Favored 'General case' 0 N--CA 1.503 2.206 0 N-CA-C 115.618 1.711 . . . . 0.0 115.618 -162.575 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -82.26 79.47 8.73 Favored 'General case' 0 CA--C 1.562 1.437 0 C-N-CA 124.478 1.111 . . . . 0.0 113.069 -176.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -119.33 -74.21 0.62 Allowed 'General case' 0 N--CA 1.488 1.464 0 CA-C-O 118.615 -0.707 . . . . 0.0 110.659 -175.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 64.4 mtt85 -138.99 59.79 1.61 Allowed 'General case' 0 N--CA 1.499 1.981 0 CA-C-N 120.081 1.31 . . . . 0.0 112.822 175.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 -162.19 75.2 0.44 Allowed 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.128 -0.983 . . . . 0.0 110.17 169.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.1 mt -132.21 89.41 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.089 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 176.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 . . . . . 0 CA--C 1.579 2.063 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 173.624 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 44.5 p90 . . . . . 0 CA--C 1.561 1.386 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -103.3 78.16 1.59 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.476 -0.765 . . . . 0.0 110.307 175.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 18.6 m0 -98.75 97.58 8.8 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.355 -0.84 . . . . 0.0 110.268 178.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -84.12 59.96 5.62 Favored 'General case' 0 CA--C 1.573 1.845 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 178.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.306 19.9 ptt180 43.92 40.96 3.57 Favored 'General case' 0 N--CA 1.502 2.171 0 N-CA-C 119.571 3.174 . . . . 0.0 119.571 -177.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 -142.41 85.61 1.91 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.244 -0.91 . . . . 0.0 109.03 -173.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.5 mp -131.85 -70.58 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.0 tpt85 . . . . . 0 N--CA 1.503 2.2 0 N-CA-C 117.218 2.303 . . . . 0.0 117.218 178.235 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 51.7 p90 . . . . . 0 CA--C 1.561 1.383 0 CA-C-O 120.84 0.352 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -88.96 82.89 6.62 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.568 -1.333 . . . . 0.0 110.991 178.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 3.6 m0 -84.18 123.36 30.01 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.524 -0.735 . . . . 0.0 112.369 -176.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.19 72.51 9.25 Favored 'General case' 0 CA--C 1.569 1.699 0 CA-C-O 121.848 0.832 . . . . 0.0 113.171 -179.184 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? 58.89 57.86 3.44 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 177.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 60.74 93.69 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.906 0 C-N-CA 123.898 0.879 . . . . 0.0 112.727 -169.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 39.5 mt -58.63 -61.79 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.197 0 O-C-N 121.612 -0.68 . . . . 0.0 112.716 -175.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.288 49.8 ttt180 47.28 41.86 12.76 Favored 'General case' 0 CA--C 1.581 2.172 0 N-CA-C 117.979 2.585 . . . . 0.0 117.979 176.126 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -137.53 45.55 2.17 Favored 'General case' 0 N--CA 1.5 2.068 0 C-N-CA 124.265 1.026 . . . . 0.0 111.469 177.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 13.8 p -166.14 -57.25 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 C-N-CA 125.049 1.339 . . . . 0.0 110.237 -173.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.4 mtm180 -131.07 114.94 15.78 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 175.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.426 0 O-C-N 118.782 -2.449 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.563 1.452 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -85.47 44.21 1.08 Allowed 'General case' 0 N--CA 1.501 2.081 0 N-CA-C 115.729 1.751 . . . . 0.0 115.729 175.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -150.67 153.21 35.19 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.707 -1.246 . . . . 0.0 110.133 174.478 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -159.82 -60.95 0.07 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.827 -1.171 . . . . 0.0 111.886 169.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 54.77 17.7 1.85 Allowed 'General case' 0 CA--C 1.58 2.134 0 N-CA-C 118.825 2.898 . . . . 0.0 118.825 179.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . 0.292 4.3 m120 54.83 67.99 0.93 Allowed 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 115.702 1.742 . . . . 0.0 115.702 -164.554 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 41.4 mt -82.88 -87.94 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 1.996 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 173.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.2 mtm105 -167.81 68.45 0.08 Allowed 'General case' 0 N--CA 1.497 1.886 0 CA-C-N 119.734 1.152 . . . . 0.0 110.799 -177.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -83.23 -44.03 15.44 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 114.81 1.411 . . . . 0.0 114.81 169.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 56.2 t -125.31 88.39 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 N-CA-C 106.351 -1.722 . . . . 0.0 106.351 -176.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.5 ttp85 -88.55 -56.79 3.16 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 177.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 O-C-N 118.351 -2.718 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.488 1.46 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . 0.251 79.0 mt-30 60.07 70.09 0.65 Allowed 'General case' 0 N--CA 1.5 2.048 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 -170.234 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 5.6 m0 -90.88 82.12 5.68 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.252 -0.905 . . . . 0.0 110.551 175.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.74 150.12 43.01 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 123.675 0.79 . . . . 0.0 110.886 -178.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 71.7 94.24 0.08 Allowed 'General case' 0 N--CA 1.499 2.01 0 C-N-CA 124.224 1.01 . . . . 0.0 112.152 -175.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 67.96 77.26 0.25 Allowed 'General case' 0 N--CA 1.497 1.878 0 C-N-CA 124.013 0.925 . . . . 0.0 112.668 -177.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.1 tp -60.78 -41.81 89.9 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.161 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 178.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 -98.44 58.74 1.27 Allowed 'General case' 0 CA--C 1.571 1.781 0 C-N-CA 123.573 0.749 . . . . 0.0 111.916 167.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.78 -39.16 66.98 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.805 -1.184 . . . . 0.0 114.072 168.105 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . 