data_2mz6_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 2mz6 _Structure_validation_residue.Date_analyzed 2016-10-08 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 . . . . . . . . . . . . . 4.0 mpp_? . . . . . 0 N--CA 1.492 1.67 0 CA-C-O 121.205 0.526 . . . . 0.0 110.185 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -96.38 177.26 33.38 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -175.51 -145.94 5.65 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.93 148.96 20.94 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.541 -1.423 . . . . 0.0 109.541 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -114.03 129.74 56.59 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.385 -1.068 . . . . 0.0 110.029 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.6 m -134.32 128.05 32.97 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.326 -0.859 . . . . 0.0 110.288 179.997 -91.204 -62.669 122.835 104.224 2.02 104.209 -105.791 -72.227 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -118.37 131.38 56.3 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.439 -0.788 . . . . 0.0 110.035 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.07 136.77 49.73 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.365 -0.835 . . . . 0.0 110.252 -179.862 -128.741 65.233 -133.477 104.196 2.02 104.207 95.095 -144.645 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.28 141.59 16.38 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.384 -0.822 . . . . 0.0 110.049 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 52.84 -129.05 2.38 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.155 -0.966 . . . . 0.0 110.052 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.29 47.11 0.94 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.879 -1.138 . . . . 0.0 110.26 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -156.27 148.64 23.52 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.371 -0.831 . . . . 0.0 110.185 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -140.17 149.44 42.98 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.395 -0.816 . . . . 0.0 110.22 -179.926 -144.645 95.095 -133.477 104.207 2.02 104.196 65.233 -128.741 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.8 p -144.54 132.61 17.46 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.338 -0.851 . . . . 0.0 110.216 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 67.6 m -124.48 149.22 47.09 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.382 -0.824 . . . . 0.0 110.232 -179.944 -72.227 -105.791 122.835 104.209 2.02 104.224 -62.669 -91.204 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 35.4 m -137.49 143.82 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.342 -0.849 . . . . 0.0 110.193 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -148.03 158.73 27.8 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.661 0 O-C-N 121.322 -1.104 . . . . 0.0 110.179 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.174 0.511 . . . . 0.0 110.203 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -109.99 157.48 15.03 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 109.504 -1.438 . . . . 0.0 109.504 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 68.72 -143.08 39.56 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.19 143.94 15.88 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.77 149.29 38.74 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.394 -1.063 . . . . 0.0 110.159 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 41.8 t -162.36 129.73 3.81 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.392 -0.818 . . . . 0.0 110.088 -179.994 177.976 41.388 50.32 104.886 2.021 104.502 -136.971 -55.991 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -157.29 150.8 24.06 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.375 -0.828 . . . . 0.0 110.28 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' CYS . . . . . 0.839 ' HA ' ' HA ' ' B' ' 13' ' ' CYS . 33.1 m -108.2 132.48 53.59 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.36 -0.838 . . . . 0.0 109.694 179.763 -50.448 -40.398 -64.345 104.834 2.021 104.278 108.004 -162.744 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.99 153.71 50.07 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.216 -0.928 . . . . 0.0 110.388 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 21.5 mmt180 52.52 -129.53 2.32 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.279 -0.888 . . . . 0.0 109.797 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 -109.97 41.73 1.66 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.919 -1.113 . . . . 0.0 109.64 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -167.89 145.41 4.35 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.597 -0.689 . . . . 0.0 109.642 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' CYS . . . . . 0.839 ' HA ' ' HA ' ' B' ' 8' ' ' CYS . 8.6 t -103.74 143.92 32.16 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.202 -0.936 . . . . 0.0 110.352 -179.888 -162.744 108.004 -64.345 104.278 2.021 104.834 -40.398 -50.448 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 12.4 p -133.35 122.73 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.413 -0.805 . . . . 0.0 109.926 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 60.9 m -132.52 143.93 50.08 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.344 -0.847 . . . . 0.0 110.16 -179.734 -55.991 -136.971 50.32 104.502 2.021 104.886 41.388 177.976 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 35.4 m -135.35 148.5 28.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.391 -0.818 . . . . 0.0 110.319 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -130.61 150.48 19.28 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.511 -1.435 . . . . 0.0 109.511 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 3.5 ttt-85 . . . . . 0 N--CA 1.492 1.641 0 O-C-N 121.419 -1.048 . . . . 