data_1nru_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 1nru _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' ' ' FVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 147.39 -152.44 24.57 Favored Glycine 0 CA--C 1.541 1.66 0 C-N-CA 124.144 0.878 . . . . 0.0 115.276 175.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -95.52 130.73 42.27 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.626 1.57 . . . . 0.0 111.109 178.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -127.66 124.23 37.45 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.759 1.224 . . . . 0.0 110.557 -178.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.9 t -98.09 136.68 28.08 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 C-N-CA 124.588 1.155 . . . . 0.0 108.882 170.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -134.25 123.51 24.38 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.901 1.28 . . . . 0.0 112.212 -173.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 21.9 m-90 -110.66 157.08 20.11 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.822 1.649 . . . . 0.0 112.085 170.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 9.6 m-90 -143.67 144.52 31.91 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 -169.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 -137.16 174.35 10.7 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 -167.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' FVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 147.39 -152.44 24.57 Favored Glycine 0 CA--C 1.54 1.631 0 N-CA-C 115.293 0.877 . . . . 0.0 115.293 175.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -95.55 130.74 42.3 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.649 1.58 . . . . 0.0 111.103 178.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -127.55 124.24 37.72 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.807 1.243 . . . . 0.0 110.626 -178.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 21.8 t -98.15 136.69 28.11 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 C-N-CA 124.614 1.166 . . . . 0.0 108.894 170.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 89.0 t90 -134.26 123.46 24.29 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.901 1.281 . . . . 0.0 112.185 -173.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' TRP . . . . . . . . . . . . . 21.9 m-90 -110.6 157.13 20.01 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.805 1.642 . . . . 0.0 112.043 170.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' TRP . . . . . . . . . . . . . 9.5 m-90 -143.65 144.53 31.93 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 -169.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 -137.17 174.35 10.71 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -167.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' FVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 147.39 -152.44 24.57 Favored Glycine 0 CA--C 1.541 1.66 0 C-N-CA 124.144 0.878 . . . . 0.0 115.276 175.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -95.52 130.73 42.27 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.626 1.57 . . . . 0.0 111.109 178.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -127.66 124.23 37.45 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.759 1.224 . . . . 0.0 110.557 -178.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.9 t -98.09 136.68 28.08 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 C-N-CA 124.588 1.155 . . . . 0.0 108.882 170.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -134.25 123.51 24.38 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.901 1.28 . . . . 0.0 112.212 -173.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 21.9 m-90 -110.66 157.08 20.11 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.822 1.649 . . . . 0.0 112.085 170.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 9.6 m-90 -143.67 144.52 31.91 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 -169.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 -137.16 174.35 10.7 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 -167.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' FVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 147.39 -152.44 24.57 Favored Glycine 0 CA--C 1.54 1.631 0 N-CA-C 115.293 0.877 . . . . 0.0 115.293 175.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -95.55 130.74 42.3 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.649 1.58 . . . . 0.0 111.103 178.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -127.55 124.24 37.72 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.807 1.243 . . . . 0.0 110.626 -178.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 21.8 t -98.15 136.69 28.11 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 C-N-CA 124.614 1.166 . . . . 0.0 108.894 170.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 89.0 t90 -134.26 123.46 24.29 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.901 1.281 . . . . 0.0 112.185 -173.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 11' ' ' TRP . . . . . . . . . . . . . 21.9 m-90 -110.6 157.13 20.01 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.805 1.642 . . . . 0.0 112.043 170.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 13' ' ' TRP . . . . . . . . . . . . . 9.5 m-90 -143.65 144.53 31.93 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 -169.155 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 -137.17 174.35 10.71 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -167.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' FVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 147.39 -152.44 24.57 Favored Glycine 0 CA--C 1.541 1.66 0 C-N-CA 124.144 0.878 . . . . 0.0 115.276 175.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -95.52 130.73 42.27 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.626 1.57 . . . . 0.0 111.109 178.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -127.66 124.23 37.45 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.759 1.224 . . . . 0.0 110.557 -178.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.9 t -98.09 136.68 28.08 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 C-N-CA 124.588 1.155 . . . . 0.0 108.882 170.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -134.25 123.51 24.38 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.901 1.28 . . . . 0.0 112.212 -173.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 21.9 m-90 -110.66 157.08 20.11 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.822 1.649 . . . . 0.0 112.085 170.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 9.6 m-90 -143.67 144.52 31.91 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 -169.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 -137.16 174.35 10.7 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 -167.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' FVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 147.39 -152.44 24.57 Favored Glycine 0 CA--C 1.54 1.631 0 N-CA-C 115.293 0.877 . . . . 0.0 115.293 175.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -95.55 130.74 42.3 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.649 1.58 . . . . 0.0 111.103 178.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -127.55 124.24 37.72 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.807 1.243 . . . . 0.0 110.626 -178.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 21.8 t -98.15 136.69 28.11 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 C-N-CA 124.614 1.166 . . . . 0.0 108.894 170.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 89.0 t90 -134.26 123.46 24.29 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.901 1.281 . . . . 0.0 112.185 -173.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' TRP . . . . . . . . . . . . . 21.9 m-90 -110.6 157.13 20.01 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.805 1.642 . . . . 0.0 112.043 170.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' TRP . . . . . . . . . . . . . 9.5 m-90 -143.65 144.53 31.93 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 -169.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 -137.17 174.35 10.71 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -167.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_