0.316 66.4 t 74.67 99.97 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 C-N-CA 124.785 1.234 . . . . 0.0 110.177 175.232 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 31.8 ptt180 -55.13 142.43 30.92 Favored 'General case' 0 CA--C 1.566 1.584 0 N-CA-C 116.389 1.996 . . . . 0.0 116.389 -177.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.451 0 O-C-N 118.997 -2.314 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . 0.301 23.1 p90 . . . . . 0 CA--C 1.566 1.593 0 N-CA-C 111.521 0.193 . . . . 0.0 111.521 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -107.47 -51.81 2.86 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 124.819 1.248 . . . . 0.0 111.888 170.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . 0.306 7.2 m0 69.48 -161.25 0.17 Allowed 'General case' 0 CA--C 1.574 1.878 0 C-N-CA 124.707 1.203 . . . . 0.0 112.185 -171.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -72.75 130.44 40.51 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 119.788 -1.82 . . . . 0.0 110.928 166.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 23.4 ptt85 -48.89 -32.06 8.29 Favored 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 118.242 2.682 . . . . 0.0 118.242 170.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -103.31 44.62 1.0 Allowed 'General case' 0 CA--C 1.577 1.994 0 N-CA-C 113.537 0.939 . . . . 0.0 113.537 171.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.254 13.6 tt -84.14 55.69 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.342 0 O-C-N 119.733 -1.855 . . . . 0.0 113.406 179.252 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.7 ppt_? -153.42 60.5 0.76 Allowed 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.785 -1.197 . . . . 0.0 112.963 -173.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp -137.73 34.65 2.43 Favored 'General case' 0 N--CA 1.502 2.134 0 N-CA-C 114.101 1.149 . . . . 0.0 114.101 176.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . 0.393 11.8 p 46.19 59.93 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.509 2.495 0 N-CA-C 115.648 1.722 . . . . 0.0 115.648 -179.424 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.2 mtt85 -161.22 118.64 2.31 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 -164.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.432 0 O-C-N 118.739 -2.475 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 1.4 p90 . . . . . 0 CA--C 1.562 1.43 0 CA-C-O 120.673 0.273 . . . . 0.0 111.487 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 -103.72 127.28 51.2 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.471 -0.768 . . . . 0.0 110.551 171.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 26.6 m0 -89.9 120.08 30.82 Favored 'General case' 0 N--CA 1.485 1.283 0 O-C-N 121.653 -0.654 . . . . 0.0 110.187 170.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.8 tp60 -61.98 153.73 28.59 Favored 'General case' 0 CA--C 1.568 1.647 0 N-CA-C 113.948 1.092 . . . . 0.0 113.948 -178.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 23.2 ptt180 -40.96 -42.93 1.99 Allowed 'General case' 0 N--CA 1.505 2.286 0 N-CA-C 118.408 2.744 . . . . 0.0 118.408 177.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -130.86 115.64 16.85 Favored 'General case' 0 CA--C 1.559 1.315 0 N-CA-C 104.939 -2.245 . . . . 0.0 104.939 158.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.4 mt -63.61 -75.99 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.116 0 O-C-N 121.567 -0.708 . . . . 0.0 109.961 170.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 27.6 ttt85 41.08 56.27 3.04 Favored 'General case' 0 CA--C 1.575 1.913 0 N-CA-C 116.92 2.193 . . . . 0.0 116.92 -174.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.7 mptt 64.07 32.04 13.06 Favored 'General case' 0 CA--C 1.582 2.208 0 N-CA-C 115.384 1.624 . . . . 0.0 115.384 -172.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . 0.438 5.6 p 40.12 62.22 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.253 0 N-CA-C 116.298 1.962 . . . . 0.0 116.298 -165.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -82.53 98.07 8.76 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 122.444 1.116 . . . . 0.0 112.59 -166.052 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.407 0 O-C-N 119.195 -2.191 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 . . . . . 0 N--CA 1.497 1.895 0 N-CA-C 116.562 2.06 . . . . 0.0 116.562 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . 0.288 1.2 mp0 54.35 44.33 29.12 Favored 'General case' 0 N--CA 1.503 2.206 0 N-CA-C 115.618 1.711 . . . . 0.0 115.618 -162.575 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -82.26 79.47 8.73 Favored 'General case' 0 CA--C 1.562 1.437 0 C-N-CA 124.478 1.111 . . . . 0.0 113.069 -176.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -119.33 -74.21 0.62 Allowed 'General case' 0 N--CA 1.488 1.464 0 CA-C-O 118.615 -0.707 . . . . 0.0 110.659 -175.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 64.4 mtt85 -138.99 59.79 1.61 Allowed 'General case' 0 N--CA 1.499 1.981 0 CA-C-N 120.081 1.31 . . . . 0.0 112.822 175.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 -162.19 75.2 0.44 Allowed 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.128 -0.983 . . . . 0.0 110.17 169.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.1 mt -132.21 89.41 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.089 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 176.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -137.21 38.59 2.51 Favored 'General case' 0 CA--C 1.579 2.063 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 173.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.1 57.9 1.79 Allowed 'General case' 0 N--CA 1.5 2.055 0 O-C-N 119.804 -1.81 . . . . 0.0 110.426 172.388 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . 0.263 10.2 p -156.74 -60.47 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 C-N-CA 124.274 1.03 . . . . 0.0 110.954 -177.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -77.62 -56.61 4.38 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 175.472 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.249 0 O-C-N 118.245 -2.785 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 44.5 p90 . . . . . 0 CA--C 1.561 1.386 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -103.3 78.16 1.59 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.476 -0.765 . . . . 0.0 110.307 175.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 18.6 m0 -98.75 97.58 8.8 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.355 -0.84 . . . . 0.0 110.268 178.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -84.12 59.96 5.62 Favored 'General case' 0 CA--C 1.573 1.845 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 178.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.306 19.9 ptt180 43.92 40.96 3.57 Favored 'General case' 0 N--CA 1.502 2.171 0 N-CA-C 119.571 3.174 . . . . 0.0 119.571 -177.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 -142.41 85.61 1.91 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.244 -0.91 . . . . 0.0 109.03 -173.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.5 mp -131.85 -70.58 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.0 tpt85 57.38 36.07 26.73 Favored 'General case' 0 N--CA 1.503 2.2 0 N-CA-C 117.218 2.303 . . . . 0.0 117.218 178.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 43.3 mttm -132.76 43.71 2.94 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.898 -1.126 . . . . 