data_1ng8_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 1ng8 _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 . . . . . . . . . . . . . . . 121.76 -82.01 0.35 Allowed Glycine 0 CA--C 1.537 1.407 0 C-N-CA 125.249 1.404 . . . . 0.0 113.552 170.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -149.38 150.44 32.44 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.306 1.043 . . . . 0.0 112.354 178.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -105.17 136.47 44.61 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.967 1.307 . . . . 0.0 112.451 -178.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 31.8 t -99.01 107.33 20.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 124.426 1.09 . . . . 0.0 109.007 172.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 70.1 t90 -96.97 109.13 21.94 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.097 0.959 . . . . 0.0 113.403 -170.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 41.7 m0 -107.07 150.63 26.34 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.931 1.692 . . . . 0.0 112.612 176.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 25.2 m-90 -146.3 140.42 26.44 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.708 1.203 . . . . 0.0 111.778 -175.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -102.24 165.97 17.29 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 125.186 1.374 . . . . 0.0 114.948 -167.069 . . . . . . . . 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 . . . . . . . . . . . . . . . 121.69 -81.97 0.35 Allowed Glycine 0 CA--C 1.537 1.417 0 C-N-CA 125.221 1.391 . . . . 0.0 113.554 170.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -149.36 150.46 32.51 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.356 1.063 . . . . 0.0 112.396 178.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -105.18 136.46 44.65 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.946 1.298 . . . . 0.0 112.474 -178.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 31.5 t -98.98 107.36 20.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 124.39 1.076 . . . . 0.0 109.014 172.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 70.0 t90 -97.0 109.09 21.92 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.136 0.974 . . . . 0.0 113.395 -170.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' TRP . . . . . . . . . . . . . 41.7 m0 -107.02 150.66 26.27 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.95 1.7 . . . . 0.0 112.598 176.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' TRP . . . . . . . . . . . . . 25.2 m-90 -146.29 140.42 26.45 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.743 1.217 . . . . 0.0 111.73 -175.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -102.26 166.01 17.29 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 125.131 1.348 . . . . 0.0 114.943 -167.055 . . . . . . . . 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 . . . . . . . . . . . . . . . 121.76 -82.01 0.35 Allowed Glycine 0 CA--C 1.537 1.407 0 C-N-CA 125.249 1.404 . . . . 0.0 113.552 170.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -149.38 150.44 32.44 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.306 1.043 . . . . 0.0 112.354 178.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' DLE . . . . . 0.495 HD23 ' C ' ' A' ' 4' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -105.17 136.47 44.61 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.967 1.307 . . . . 0.0 112.451 -178.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 31.8 t -99.01 107.33 20.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 124.426 1.09 . . . . 0.0 109.007 172.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 70.1 t90 -96.97 109.13 21.94 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.097 0.959 . . . . 0.0 113.403 -170.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 41.7 m0 -107.07 150.63 26.34 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.931 1.692 . . . . 0.0 112.612 176.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 25.2 m-90 -146.3 140.42 26.44 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.708 1.203 . . . . 0.0 111.778 -175.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -102.24 165.97 17.29 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 125.186 1.374 . . . . 0.0 114.948 -167.069 . . . . . . . . 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 . . . . . . . . . . . . . . . 121.69 -81.97 0.35 Allowed Glycine 0 CA--C 1.537 1.417 0 C-N-CA 125.221 1.391 . . . . 0.0 113.554 170.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -149.36 150.46 32.51 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.356 1.063 . . . . 0.0 112.396 178.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' DLE . . . . . 0.493 HD23 ' C ' ' B' ' 4' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -105.18 136.46 44.65 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.946 1.298 . . . . 0.0 112.474 -178.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 31.5 t -98.98 107.36 20.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 124.39 1.076 . . . . 0.0 109.014 172.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 70.0 t90 -97.0 109.09 21.92 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.136 0.974 . . . . 0.0 113.395 -170.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 11' ' ' TRP . . . . . . . . . . . . . 41.7 m0 -107.02 150.66 26.27 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.95 1.7 . . . . 0.0 112.598 176.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 13' ' ' TRP . . . . . . . . . . . . . 25.2 m-90 -146.29 140.42 26.45 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.743 1.217 . . . . 0.0 111.73 -175.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -102.26 166.01 17.29 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 125.131 1.348 . . . . 0.0 114.943 -167.055 . . . . . . . . 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 . . . . . . . . . . . . . . . 121.76 -82.01 0.35 Allowed Glycine 0 CA--C 1.537 1.407 0 C-N-CA 125.249 1.404 . . . . 0.0 113.552 170.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -149.38 150.44 32.44 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.306 1.043 . . . . 0.0 112.354 178.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' DLE . . . . . 0.495 HD23 ' C ' ' A' ' 4' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -105.17 136.47 44.61 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.967 1.307 . . . . 0.0 112.451 -178.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 31.8 t -99.01 107.33 20.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 124.426 1.09 . . . . 0.0 109.007 172.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 70.1 t90 -96.97 109.13 21.94 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.097 0.959 . . . . 0.0 113.403 -170.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 41.7 m0 -107.07 150.63 26.34 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.931 1.692 . . . . 0.0 112.612 176.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 25.2 m-90 -146.3 140.42 26.44 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.708 1.203 . . . . 0.0 111.778 -175.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -102.24 165.97 17.29 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 125.186 1.374 . . . . 0.0 114.948 -167.069 . . . . . . . . 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 . . . . . . . . . . . . . . . 121.69 -81.97 0.35 Allowed Glycine 0 CA--C 1.537 1.417 0 C-N-CA 125.221 1.391 . . . . 0.0 113.554 170.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -149.36 150.46 32.51 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.356 1.063 . . . . 0.0 112.396 178.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' DLE . . . . . 0.493 HD23 ' C ' ' B' ' 4' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -105.18 136.46 44.65 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.946 1.298 . . . . 0.0 112.474 -178.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 31.5 t -98.98 107.36 20.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 124.39 1.076 . . . . 0.0 109.014 172.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 70.0 t90 -97.0 109.09 21.92 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.136 0.974 . . . . 0.0 113.395 -170.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' TRP . . . . . . . . . . . . . 41.7 m0 -107.02 150.66 26.27 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.95 1.7 . . . . 0.0 112.598 176.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' TRP . . . . . . . . . . . . . 25.2 m-90 -146.29 140.42 26.45 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.743 1.217 . . . . 0.0 111.73 -175.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -102.26 166.01 17.29 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 125.131 1.348 . . . . 0.0 114.943 -167.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_