data_1nt5_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 1nt5 _Structure_validation_residue.Date_analyzed 2016-10-06 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' ' ' QPH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 101.99 -145.25 16.59 Favored Glycine 0 CA--C 1.538 1.489 0 C-N-CA 125.442 1.496 . . . . 0.0 113.674 176.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.1 115.98 28.54 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.575 1.55 . . . . 0.0 112.08 -174.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -143.35 147.58 34.9 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.077 0.951 . . . . 0.0 111.829 172.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -106.31 109.98 29.88 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.848 0 C-N-CA 126.326 1.85 . . . . 0.0 109.496 168.315 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 90.0 t90 -103.33 142.03 34.92 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.344 1.058 . . . . 0.0 112.237 -171.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 -131.85 160.51 35.45 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.75 1.22 . . . . 0.0 113.683 -174.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -132.89 152.65 51.84 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.123 1.369 . . . . 0.0 111.503 -177.208 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 14.1 m-90 -147.75 178.19 8.69 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.657 1.583 . . . . 0.0 112.544 -174.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' QPH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 101.94 -145.22 16.59 Favored Glycine 0 CA--C 1.539 1.556 0 C-N-CA 125.451 1.5 . . . . 0.0 113.664 176.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.1 115.95 28.52 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.573 1.549 . . . . 0.0 112.078 -174.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -143.41 147.6 34.87 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.08 0.952 . . . . 0.0 111.821 172.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -106.27 109.98 29.85 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.842 0 C-N-CA 126.381 1.873 . . . . 0.0 109.462 168.339 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 90.0 t90 -103.32 142.03 34.91 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.293 1.037 . . . . 0.0 112.255 -170.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 -131.92 160.55 35.42 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.714 1.206 . . . . 0.0 113.659 -174.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -132.91 152.66 51.86 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.112 1.365 . . . . 0.0 111.539 -177.225 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 14.1 m-90 -147.73 178.21 8.67 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.634 1.573 . . . . 0.0 112.545 -174.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' QPH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 101.99 -145.25 16.59 Favored Glycine 0 CA--C 1.538 1.489 0 C-N-CA 125.442 1.496 . . . . 0.0 113.674 176.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.1 115.98 28.54 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.575 1.55 . . . . 0.0 112.08 -174.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -143.35 147.58 34.9 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.077 0.951 . . . . 0.0 111.829 172.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -106.31 109.98 29.88 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.848 0 C-N-CA 126.326 1.85 . . . . 0.0 109.496 168.315 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 90.0 t90 -103.33 142.03 34.92 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.344 1.058 . . . . 0.0 112.237 -171.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 -131.85 160.51 35.45 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.75 1.22 . . . . 0.0 113.683 -174.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -132.89 152.65 51.84 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.123 1.369 . . . . 0.0 111.503 -177.208 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 14.1 m-90 -147.75 178.19 8.69 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.657 1.583 . . . . 0.0 112.544 -174.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' QPH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 101.94 -145.22 16.59 Favored Glycine 0 CA--C 1.539 1.556 0 C-N-CA 125.451 1.5 . . . . 0.0 113.664 176.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.1 115.95 28.52 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.573 1.549 . . . . 0.0 112.078 -174.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -143.41 147.6 34.87 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.08 0.952 . . . . 0.0 111.821 172.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -106.27 109.98 29.85 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.842 0 C-N-CA 126.381 1.873 . . . . 0.0 109.462 168.339 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 90.0 t90 -103.32 142.03 34.91 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.293 1.037 . . . . 0.0 112.255 -170.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 11' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 -131.92 160.55 35.42 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.714 1.206 . . . . 0.0 113.659 -174.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 13' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -132.91 152.66 51.86 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.112 1.365 . . . . 0.0 111.539 -177.225 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 14.1 m-90 -147.73 178.21 8.67 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.634 1.573 . . . . 0.0 112.545 -174.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' QPH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 101.99 -145.25 16.59 Favored Glycine 0 CA--C 1.538 1.489 0 C-N-CA 125.442 1.496 . . . . 0.0 113.674 176.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.1 115.98 28.54 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.575 1.55 . . . . 0.0 112.08 -174.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -143.35 147.58 34.9 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.077 0.951 . . . . 0.0 111.829 172.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -106.31 109.98 29.88 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.848 0 C-N-CA 126.326 1.85 . . . . 0.0 109.496 168.315 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 90.0 t90 -103.33 142.03 34.92 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.344 1.058 . . . . 0.0 112.237 -171.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 -131.85 160.51 35.45 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.75 1.22 . . . . 0.0 113.683 -174.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -132.89 152.65 51.84 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.123 1.369 . . . . 0.0 111.503 -177.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 14.1 m-90 -147.75 178.19 8.69 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.657 1.583 . . . . 0.0 112.544 -174.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' QPH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 101.94 -145.22 16.59 Favored Glycine 0 CA--C 1.539 1.556 0 C-N-CA 125.451 1.5 . . . . 0.0 113.664 176.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.1 115.95 28.52 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.573 1.549 . . . . 0.0 112.078 -174.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -143.41 147.6 34.87 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.08 0.952 . . . . 0.0 111.821 172.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -106.27 109.98 29.85 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.842 0 C-N-CA 126.381 1.873 . . . . 0.0 109.462 168.339 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 90.0 t90 -103.32 142.03 34.91 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.293 1.037 . . . . 0.0 112.255 -170.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 -131.92 160.55 35.42 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.714 1.206 . . . . 0.0 113.659 -174.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -132.91 152.66 51.86 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.112 1.365 . . . . 0.0 111.539 -177.225 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 14.1 m-90 -147.73 178.21 8.67 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.634 1.573 . . . . 0.0 112.545 -174.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_