0.0 112.724 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 15.3 m -82.91 64.4 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.573 1.845 0 O-C-N 120.322 -1.486 . . . . 0.0 111.982 175.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -112.21 109.56 19.32 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-O 122.2 1.0 . . . . 0.0 109.819 -171.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 119.008 -2.308 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 51.7 p90 . . . . . 0 CA--C 1.561 1.383 0 CA-C-O 120.84 0.352 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -88.96 82.89 6.62 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.568 -1.333 . . . . 0.0 110.991 178.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 3.6 m0 -84.18 123.36 30.01 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.524 -0.735 . . . . 0.0 112.369 -176.528 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.19 72.51 9.25 Favored 'General case' 0 CA--C 1.569 1.699 0 CA-C-O 121.848 0.832 . . . . 0.0 113.171 -179.184 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? 58.89 57.86 3.44 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 177.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 60.74 93.69 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.906 0 C-N-CA 123.898 0.879 . . . . 0.0 112.727 -169.234 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 39.5 mt -58.63 -61.79 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.197 0 O-C-N 121.612 -0.68 . . . . 0.0 112.716 -175.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.288 49.8 ttt180 . . . . . 0 CA--C 1.581 2.172 0 N-CA-C 117.979 2.585 . . . . 0.0 117.979 176.126 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.563 1.452 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -85.47 44.21 1.08 Allowed 'General case' 0 N--CA 1.501 2.081 0 N-CA-C 115.729 1.751 . . . . 0.0 115.729 175.044 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -150.67 153.21 35.19 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.707 -1.246 . . . . 0.0 110.133 174.478 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -159.82 -60.95 0.07 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.827 -1.171 . . . . 0.0 111.886 169.69 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 54.77 17.7 1.85 Allowed 'General case' 0 CA--C 1.58 2.134 0 N-CA-C 118.825 2.898 . . . . 0.0 118.825 179.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . 0.292 4.3 m120 54.83 67.99 0.93 Allowed 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 115.702 1.742 . . . . 0.0 115.702 -164.554 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 41.4 mt -82.88 -87.94 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 1.996 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 173.037 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.2 mtm105 . . . . . 0 N--CA 1.497 1.886 0 CA-C-N 119.734 1.152 . . . . 0.0 110.799 -177.745 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.488 1.46 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . 0.251 79.0 mt-30 60.07 70.09 0.65 Allowed 'General case' 0 N--CA 1.5 2.048 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 -170.234 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 5.6 m0 -90.88 82.12 5.68 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.252 -0.905 . . . . 0.0 110.551 175.631 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.74 150.12 43.01 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 123.675 0.79 . . . . 0.0 110.886 -178.562 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 71.7 94.24 0.08 Allowed 'General case' 0 N--CA 1.499 2.01 0 C-N-CA 124.224 1.01 . . . . 0.0 112.152 -175.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 67.96 77.26 0.25 Allowed 'General case' 0 N--CA 1.497 1.878 0 C-N-CA 124.013 0.925 . . . . 0.0 112.668 -177.166 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.1 tp -60.78 -41.81 89.9 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.161 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 178.013 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 . . . . . 0 CA--C 1.571 1.781 0 C-N-CA 123.573 0.749 . . . . 0.0 111.916 167.559 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . 0.301 23.1 p90 . . . . . 0 CA--C 1.566 1.593 0 N-CA-C 111.521 0.193 . . . . 0.0 111.521 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -107.47 -51.81 2.86 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 124.819 1.248 . . . . 0.0 111.888 170.279 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . 0.306 7.2 m0 69.48 -161.25 0.17 Allowed 'General case' 0 CA--C 1.574 1.878 0 C-N-CA 124.707 1.203 . . . . 0.0 112.185 -171.746 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -72.75 130.44 40.51 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 119.788 -1.82 . . . . 0.0 110.928 166.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 23.4 ptt85 -48.89 -32.06 8.29 Favored 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 118.242 2.682 . . . . 0.0 118.242 170.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -103.31 44.62 1.0 Allowed 'General case' 0 CA--C 1.577 1.994 0 N-CA-C 113.537 0.939 . . . . 0.0 113.537 171.482 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.254 13.6 tt -84.14 55.69 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.342 0 O-C-N 119.733 -1.855 . . . . 0.0 113.406 179.252 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.7 ppt_? . . . . . 0 N--CA 1.495 1.799 0 O-C-N 120.785 -1.197 . . . . 0.0 112.963 -173.426 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 1.4 p90 . . . . . 0 CA--C 1.562 1.43 0 CA-C-O 120.673 0.273 . . . . 0.0 111.487 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 -103.72 127.28 51.2 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.471 -0.768 . . . . 0.0 110.551 171.054 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 26.6 m0 -89.9 120.08 30.82 Favored 'General case' 0 N--CA 1.485 1.283 0 O-C-N 121.653 -0.654 . . . . 0.0 110.187 170.507 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.8 tp60 -61.98 153.73 28.59 Favored 'General case' 0 CA--C 1.568 1.647 0 N-CA-C 113.948 1.092 . . . . 0.0 113.948 -178.466 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 23.2 ptt180 -40.96 -42.93 1.99 Allowed 'General case' 0 N--CA 1.505 2.286 0 N-CA-C 118.408 2.744 . . . . 0.0 118.408 177.761 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -130.86 115.64 16.85 Favored 'General case' 0 CA--C 1.559 1.315 0 N-CA-C 104.939 -2.245 . . . . 0.0 104.939 158.203 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.4 mt -63.61 -75.99 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.116 0 O-C-N 121.567 -0.708 . . . . 0.0 109.961 170.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 27.6 ttt85 . . . . . 0 CA--C 1.575 1.913 0 N-CA-C 116.92 2.193 . . . . 0.0 116.92 -174.895 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 . . . . . 0 N--CA 1.497 1.895 0 N-CA-C 116.562 2.06 . . . . 0.0 116.562 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . 0.288 1.2 mp0 54.35 44.33 29.12 Favored 'General case' 0 N--CA 1.503 2.206 0 N-CA-C 115.618 1.711 . . . . 0.0 115.618 -162.575 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -82.26 79.47 8.73 Favored 'General case' 0 CA--C 1.562 1.437 0 C-N-CA 124.478 1.111 . . . . 0.0 113.069 -176.