data_6nm3_residue ############################ # Computer software used # ############################ 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 6nm3 _Structure_validation_residue.Date_analyzed 2020-07-10 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 full ' A' A ' 1' ' ' ARG . . . . . 0.66 HH21 ' CG ' ' A' ' 1' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.736 ' C ' ' HE1' ' A' ' 5' ' ' TRP . 4.8 ttmm -170.28 -86.33 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.921 -0.311 . . . . 0.0 111.389 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.845 ' O ' ' NE1' ' A' ' 7' ' ' TRP . 2.6 pt -120.97 7.08 6.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.68 0.753 . . . . 0.0 110.069 -179.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.486 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 55.9 m95 -68.05 35.05 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.588 -1.187 . . . . 0.0 113.932 -178.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.742 ' CD1' ' N ' ' A' ' 5' ' ' TRP . 0.0 OUTLIER -129.07 -60.29 1.08 Allowed 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -178.145 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.546 ' C ' ' H ' ' A' ' 8' ' ' LEU . 4.0 p-90 -80.8 -69.61 0.59 Allowed 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 115.844 1.794 . . . . 0.0 115.844 -175.034 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.845 ' NE1' ' O ' ' A' ' 3' ' ' ILE . 66.1 p-90 -53.58 4.96 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 -176.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.594 HD23 ' CE2' ' A' ' 7' ' ' TRP . 3.4 mt -85.76 -26.23 25.95 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.077 -0.649 . . . . 0.0 109.542 179.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.404 0 O-C-N 120.408 -1.433 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.621 ' CB ' HH21 ' A' ' 1' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.484 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.872 ' C ' ' HE1' ' A' ' 5' ' ' TRP . 0.0 OUTLIER -173.39 -1.71 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.175 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 179.49 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.721 ' N ' ' HE1' ' A' ' 5' ' ' TRP . 2.7 pt -123.58 -33.75 1.16 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 CA-C-O 121.311 0.576 . . . . 0.0 112.513 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.461 ' HE1' ' HB2' ' A' ' 1' ' ' ARG . 14.9 m95 -55.75 34.29 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 115.112 1.523 . . . . 0.0 115.112 -177.375 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.872 ' HE1' ' C ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -138.24 -60.49 0.62 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 -179.385 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.494 ' CD1' ' N ' ' A' ' 6' ' ' TRP . 1.6 p-90 -79.96 -69.05 0.62 Allowed 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 115.44 1.644 . . . . 0.0 115.44 -175.128 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.699 ' HE1' ' C ' ' A' ' 3' ' ' ILE . 61.9 p-90 -56.63 1.77 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -176.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.647 HD22 ' CE2' ' A' ' 7' ' ' TRP . 2.5 mt -84.77 -20.95 30.23 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 119.77 -0.772 . . . . 0.0 109.218 179.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.454 0 O-C-N 120.509 -1.369 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.545 ' CD ' ' H3 ' ' A' ' 1' ' ' ARG . 12.4 mpt_? . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.74 ' C ' ' HE1' ' A' ' 5' ' ' TRP . 0.4 OUTLIER -171.26 -80.0 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.235 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.264 -179.153 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.897 ' O ' ' NE1' ' A' ' 7' ' ' TRP . 3.8 pt -121.38 6.19 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.584 0.707 . . . . 0.0 110.55 -179.498 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 40.7 m95 -67.66 35.03 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 113.82 1.045 . . . . 0.0 113.82 -178.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.744 ' CD1' ' N ' ' A' ' 5' ' ' TRP . 0.0 OUTLIER -128.31 -60.42 1.13 Allowed 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 -178.193 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.524 ' C ' ' H ' ' A' ' 8' ' ' LEU . 3.4 p-90 -82.78 -69.47 0.62 Allowed 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 115.644 1.72 . . . . 0.0 115.644 -175.121 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.897 ' NE1' ' O ' ' A' ' 3' ' ' ILE . 67.3 p-90 -54.01 4.19 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 -176.61 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.655 HD23 ' CE2' ' A' ' 7' ' ' TRP . 