0.0 110.227 -179.947 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.0 mpp_? . . . . . 0 N--CA 1.492 1.67 0 CA-C-O 121.205 0.526 . . . . 0.0 110.185 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -96.38 177.26 33.38 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -175.51 -145.94 5.65 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.93 148.96 20.94 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.541 -1.423 . . . . 0.0 109.541 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.416 ' HA ' HD13 ' A' ' 5' ' ' LEU . 0.7 OUTLIER -114.03 129.74 56.59 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.385 -1.068 . . . . 0.0 110.029 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.6 m -134.32 128.05 32.97 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.326 -0.859 . . . . 0.0 110.288 179.997 -91.204 -62.669 122.835 104.224 2.02 104.209 -105.791 -72.227 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -118.37 131.38 56.3 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.439 -0.788 . . . . 0.0 110.035 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.07 136.77 49.73 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.365 -0.835 . . . . 0.0 110.252 -179.862 -128.741 65.233 -133.477 104.196 2.02 104.207 95.095 -144.645 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.28 141.59 16.38 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.384 -0.822 . . . . 0.0 110.049 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 52.84 -129.05 2.38 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.155 -0.966 . . . . 0.0 110.052 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.29 47.11 0.94 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.879 -1.138 . . . . 0.0 110.26 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -156.27 148.64 23.52 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.371 -0.831 . . . . 0.0 110.185 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -140.17 149.44 42.98 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.395 -0.816 . . . . 0.0 110.22 -179.926 -144.645 95.095 -133.477 104.207 2.02 104.196 65.233 -128.741 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.415 HG13 ' O ' ' A' ' 14' ' ' VAL . 9.8 p -144.54 132.61 17.46 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.338 -0.851 . . . . 0.0 110.216 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 67.6 m -124.48 149.22 47.09 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.382 -0.824 . . . . 0.0 110.232 -179.944 -72.227 -105.791 122.835 104.209 2.02 104.224 -62.669 -91.204 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 35.4 m -137.49 143.82 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.342 -0.849 . . . . 0.0 110.193 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -148.03 158.73 27.8 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.661 0 O-C-N 121.322 -1.104 . . . . 0.0 110.179 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 1' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.174 0.511 . . . . 0.0 110.203 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -109.99 157.48 15.03 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 109.504 -1.438 . . . . 0.0 109.504 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 68.72 -143.08 39.56 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.19 143.94 15.88 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.77 149.29 38.74 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.394 -1.063 . . . . 0.0 110.159 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 41.8 t -162.36 129.73 3.81 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.392 -0.818 . . . . 0.0 110.088 -179.994 177.976 41.388 50.32 104.886 2.021 104.502 -136.971 -55.991 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -157.29 150.8 24.06 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.375 -0.828 . . . . 0.0 110.28 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' CYS . . . . . 0.862 ' HA ' ' HA ' ' B' ' 13' ' ' CYS . 33.1 m -108.2 132.48 53.59 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.36 -0.838 . . . . 0.0 109.694 179.763 -50.448 -40.398 -64.345 104.834 2.021 104.278 108.004 -162.744 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.99 153.71 50.07 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.216 -0.928 . . . . 0.0 110.388 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 21.5 mmt180 52.52 -129.53 2.32 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.279 -0.888 . . . . 0.0 109.797 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 -109.97 41.73 1.66 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.919 -1.113 . . . . 0.0 109.64 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -167.89 145.41 4.35 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.597 -0.689 . . . . 0.0 109.642 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' CYS . . . . . 0.862 ' HA ' ' HA ' ' B' ' 8' ' ' CYS . 8.6 t -103.74 143.92 32.16 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.202 -0.936 . . . . 0.0 110.352 -179.888 -162.744 108.004 -64.345 104.278 2.021 104.834 -40.398 -50.448 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.545 ' O ' HG13 ' B' ' 14' ' ' VAL . 12.4 p -133.35 122.73 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.413 -0.805 . . . . 0.0 109.926 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 60.9 m -132.52 143.93 50.08 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.344 -0.847 . . . . 0.0 110.16 -179.734 -55.991 -136.971 50.32 104.502 2.021 104.886 41.388 177.976 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 35.4 m -135.35 148.5 28.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.391 -0.818 . . . . 0.0 110.319 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -130.61 150.48 19.28 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.511 -1.435 . . . . 0.0 109.511 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 3.5 ttt-85 . . . . . 0 N--CA 1.492 1.641 0 O-C-N 121.419 -1.048 . . . . 