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -119.33 -74.21 0.62 Allowed 'General case' 0 N--CA 1.488 1.464 0 CA-C-O 118.615 -0.707 . . . . 0.0 110.659 -175.63 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 64.4 mtt85 -138.99 59.79 1.61 Allowed 'General case' 0 N--CA 1.499 1.981 0 CA-C-N 120.081 1.31 . . . . 0.0 112.822 175.046 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 -162.19 75.2 0.44 Allowed 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.128 -0.983 . . . . 0.0 110.17 169.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.1 mt -132.21 89.41 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.089 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 176.644 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 . . . . . 0 CA--C 1.579 2.063 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 173.624 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 44.5 p90 . . . . . 0 CA--C 1.561 1.386 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -103.3 78.16 1.59 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.476 -0.765 . . . . 0.0 110.307 175.146 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 18.6 m0 -98.75 97.58 8.8 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.355 -0.84 . . . . 0.0 110.268 178.408 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -84.12 59.96 5.62 Favored 'General case' 0 CA--C 1.573 1.845 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 178.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.306 19.9 ptt180 43.92 40.96 3.57 Favored 'General case' 0 N--CA 1.502 2.171 0 N-CA-C 119.571 3.174 . . . . 0.0 119.571 -177.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 -142.41 85.61 1.91 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.244 -0.91 . . . . 0.0 109.03 -173.068 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.5 mp -131.85 -70.58 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.0 tpt85 . . . . . 0 N--CA 1.503 2.2 0 N-CA-C 117.218 2.303 . . . . 0.0 117.218 178.235 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 51.7 p90 . . . . . 0 CA--C 1.561 1.383 0 CA-C-O 120.84 0.352 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -88.96 82.89 6.62 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.568 -1.333 . . . . 0.0 110.991 178.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 3.6 m0 -84.18 123.36 30.01 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.524 -0.735 . . . . 0.0 112.369 -176.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.19 72.51 9.25 Favored 'General case' 0 CA--C 1.569 1.699 0 CA-C-O 121.848 0.832 . . . . 0.0 113.171 -179.184 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? 58.89 57.86 3.44 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 177.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 60.74 93.69 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.906 0 C-N-CA 123.898 0.879 . . . . 0.0 112.727 -169.234 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 39.5 mt -58.63 -61.79 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.197 0 O-C-N 121.612 -0.68 . . . . 0.0 112.716 -175.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.288 49.8 ttt180 47.28 41.86 12.76 Favored 'General case' 0 CA--C 1.581 2.172 0 N-CA-C 117.979 2.585 . . . . 0.0 117.979 176.126 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -137.53 45.55 2.17 Favored 'General case' 0 N--CA 1.5 2.068 0 C-N-CA 124.265 1.026 . . . . 0.0 111.469 177.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 13.8 p -166.14 -57.25 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 C-N-CA 125.049 1.339 . . . . 0.0 110.237 -173.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.4 mtm180 -131.07 114.94 15.78 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 175.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.426 0 O-C-N 118.782 -2.449 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.563 1.452 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -85.47 44.21 1.08 Allowed 'General case' 0 N--CA 1.501 2.081 0 N-CA-C 115.729 1.751 . . . . 0.0 115.729 175.044 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -150.67 153.21 35.19 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.707 -1.246 . . . . 0.0 110.133 174.478 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -159.82 -60.95 0.07 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.827 -1.171 . . . . 0.0 111.886 169.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 54.77 17.7 1.85 Allowed 'General case' 0 CA--C 1.58 2.134 0 N-CA-C 118.825 2.898 . . . . 0.0 118.825 179.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . 0.292 4.3 m120 54.83 67.99 0.93 Allowed 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 115.702 1.742 . . . . 0.0 115.702 -164.554 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 41.4 mt -82.88 -87.94 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 1.996 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 173.037 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.2 mtm105 -167.81 68.45 0.08 Allowed 'General case' 0 N--CA 1.497 1.886 0 CA-C-N 119.734 1.152 . . . . 0.0 110.799 -177.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -83.23 -44.03 15.44 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 114.81 1.411 . . . . 0.0 114.81 169.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 56.2 t -125.31 88.39 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 N-CA-C 106.351 -1.722 . . . . 0.0 106.351 -176.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.5 ttp85 -88.55 -56.79 3.16 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 177.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 O-C-N 118.351 -2.718 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.488 1.46 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . 0.251 79.0 mt-30 60.07 70.09 0.65 Allowed 'General case' 0 N--CA 1.5 2.048 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 -170.234 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 5.6 m0 -90.88 82.12 5.68 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.252 -0.905 . . . . 0.0 110.551 175.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.74 150.12 43.01 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 123.675 0.79 . . . . 0.0 110.886 -178.562 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 71.7 94.24 0.08 Allowed 'General case' 0 N--CA 1.499 2.01 0 C-N-CA 124.224 1.01 . . . . 0.0 112.152 -175.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 67.96 77.26 0.25 Allowed 'General case' 0 N--CA 1.497 1.878 0 C-N-CA 124.013 0.925 . . . . 0.0 112.668 -177.166 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.1 tp -60.78 -41.81 89.9 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.161 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 178.013 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 -98.44 58.74 1.27 Allowed 'General case' 0 CA--C 1.571 1.781 0 C-N-CA 123.573 0.749 . . . . 0.0 111.916 167.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.78 -39.16 66.98 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.805 -1.184 . . . . 0.0 114.072 168.105 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . 0.316 66.4 t 74.67 99.97 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 C-N-CA 124.785 1.234 . . . . 0.0 110.177 175.232 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 31.8 ptt180 -55.13 142.43 30.92 Favored 'General case' 0 CA--C 1.566 1.584 0 N-CA-C 116.389 1.996 . . . . 