0.9 OUTLIER -86.42 -29.69 22.66 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 119.855 -0.738 . . . . 0.0 109.411 179.621 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.418 0 O-C-N 120.419 -1.425 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.483 ' C ' ' CG ' ' A' ' 2' ' ' LYS . 20.5 mmm180 . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.862 ' C ' ' HE1' ' A' ' 5' ' ' TRP . 0.0 OUTLIER 167.15 -22.8 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.123 0 CA-C-O 120.856 0.36 . . . . 0.0 111.151 -179.548 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.996 ' O ' ' NE1' ' A' ' 7' ' ' TRP . 0.2 OUTLIER -122.85 24.73 3.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.877 -0.602 . . . . 0.0 112.208 -178.448 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.479 ' CE2' HG12 ' A' ' 3' ' ' ILE . 48.7 m95 -117.63 32.7 6.01 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 121.97 -0.456 . . . . 0.0 111.333 -178.324 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.862 ' HE1' ' C ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -139.62 -61.13 0.54 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 -177.862 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.525 ' NE1' ' O ' ' A' ' 2' ' ' LYS . 1.3 p-90 -78.25 -69.37 0.56 Allowed 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 115.876 1.806 . . . . 0.0 115.876 -174.203 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.996 ' NE1' ' O ' ' A' ' 3' ' ' ILE . 60.9 p-90 -59.18 2.18 0.06 Allowed 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -176.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.554 ' CD2' ' CE2' ' A' ' 7' ' ' TRP . 3.6 mt -82.86 -28.24 30.21 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 119.603 -0.839 . . . . 0.0 109.19 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.506 0 O-C-N 120.584 -1.322 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.543 ' CD ' ' H3 ' ' A' ' 1' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.9 ' C ' ' HE1' ' A' ' 5' ' ' TRP . 0.0 OUTLIER 169.57 -16.11 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 120.673 -0.411 . . . . 0.0 111.742 -179.759 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.705 ' C ' ' HE1' ' A' ' 7' ' ' TRP . 2.1 pt -123.2 -32.7 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -178.458 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 20.5 m95 -56.23 34.31 0.0 OUTLIER 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 -177.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.9 ' HE1' ' C ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -137.61 -60.08 0.66 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -179.388 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.497 ' C ' ' H ' ' A' ' 8' ' ' LEU . 1.9 p-90 -80.93 -69.23 0.62 Allowed 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 115.46 1.652 . . . . 0.0 115.46 -175.198 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.705 ' HE1' ' C ' ' A' ' 3' ' ' ILE . 63.1 p-90 -55.32 3.85 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 -176.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.619 HD22 ' CE2' ' A' ' 7' ' ' TRP . 3.3 mt -86.02 -25.32 26.01 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 119.883 -0.727 . . . . 0.0 109.502 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.442 0 O-C-N 120.464 -1.397 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.672 HH21 ' CG ' ' A' ' 1' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.768 ' C ' ' HE1' ' A' ' 5' ' ' TRP . 4.8 ttmm -170.28 -86.33 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.921 -0.311 . . . . 0.0 111.389 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.845 ' O ' ' NE1' ' A' ' 7' ' ' TRP . 2.6 pt -120.97 7.08 6.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.68 0.753 . . . . 0.0 110.069 -179.661 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.897 ' C ' HD11 ' A' ' 8' ' ' LEU . 55.9 m95 -68.05 35.05 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.588 -1.187 . . . . 0.0 113.932 -178.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.768 ' HE1' ' C ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -129.07 -60.29 1.08 Allowed 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -178.145 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.495 ' C ' ' H ' ' A' ' 8' ' ' LEU . 4.0 p-90 -80.8 -69.61 0.59 Allowed 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 115.844 1.794 . . . . 0.0 115.844 -175.034 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.845 ' NE1' ' O ' ' A' ' 3' ' ' ILE . 66.1 p-90 -53.58 4.96 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 -176.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.897 HD11 ' C ' ' A' ' 4' ' ' TRP . 3.4 mt -85.76 -26.23 25.95 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.077 -0.649 . . . . 