0.0 110.227 -179.947 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.0 mpp_? . . . . . 0 N--CA 1.492 1.67 0 CA-C-O 121.205 0.526 . . . . 0.0 110.185 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -96.38 177.26 33.38 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -175.51 -145.94 5.65 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.93 148.96 20.94 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.541 -1.423 . . . . 0.0 109.541 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.416 ' HA ' HD13 ' A' ' 5' ' ' LEU . 0.7 OUTLIER -114.03 129.74 56.59 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.385 -1.068 . . . . 0.0 110.029 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.6 m -134.32 128.05 32.97 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.326 -0.859 . . . . 0.0 110.288 179.997 -91.204 -62.669 122.835 104.224 2.02 104.209 -105.791 -72.227 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -118.37 131.38 56.3 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.439 -0.788 . . . . 0.0 110.035 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.07 136.77 49.73 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.365 -0.835 . . . . 0.0 110.252 -179.862 -128.741 65.233 -133.477 104.196 2.02 104.207 95.095 -144.645 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.28 141.59 16.38 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.384 -0.822 . . . . 0.0 110.049 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 52.84 -129.05 2.38 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.155 -0.966 . . . . 0.0 110.052 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.29 47.11 0.94 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.879 -1.138 . . . . 0.0 110.26 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -156.27 148.64 23.52 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.371 -0.831 . . . . 0.0 110.185 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -140.17 149.44 42.98 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.395 -0.816 . . . . 0.0 110.22 -179.926 -144.645 95.095 -133.477 104.207 2.02 104.196 65.233 -128.741 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.415 HG13 ' O ' ' A' ' 14' ' ' VAL . 9.8 p -144.54 132.61 17.46 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.338 -0.851 . . . . 0.0 110.216 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 67.6 m -124.48 149.22 47.09 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.382 -0.824 . . . . 0.0 110.232 -179.944 -72.227 -105.791 122.835 104.209 2.02 104.224 -62.669 -91.204 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 35.4 m -137.49 143.82 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.342 -0.849 . . . . 0.0 110.193 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -148.03 158.73 27.8 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.661 0 O-C-N 121.322 -1.104 . . . . 0.0 110.179 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.174 0.511 . . . . 0.0 110.203 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -109.99 157.48 15.03 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 109.504 -1.438 . . . . 0.0 109.504 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 68.72 -143.08 39.56 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.19 143.94 15.88 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.77 149.29 38.74 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.394 -1.063 . . . . 0.0 110.159 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 41.8 t -162.36 129.73 3.81 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.392 -0.818 . . . . 0.0 110.088 -179.994 177.976 41.388 50.32 104.886 2.021 104.502 -136.971 -55.991 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -157.29 150.8 24.06 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.375 -0.828 . . . . 0.0 110.28 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' CYS . . . . . 0.862 ' HA ' ' HA ' ' B' ' 13' ' ' CYS . 33.1 m -108.2 132.48 53.59 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.36 -0.838 . . . . 0.0 109.694 179.763 -50.448 -40.398 -64.345 104.834 2.021 104.278 108.004 -162.744 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.99 153.71 50.07 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.216 -0.928 . . . . 0.0 110.388 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 21.5 mmt180 52.52 -129.53 2.32 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.279 -0.888 . . . . 0.0 109.797 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 -109.97 41.73 1.66 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.919 -1.113 . . . . 0.0 109.64 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -167.89 145.41 4.35 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.597 -0.689 . . . . 0.0 109.642 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' CYS . . . . . 0.862 ' HA ' ' HA ' ' B' ' 8' ' ' CYS . 8.6 t -103.74 143.92 32.16 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.202 -0.936 . . . . 0.0 110.352 -179.888 -162.744 108.004 -64.345 104.278 2.021 104.834 -40.398 -50.448 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.545 ' O ' HG13 ' B' ' 14' ' ' VAL . 12.4 p -133.35 122.73 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.413 -0.805 . . . . 0.0 109.926 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 60.9 m -132.52 143.93 50.08 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.344 -0.847 . . . . 0.0 110.16 -179.734 -55.991 -136.971 50.32 104.502 2.021 104.886 41.388 177.976 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 35.4 m -135.35 148.5 28.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.391 -0.818 . . . . 0.0 110.319 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -130.61 150.48 19.28 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.511 -1.435 . . . . 0.0 109.511 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 3.5 ttt-85 . . . . . 0 N--CA 1.492 1.641 0 O-C-N 121.419 -1.048 . . . . 0.0 110.227 -179.947 . . . . . . . . 0 0 . 1 stop_ save_