0.0 116.389 -177.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.451 0 O-C-N 118.997 -2.314 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . 0.301 23.1 p90 . . . . . 0 CA--C 1.566 1.593 0 N-CA-C 111.521 0.193 . . . . 0.0 111.521 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -107.47 -51.81 2.86 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 124.819 1.248 . . . . 0.0 111.888 170.279 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . 0.306 7.2 m0 69.48 -161.25 0.17 Allowed 'General case' 0 CA--C 1.574 1.878 0 C-N-CA 124.707 1.203 . . . . 0.0 112.185 -171.746 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -72.75 130.44 40.51 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 119.788 -1.82 . . . . 0.0 110.928 166.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 23.4 ptt85 -48.89 -32.06 8.29 Favored 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 118.242 2.682 . . . . 0.0 118.242 170.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -103.31 44.62 1.0 Allowed 'General case' 0 CA--C 1.577 1.994 0 N-CA-C 113.537 0.939 . . . . 0.0 113.537 171.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.254 13.6 tt -84.14 55.69 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.342 0 O-C-N 119.733 -1.855 . . . . 0.0 113.406 179.252 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.7 ppt_? -153.42 60.5 0.76 Allowed 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.785 -1.197 . . . . 0.0 112.963 -173.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp -137.73 34.65 2.43 Favored 'General case' 0 N--CA 1.502 2.134 0 N-CA-C 114.101 1.149 . . . . 0.0 114.101 176.281 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . 0.393 11.8 p 46.19 59.93 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.509 2.495 0 N-CA-C 115.648 1.722 . . . . 0.0 115.648 -179.424 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.2 mtt85 -161.22 118.64 2.31 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 -164.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.432 0 O-C-N 118.739 -2.475 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 1.4 p90 . . . . . 0 CA--C 1.562 1.43 0 CA-C-O 120.673 0.273 . . . . 0.0 111.487 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 -103.72 127.28 51.2 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.471 -0.768 . . . . 0.0 110.551 171.054 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 26.6 m0 -89.9 120.08 30.82 Favored 'General case' 0 N--CA 1.485 1.283 0 O-C-N 121.653 -0.654 . . . . 0.0 110.187 170.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.8 tp60 -61.98 153.73 28.59 Favored 'General case' 0 CA--C 1.568 1.647 0 N-CA-C 113.948 1.092 . . . . 0.0 113.948 -178.466 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 23.2 ptt180 -40.96 -42.93 1.99 Allowed 'General case' 0 N--CA 1.505 2.286 0 N-CA-C 118.408 2.744 . . . . 0.0 118.408 177.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -130.86 115.64 16.85 Favored 'General case' 0 CA--C 1.559 1.315 0 N-CA-C 104.939 -2.245 . . . . 0.0 104.939 158.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.4 mt -63.61 -75.99 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.116 0 O-C-N 121.567 -0.708 . . . . 0.0 109.961 170.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 27.6 ttt85 41.08 56.27 3.04 Favored 'General case' 0 CA--C 1.575 1.913 0 N-CA-C 116.92 2.193 . . . . 0.0 116.92 -174.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.7 mptt 64.07 32.04 13.06 Favored 'General case' 0 CA--C 1.582 2.208 0 N-CA-C 115.384 1.624 . . . . 0.0 115.384 -172.252 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . 0.438 5.6 p 40.12 62.22 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.253 0 N-CA-C 116.298 1.962 . . . . 0.0 116.298 -165.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -82.53 98.07 8.76 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 122.444 1.116 . . . . 0.0 112.59 -166.052 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.407 0 O-C-N 119.195 -2.191 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 . . . . . 0 N--CA 1.497 1.895 0 N-CA-C 116.562 2.06 . . . . 0.0 116.562 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . 0.288 1.2 mp0 54.35 44.33 29.12 Favored 'General case' 0 N--CA 1.503 2.206 0 N-CA-C 115.618 1.711 . . . . 0.0 115.618 -162.575 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -82.26 79.47 8.73 Favored 'General case' 0 CA--C 1.562 1.437 0 C-N-CA 124.478 1.111 . . . . 0.0 113.069 -176.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -119.33 -74.21 0.62 Allowed 'General case' 0 N--CA 1.488 1.464 0 CA-C-O 118.615 -0.707 . . . . 0.0 110.659 -175.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 64.4 mtt85 -138.99 59.79 1.61 Allowed 'General case' 0 N--CA 1.499 1.981 0 CA-C-N 120.081 1.31 . . . . 0.0 112.822 175.046 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 -162.19 75.2 0.44 Allowed 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.128 -0.983 . . . . 0.0 110.17 169.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.1 mt -132.21 89.41 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.089 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 176.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -137.21 38.59 2.51 Favored 'General case' 0 CA--C 1.579 2.063 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 173.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.1 57.9 1.79 Allowed 'General case' 0 N--CA 1.5 2.055 0 O-C-N 119.804 -1.81 . . . . 0.0 110.426 172.388 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . 0.263 10.2 p -156.74 -60.47 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 C-N-CA 124.274 1.03 . . . . 0.0 110.954 -177.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -77.62 -56.61 4.38 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 175.472 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.249 0 O-C-N 118.245 -2.785 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 44.5 p90 . . . . . 0 CA--C 1.561 1.386 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -103.3 78.16 1.59 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.476 -0.765 . . . . 0.0 110.307 175.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 18.6 m0 -98.75 97.58 8.8 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.355 -0.84 . . . . 0.0 110.268 178.408 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -84.12 59.96 5.62 Favored 'General case' 0 CA--C 1.573 1.845 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 178.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.306 19.9 ptt180 43.92 40.96 3.57 Favored 'General case' 0 N--CA 1.502 2.171 0 N-CA-C 119.571 3.174 . . . . 0.0 119.571 -177.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 -142.41 85.61 1.91 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.244 -0.91 . . . . 0.0 109.03 -173.068 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.5 mp -131.85 -70.58 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.0 tpt85 57.38 36.07 26.73 Favored 'General case' 0 N--CA 1.503 2.2 0 N-CA-C 117.218 2.303 . . . . 0.0 117.218 178.235 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 43.3 mttm -132.76 43.71 2.94 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.898 -1.126 . . . . 0.0 112.724 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 15.3 m -82.91 64.4 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.573 1.845 0 O-C-N 120.322 -1.486 . . . . 