0.0 109.542 179.661 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.404 0 O-C-N 120.408 -1.433 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.642 ' CB ' HH21 ' A' ' 1' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.484 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.922 ' C ' ' HE1' ' A' ' 5' ' ' TRP . 0.0 OUTLIER -173.39 -1.71 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.175 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 179.49 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.773 HD11 ' CZ2' ' A' ' 4' ' ' TRP . 2.7 pt -123.58 -33.75 1.16 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 CA-C-O 121.311 0.576 . . . . 0.0 112.513 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.851 ' C ' HD11 ' A' ' 8' ' ' LEU . 14.9 m95 -55.75 34.29 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 115.112 1.523 . . . . 0.0 115.112 -177.375 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.922 ' HE1' ' C ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -138.24 -60.49 0.62 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 -179.385 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.494 ' CD1' ' N ' ' A' ' 6' ' ' TRP . 1.6 p-90 -79.96 -69.05 0.62 Allowed 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 115.44 1.644 . . . . 0.0 115.44 -175.128 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.739 ' HE1' ' C ' ' A' ' 3' ' ' ILE . 61.9 p-90 -56.63 1.77 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -176.667 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.851 HD11 ' C ' ' A' ' 4' ' ' TRP . 2.5 mt -84.77 -20.95 30.23 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 119.77 -0.772 . . . . 0.0 109.218 179.731 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.454 0 O-C-N 120.509 -1.369 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.474 ' HB2' ' CH2' ' A' ' 5' ' ' TRP . 12.4 mpt_? . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.773 ' C ' ' HE1' ' A' ' 5' ' ' TRP . 0.4 OUTLIER -171.26 -80.0 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.235 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.264 -179.153 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.897 ' O ' ' NE1' ' A' ' 7' ' ' TRP . 3.8 pt -121.38 6.19 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.584 0.707 . . . . 0.0 110.55 -179.498 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.949 ' C ' HD11 ' A' ' 8' ' ' LEU . 40.7 m95 -67.66 35.03 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 113.82 1.045 . . . . 0.0 113.82 -178.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.773 ' HE1' ' C ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -128.31 -60.42 1.13 Allowed 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 -178.193 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.493 ' CD1' ' N ' ' A' ' 6' ' ' TRP . 3.4 p-90 -82.78 -69.47 0.62 Allowed 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 115.644 1.72 . . . . 0.0 115.644 -175.121 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.897 ' NE1' ' O ' ' A' ' 3' ' ' ILE . 67.3 p-90 -54.01 4.19 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 -176.61 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.949 HD11 ' C ' ' A' ' 4' ' ' TRP . 0.9 OUTLIER -86.42 -29.69 22.66 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 119.855 -0.738 . . . . 0.0 109.411 179.621 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.418 0 O-C-N 120.419 -1.425 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.483 ' C ' ' CG ' ' A' ' 2' ' ' LYS . 20.5 mmm180 . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.913 ' C ' ' HE1' ' A' ' 5' ' ' TRP . 0.0 OUTLIER 167.15 -22.8 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.123 0 CA-C-O 120.856 0.36 . . . . 0.0 111.151 -179.548 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.996 ' O ' ' NE1' ' A' ' 7' ' ' TRP . 0.2 OUTLIER -122.85 24.73 3.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.877 -0.602 . . . . 0.0 112.208 -178.448 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.821 ' C ' HD11 ' A' ' 8' ' ' LEU . 48.7 m95 -117.63 32.7 6.01 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 121.97 -0.456 . . . . 0.0 111.333 -178.324 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.913 ' HE1' ' C ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -139.62 -61.13 0.54 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 -177.862 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.525 ' NE1' ' O ' ' A' ' 2' ' ' LYS . 1.3 p-90 -78.25 -69.37 0.56 Allowed 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 115.876 1.806 . . . . 0.0 115.876 -174.203 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.996 ' NE1' ' O ' ' A' ' 3' ' ' ILE . 60.9 p-90 -59.18 2.18 0.06 Allowed 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -176.555 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.821 HD11 ' C ' ' A' ' 4' ' ' TRP . 