0.0 111.982 175.276 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -112.21 109.56 19.32 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-O 122.2 1.0 . . . . 0.0 109.819 -171.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 119.008 -2.308 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 51.7 p90 . . . . . 0 CA--C 1.561 1.383 0 CA-C-O 120.84 0.352 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -88.96 82.89 6.62 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.568 -1.333 . . . . 0.0 110.991 178.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 3.6 m0 -84.18 123.36 30.01 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.524 -0.735 . . . . 0.0 112.369 -176.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.19 72.51 9.25 Favored 'General case' 0 CA--C 1.569 1.699 0 CA-C-O 121.848 0.832 . . . . 0.0 113.171 -179.184 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? 58.89 57.86 3.44 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 177.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 60.74 93.69 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.906 0 C-N-CA 123.898 0.879 . . . . 0.0 112.727 -169.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 39.5 mt -58.63 -61.79 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.197 0 O-C-N 121.612 -0.68 . . . . 0.0 112.716 -175.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.288 49.8 ttt180 . . . . . 0 CA--C 1.581 2.172 0 N-CA-C 117.979 2.585 . . . . 0.0 117.979 176.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.563 1.452 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -85.47 44.21 1.08 Allowed 'General case' 0 N--CA 1.501 2.081 0 N-CA-C 115.729 1.751 . . . . 0.0 115.729 175.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -150.67 153.21 35.19 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.707 -1.246 . . . . 0.0 110.133 174.478 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -159.82 -60.95 0.07 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.827 -1.171 . . . . 0.0 111.886 169.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 54.77 17.7 1.85 Allowed 'General case' 0 CA--C 1.58 2.134 0 N-CA-C 118.825 2.898 . . . . 0.0 118.825 179.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . 0.292 4.3 m120 54.83 67.99 0.93 Allowed 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 115.702 1.742 . . . . 0.0 115.702 -164.554 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 41.4 mt -82.88 -87.94 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 1.996 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 173.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.2 mtm105 . . . . . 0 N--CA 1.497 1.886 0 CA-C-N 119.734 1.152 . . . . 0.0 110.799 -177.745 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.488 1.46 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . 0.251 79.0 mt-30 60.07 70.09 0.65 Allowed 'General case' 0 N--CA 1.5 2.048 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 -170.234 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 5.6 m0 -90.88 82.12 5.68 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.252 -0.905 . . . . 0.0 110.551 175.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.74 150.12 43.01 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 123.675 0.79 . . . . 0.0 110.886 -178.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 71.7 94.24 0.08 Allowed 'General case' 0 N--CA 1.499 2.01 0 C-N-CA 124.224 1.01 . . . . 0.0 112.152 -175.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 67.96 77.26 0.25 Allowed 'General case' 0 N--CA 1.497 1.878 0 C-N-CA 124.013 0.925 . . . . 0.0 112.668 -177.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.1 tp -60.78 -41.81 89.9 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.161 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 178.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 . . . . . 0 CA--C 1.571 1.781 0 C-N-CA 123.573 0.749 . . . . 0.0 111.916 167.559 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . 0.301 23.1 p90 . . . . . 0 CA--C 1.566 1.593 0 N-CA-C 111.521 0.193 . . . . 0.0 111.521 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -107.47 -51.81 2.86 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 124.819 1.248 . . . . 0.0 111.888 170.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . 0.306 7.2 m0 69.48 -161.25 0.17 Allowed 'General case' 0 CA--C 1.574 1.878 0 C-N-CA 124.707 1.203 . . . . 0.0 112.185 -171.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -72.75 130.44 40.51 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 119.788 -1.82 . . . . 0.0 110.928 166.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 23.4 ptt85 -48.89 -32.06 8.29 Favored 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 118.242 2.682 . . . . 0.0 118.242 170.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -103.31 44.62 1.0 Allowed 'General case' 0 CA--C 1.577 1.994 0 N-CA-C 113.537 0.939 . . . . 0.0 113.537 171.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.254 13.6 tt -84.14 55.69 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.342 0 O-C-N 119.733 -1.855 . . . . 0.0 113.406 179.252 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.7 ppt_? . . . . . 0 N--CA 1.495 1.799 0 O-C-N 120.785 -1.197 . . . . 0.0 112.963 -173.426 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 1.4 p90 . . . . . 0 CA--C 1.562 1.43 0 CA-C-O 120.673 0.273 . . . . 0.0 111.487 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 -103.72 127.28 51.2 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.471 -0.768 . . . . 0.0 110.551 171.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 26.6 m0 -89.9 120.08 30.82 Favored 'General case' 0 N--CA 1.485 1.283 0 O-C-N 121.653 -0.654 . . . . 0.0 110.187 170.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.8 tp60 -61.98 153.73 28.59 Favored 'General case' 0 CA--C 1.568 1.647 0 N-CA-C 113.948 1.092 . . . . 0.0 113.948 -178.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 23.2 ptt180 -40.96 -42.93 1.99 Allowed 'General case' 0 N--CA 1.505 2.286 0 N-CA-C 118.408 2.744 . . . . 0.0 118.408 177.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -130.86 115.64 16.85 Favored 'General case' 0 CA--C 1.559 1.315 0 N-CA-C 104.939 -2.245 . . . . 0.0 104.939 158.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.4 mt -63.61 -75.99 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.116 0 O-C-N 121.567 -0.708 . . . . 0.0 109.961 170.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 27.6 ttt85 . . . . . 0 CA--C 1.575 1.913 0 N-CA-C 116.92 2.193 . . . . 0.0 116.92 -174.895 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 . . . . . 0 N--CA 1.497 1.895 0 N-CA-C 116.562 2.06 . . . . 0.0 116.562 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . 0.288 1.2 mp0 54.35 44.33 29.12 Favored 'General case' 0 N--CA 1.503 2.206 0 N-CA-C 115.618 1.711 . . . . 0.0 115.618 -162.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -82.26 79.47 8.73 Favored 'General case' 0 CA--C 1.562 1.437 0 C-N-CA 124.478 1.111 . . . . 0.0 113.069 -176.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -119.33 -74.21 0.62 Allowed 'General case' 0 N--CA 1.488 1.464 0 CA-C-O 118.615 -0.707 . . . . 0.0 110.659 -175.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 64.4 mtt85 -138.99 59.79 1.61 Allowed 'General case' 0 N--CA 1.499 1.981 0 CA-C-N 120.081 1.31 . . . . 