3.6 mt -82.86 -28.24 30.21 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 119.603 -0.839 . . . . 0.0 109.19 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.506 0 O-C-N 120.584 -1.322 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.401 ' O ' ' CB ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.951 ' C ' ' HE1' ' A' ' 5' ' ' TRP . 0.0 OUTLIER 169.57 -16.11 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 120.673 -0.411 . . . . 0.0 111.742 -179.759 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.747 ' C ' ' HE1' ' A' ' 7' ' ' TRP . 2.1 pt -123.2 -32.7 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -178.458 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.85 ' C ' HD11 ' A' ' 8' ' ' LEU . 20.5 m95 -56.23 34.31 0.0 OUTLIER 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 -177.625 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.951 ' HE1' ' C ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -137.61 -60.08 0.66 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -179.388 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.495 ' CD1' ' N ' ' A' ' 6' ' ' TRP . 1.9 p-90 -80.93 -69.23 0.62 Allowed 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 115.46 1.652 . . . . 0.0 115.46 -175.198 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.747 ' HE1' ' C ' ' A' ' 3' ' ' ILE . 63.1 p-90 -55.32 3.85 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 -176.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.85 HD11 ' C ' ' A' ' 4' ' ' TRP . 3.3 mt -86.02 -25.32 26.01 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 119.883 -0.727 . . . . 0.0 109.502 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.442 0 O-C-N 120.464 -1.397 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.672 ' CG ' HH21 ' A' ' 1' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.768 ' C ' ' HE1' ' A' ' 5' ' ' TRP . 4.8 ttmm -170.28 -86.33 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.921 -0.311 . . . . 0.0 111.389 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.845 ' O ' ' NE1' ' A' ' 7' ' ' TRP . 2.6 pt -120.97 7.08 6.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.68 0.753 . . . . 0.0 110.069 -179.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.897 ' C ' HD11 ' A' ' 8' ' ' LEU . 55.9 m95 -68.05 35.05 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.588 -1.187 . . . . 0.0 113.932 -178.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.768 ' HE1' ' C ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -129.07 -60.29 1.08 Allowed 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -178.145 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.495 ' C ' ' H ' ' A' ' 8' ' ' LEU . 4.0 p-90 -80.8 -69.61 0.59 Allowed 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 115.844 1.794 . . . . 0.0 115.844 -175.034 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.845 ' NE1' ' O ' ' A' ' 3' ' ' ILE . 66.1 p-90 -53.58 4.96 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 -176.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.897 HD11 ' C ' ' A' ' 4' ' ' TRP . 3.4 mt -85.76 -26.23 25.95 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.077 -0.649 . . . . 0.0 109.542 179.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.404 0 O-C-N 120.408 -1.433 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.642 HH21 ' CB ' ' A' ' 1' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.484 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.922 ' C ' ' HE1' ' A' ' 5' ' ' TRP . 0.0 OUTLIER -173.39 -1.71 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.175 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 179.49 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.773 HD11 ' CZ2' ' A' ' 4' ' ' TRP . 2.7 pt -123.58 -33.75 1.16 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 CA-C-O 121.311 0.576 . . . . 0.0 112.513 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.851 ' C ' HD11 ' A' ' 8' ' ' LEU . 14.9 m95 -55.75 34.29 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 115.112 1.523 . . . . 0.0 115.112 -177.375 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.922 ' HE1' ' C ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -138.24 -60.49 0.62 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 -179.385 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.494 ' CD1' ' N ' ' A' ' 6' ' ' TRP . 1.6 p-90 -79.96 -69.05 0.62 Allowed 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 115.44 1.644 . . . . 0.0 115.44 -175.128 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.739 ' HE1' ' C ' ' A' ' 3' ' ' ILE . 61.9 p-90 -56.63 1.77 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -176.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.851 HD11 ' C ' ' A' ' 4' ' ' TRP . 2.5 mt -84.77 -20.95 30.23 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 119.77 -0.772 . . . . 0.0 109.218 179.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.454 0 O-C-N 120.509 -1.369 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.474 ' HB2' ' CH2' ' A' ' 5' ' ' TRP . 12.4 mpt_? . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.773 ' C ' ' HE1' ' A' ' 5' ' ' TRP . 0.4 OUTLIER -171.26 -80.0 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.235 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.264 -179.153 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.897 ' O ' ' NE1' ' A' ' 7' ' ' TRP . 3.8 pt -121.38 6.19 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.584 0.707 . . . . 0.0 110.55 -179.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.949 ' C ' HD11 ' A' ' 8' ' ' LEU . 40.7 m95 -67.66 35.03 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 113.82 1.045 . . . . 0.0 113.82 -178.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.773 ' HE1' ' C ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -128.31 -60.42 1.13 Allowed 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 -178.193 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.493 ' CD1' ' N ' ' A' ' 6' ' ' TRP . 3.4 p-90 -82.78 -69.47 0.62 Allowed 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 115.644 1.72 . . . . 0.0 115.644 -175.121 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.897 ' NE1' ' O ' ' A' ' 3' ' ' ILE . 67.3 p-90 -54.01 4.19 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 -176.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.949 HD11 ' C ' ' A' ' 4' ' ' TRP . 0.9 OUTLIER -86.42 -29.69 22.66 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 119.855 -0.738 . . . . 0.0 109.411 179.621 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.418 0 O-C-N 120.419 -1.425 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.483 ' C ' ' CG ' ' A' ' 2' ' ' LYS . 20.5 mmm180 . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.913 ' C ' ' HE1' ' A' ' 5' ' ' TRP . 0.0 OUTLIER 167.15 -22.8 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.123 0 CA-C-O 120.856 0.36 . . . . 0.0 111.151 -179.548 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.996 ' O ' ' NE1' ' A' ' 7' ' ' TRP . 0.2 OUTLIER -122.85 24.73 3.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.877 -0.602 . . . . 0.0 112.208 -178.448 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.821 ' C ' HD11 ' A' ' 8' ' ' LEU . 48.7 m95 -117.63 32.7 6.01 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 121.97 -0.456 . . . . 0.0 111.333 -178.324 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.913 ' HE1' ' C ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -139.62 -61.13 0.54 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 -177.862 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.525 ' NE1' ' O ' ' A' ' 2' ' ' LYS . 1.3 p-90 -78.25 -69.37 0.56 Allowed 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 115.876 1.806 . . . . 0.0 115.876 -174.203 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.996 ' NE1' ' O ' ' A' ' 3' ' ' ILE . 60.9 p-90 -59.18 2.18 0.06 Allowed 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -176.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.821 HD11 ' C ' ' A' ' 4' ' ' TRP . 3.6 mt -82.86 -28.24 30.21 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 119.603 -0.839 . . . . 0.0 109.19 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.506 0 O-C-N 120.584 -1.322 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.401 ' O ' ' CB ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.951 ' C ' ' HE1' ' A' ' 5' ' ' TRP . 0.0 OUTLIER 169.57 -16.11 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 120.673 -0.411 . . . . 0.0 111.742 -179.759 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.747 ' C ' ' HE1' ' A' ' 7' ' ' TRP . 2.1 pt -123.2 -32.7 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -178.458 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.85 ' C ' HD11 ' A' ' 8' ' ' LEU . 20.5 m95 -56.23 34.31 0.0 OUTLIER 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 -177.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.951 ' HE1' ' C ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -137.61 -60.08 0.66 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -179.388 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.495 ' CD1' ' N ' ' A' ' 6' ' ' TRP . 1.9 p-90 -80.93 -69.23 0.62 Allowed 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 115.46 1.652 . . . . 0.0 115.46 -175.198 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.747 ' HE1' ' C ' ' A' ' 3' ' ' ILE . 63.1 p-90 -55.32 3.85 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 -176.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.85 HD11 ' C ' ' A' ' 4' ' ' TRP . 3.3 mt -86.02 -25.32 26.01 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 119.883 -0.727 . . . . 0.0 109.502 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.442 0 O-C-N 120.464 -1.397 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_