0.0 112.822 175.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 -162.19 75.2 0.44 Allowed 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.128 -0.983 . . . . 0.0 110.17 169.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.1 mt -132.21 89.41 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.089 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 176.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 . . . . . 0 CA--C 1.579 2.063 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 173.624 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 44.5 p90 . . . . . 0 CA--C 1.561 1.386 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -103.3 78.16 1.59 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.476 -0.765 . . . . 0.0 110.307 175.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 18.6 m0 -98.75 97.58 8.8 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.355 -0.84 . . . . 0.0 110.268 178.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -84.12 59.96 5.62 Favored 'General case' 0 CA--C 1.573 1.845 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 178.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.306 19.9 ptt180 43.92 40.96 3.57 Favored 'General case' 0 N--CA 1.502 2.171 0 N-CA-C 119.571 3.174 . . . . 0.0 119.571 -177.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 -142.41 85.61 1.91 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.244 -0.91 . . . . 0.0 109.03 -173.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.5 mp -131.85 -70.58 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.0 tpt85 . . . . . 0 N--CA 1.503 2.2 0 N-CA-C 117.218 2.303 . . . . 0.0 117.218 178.235 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 51.7 p90 . . . . . 0 CA--C 1.561 1.383 0 CA-C-O 120.84 0.352 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -88.96 82.89 6.62 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.568 -1.333 . . . . 0.0 110.991 178.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 3.6 m0 -84.18 123.36 30.01 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.524 -0.735 . . . . 0.0 112.369 -176.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.19 72.51 9.25 Favored 'General case' 0 CA--C 1.569 1.699 0 CA-C-O 121.848 0.832 . . . . 0.0 113.171 -179.184 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? 58.89 57.86 3.44 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 177.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 60.74 93.69 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.906 0 C-N-CA 123.898 0.879 . . . . 0.0 112.727 -169.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 39.5 mt -58.63 -61.79 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.197 0 O-C-N 121.612 -0.68 . . . . 0.0 112.716 -175.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.288 49.8 ttt180 47.28 41.86 12.76 Favored 'General case' 0 CA--C 1.581 2.172 0 N-CA-C 117.979 2.585 . . . . 0.0 117.979 176.126 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -137.53 45.55 2.17 Favored 'General case' 0 N--CA 1.5 2.068 0 C-N-CA 124.265 1.026 . . . . 0.0 111.469 177.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 13.8 p -166.14 -57.25 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 C-N-CA 125.049 1.339 . . . . 0.0 110.237 -173.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.4 mtm180 -131.07 114.94 15.78 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 175.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.426 0 O-C-N 118.782 -2.449 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.563 1.452 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -85.47 44.21 1.08 Allowed 'General case' 0 N--CA 1.501 2.081 0 N-CA-C 115.729 1.751 . . . . 0.0 115.729 175.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -150.67 153.21 35.19 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.707 -1.246 . . . . 0.0 110.133 174.478 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -159.82 -60.95 0.07 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.827 -1.171 . . . . 0.0 111.886 169.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 54.77 17.7 1.85 Allowed 'General case' 0 CA--C 1.58 2.134 0 N-CA-C 118.825 2.898 . . . . 0.0 118.825 179.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . 0.292 4.3 m120 54.83 67.99 0.93 Allowed 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 115.702 1.742 . . . . 0.0 115.702 -164.554 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 41.4 mt -82.88 -87.94 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 1.996 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 173.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.2 mtm105 -167.81 68.45 0.08 Allowed 'General case' 0 N--CA 1.497 1.886 0 CA-C-N 119.734 1.152 . . . . 0.0 110.799 -177.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -83.23 -44.03 15.44 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 114.81 1.411 . . . . 0.0 114.81 169.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 56.2 t -125.31 88.39 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 N-CA-C 106.351 -1.722 . . . . 0.0 106.351 -176.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.5 ttp85 -88.55 -56.79 3.16 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 177.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 O-C-N 118.351 -2.718 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.488 1.46 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . 0.251 79.0 mt-30 60.07 70.09 0.65 Allowed 'General case' 0 N--CA 1.5 2.048 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 -170.234 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 5.6 m0 -90.88 82.12 5.68 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.252 -0.905 . . . . 0.0 110.551 175.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.74 150.12 43.01 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 123.675 0.79 . . . . 0.0 110.886 -178.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 71.7 94.24 0.08 Allowed 'General case' 0 N--CA 1.499 2.01 0 C-N-CA 124.224 1.01 . . . . 0.0 112.152 -175.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 67.96 77.26 0.25 Allowed 'General case' 0 N--CA 1.497 1.878 0 C-N-CA 124.013 0.925 . . . . 0.0 112.668 -177.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.1 tp -60.78 -41.81 89.9 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.161 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 178.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 -98.44 58.74 1.27 Allowed 'General case' 0 CA--C 1.571 1.781 0 C-N-CA 123.573 0.749 . . . . 0.0 111.916 167.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.78 -39.16 66.98 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.805 -1.184 . . . . 0.0 114.072 168.105 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . 0.316 66.4 t 74.67 99.97 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 C-N-CA 124.785 1.234 . . . . 0.0 110.177 175.232 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 31.8 ptt180 -55.13 142.43 30.92 Favored 'General case' 0 CA--C 1.566 1.584 0 N-CA-C 116.389 1.996 . . . . 0.0 116.389 -177.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.451 0 O-C-N 118.997 -2.314 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . 0.301 23.1 p90 . . . . . 0 CA--C 1.566 1.593 0 N-CA-C 111.521 0.193 . . . . 0.0 111.521 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -107.47 -51.81 2.86 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 124.819 1.248 . . . . 0.0 111.888 170.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . 0.306 7.2 m0 69.48 -161.25 0.17 Allowed 'General case' 0 CA--C 1.574 1.878 0 C-N-CA 124.707 1.203 . . . . 0.0 112.185 -171.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -72.75 130.44 40.51 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 119.788 -1.82 . . . . 0.0 110.928 166.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 23.4 ptt85 -48.89 -32.06 8.29 Favored 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 118.242 2.682 . . . . 0.0 118.242 170.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -103.31 44.62 1.0 Allowed 'General case' 0 CA--C 1.577 1.994 0 N-CA-C 113.537 0.939 . . . . 0.0 113.537 171.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.254 13.6 tt -84.14 55.69 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.342 0 O-C-N 119.733 -1.855 . . . . 0.0 113.406 179.252 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.7 ppt_? -153.42 60.5 0.76 Allowed 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.785 -1.197 . . . . 0.0 112.963 -173.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp -137.73 34.65 2.43 Favored 'General case' 0 N--CA 1.502 2.134 0 N-CA-C 114.101 1.149 . . . . 0.0 114.101 176.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . 0.393 11.8 p 46.19 59.93 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.509 2.495 0 N-CA-C 115.648 1.722 . . . . 0.0 115.648 -179.424 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.2 mtt85 -161.22 118.64 2.31 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 -164.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.432 0 O-C-N 118.739 -2.475 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 1.4 p90 . . . . . 0 CA--C 1.562 1.43 0 CA-C-O 120.673 0.273 . . . . 0.0 111.487 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 -103.72 127.28 51.2 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.471 -0.768 . . . . 0.0 110.551 171.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 26.6 m0 -89.9 120.08 30.82 Favored 'General case' 0 N--CA 1.485 1.283 0 O-C-N 121.653 -0.654 . . . . 0.0 110.187 170.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.8 tp60 -61.98 153.73 28.59 Favored 'General case' 0 CA--C 1.568 1.647 0 N-CA-C 113.948 1.092 . . . . 0.0 113.948 -178.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 23.2 ptt180 -40.96 -42.93 1.99 Allowed 'General case' 0 N--CA 1.505 2.286 0 N-CA-C 118.408 2.744 . . . . 0.0 118.408 177.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -130.86 115.64 16.85 Favored 'General case' 0 CA--C 1.559 1.315 0 N-CA-C 104.939 -2.245 . . . . 0.0 104.939 158.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.4 mt -63.61 -75.99 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.116 0 O-C-N 121.567 -0.708 . . . . 0.0 109.961 170.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 27.6 ttt85 41.08 56.27 3.04 Favored 'General case' 0 CA--C 1.575 1.913 0 N-CA-C 116.92 2.193 . . . . 0.0 116.92 -174.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.7 mptt 64.07 32.04 13.06 Favored 'General case' 0 CA--C 1.582 2.208 0 N-CA-C 115.384 1.624 . . . . 0.0 115.384 -172.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . 0.438 5.6 p 40.12 62.22 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.253 0 N-CA-C 116.298 1.962 . . . . 0.0 116.298 -165.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -82.53 98.07 8.76 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 122.444 1.116 . . . . 0.0 112.59 -166.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.407 0 O-C-N 119.195 -2.191 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 . . . . . 0 N--CA 1.497 1.895 0 N-CA-C 116.562 2.06 . . . . 0.0 116.562 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . 0.288 1.2 mp0 54.35 44.33 29.12 Favored 'General case' 0 N--CA 1.503 2.206 0 N-CA-C 115.618 1.711 . . . . 0.0 115.618 -162.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -82.26 79.47 8.73 Favored 'General case' 0 CA--C 1.562 1.437 0 C-N-CA 124.478 1.111 . . . . 0.0 113.069 -176.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -119.33 -74.21 0.62 Allowed 'General case' 0 N--CA 1.488 1.464 0 CA-C-O 118.615 -0.707 . . . . 0.0 110.659 -175.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 64.4 mtt85 -138.99 59.79 1.61 Allowed 'General case' 0 N--CA 1.499 1.981 0 CA-C-N 120.081 1.31 . . . . 0.0 112.822 175.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 -162.19 75.2 0.44 Allowed 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.128 -0.983 . . . . 0.0 110.17 169.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.1 mt -132.21 89.41 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.089 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 176.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -137.21 38.59 2.51 Favored 'General case' 0 CA--C 1.579 2.063 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 173.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.1 57.9 1.79 Allowed 'General case' 0 N--CA 1.5 2.055 0 O-C-N 119.804 -1.81 . . . . 0.0 110.426 172.388 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . 0.263 10.2 p -156.74 -60.47 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 C-N-CA 124.274 1.03 . . . . 0.0 110.954 -177.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -77.62 -56.61 4.38 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 175.472 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.249 0 O-C-N 118.245 -2.785 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 44.5 p90 . . . . . 0 CA--C 1.561 1.386 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -103.3 78.16 1.59 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.476 -0.765 . . . . 0.0 110.307 175.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 18.6 m0 -98.75 97.58 8.8 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.355 -0.84 . . . . 0.0 110.268 178.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -84.12 59.96 5.62 Favored 'General case' 0 CA--C 1.573 1.845 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 178.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.306 19.9 ptt180 43.92 40.96 3.57 Favored 'General case' 0 N--CA 1.502 2.171 0 N-CA-C 119.571 3.174 . . . . 0.0 119.571 -177.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 -142.41 85.61 1.91 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.244 -0.91 . . . . 0.0 109.03 -173.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.5 mp -131.85 -70.58 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.0 tpt85 57.38 36.07 26.73 Favored 'General case' 0 N--CA 1.503 2.2 0 N-CA-C 117.218 2.303 . . . . 0.0 117.218 178.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 43.3 mttm -132.76 43.71 2.94 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.898 -1.126 . . . . 0.0 112.724 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 15.3 m -82.91 64.4 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.573 1.845 0 O-C-N 120.322 -1.486 . . . . 0.0 111.982 175.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -112.21 109.56 19.32 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-O 122.2 1.0 . . . . 0.0 109.819 -171.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 119.008 -2.308 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_