data_1eds_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 1eds _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' ' ' THR . . . . . . . . . . . . . 6.2 t . . . . . 0 N--CA 1.475 0.793 0 N-CA-C 108.211 -1.033 . . . . 0.62 108.211 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.0 p -77.31 53.58 1.03 Allowed 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.643 1.177 . . . . 0.62 108.518 167.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 24.3 mt 57.98 -72.67 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.608 1.563 . . . . 0.62 111.141 -161.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 60.3 t80 50.58 59.96 4.2 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.929 1.291 . . . . 0.62 109.819 -176.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.9 t 43.26 76.16 0.08 Allowed 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.816 1.647 . . . . 0.62 110.67 -172.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -44.37 -29.62 0.71 Allowed 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 126.667 1.987 . . . . 0.62 115.267 -168.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -31.15 -45.83 0.08 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.712 1.605 . . . . 0.62 111.493 163.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 40.8 t-80 -53.66 77.18 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.917 2.087 . . . . 0.62 111.071 165.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 81.01 -60.19 4.7 Favored Glycine 0 CA--C 1.527 0.796 0 C-N-CA 124.322 0.963 . . . . 0.62 111.598 173.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -76.04 41.88 0.24 Allowed 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.499 1.12 . . . . 0.62 112.048 -175.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -48.36 -56.92 6.86 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.511 1.124 . . . . 0.62 111.445 -170.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 73.4 t -51.84 -30.32 12.0 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 124.96 1.304 . . . . 0.62 111.972 -176.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -76.6 -17.5 59.15 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 118.013 -0.994 . . . . 0.62 112.315 -174.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -47.65 102.34 0.05 OUTLIER Glycine 0 CA--C 1.537 1.436 0 CA-C-O 118.354 -1.248 . . . . 0.62 114.192 -174.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -77.42 -81.43 0.0 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 122.856 2.371 . . . . 0.53000000000000003 111.289 -176.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.4 m -84.72 47.3 1.36 Allowed 'General case' 0 CA--C 1.532 0.288 0 O-C-N 120.895 -1.128 . . . . 0.62 109.842 -170.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 54.62 -84.04 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 C-N-CA 125.406 1.479 . . . . 0.62 111.915 -175.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 44.0 t -79.81 -58.73 3.03 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 124.631 1.173 . . . . 0.82999999999999996 110.253 -179.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 79.67 13.99 1.01 Allowed 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 126.36 1.864 . . . . 0.68000000000000005 112.923 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.6 tt -61.83 -45.44 93.82 Favored 'General case' 0 C--N 1.337 0.065 0 O-C-N 121.46 -0.775 . . . . 0.62 111.794 178.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -46.74 87.88 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.249 0.62 . . . . 0.70999999999999996 109.523 -179.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.32 -53.71 27.64 Favored Glycine 0 CA--C 1.528 0.882 0 N-CA-C 111.568 -0.613 . . . . 0.62 111.568 -178.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -110.76 -56.3 2.37 Favored 'General case' 0 C--O 1.223 -0.313 0 C-N-CA 123.293 0.637 . . . . 0.62 112.683 -161.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.8 m-30 -75.0 -34.66 61.99 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 120.989 -1.07 . . . . 0.62 110.753 -167.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.2 -49.5 76.82 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.238 0.615 . . . . 0.62 109.814 173.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.7 p -72.96 -72.42 0.25 Allowed 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.246 -0.65 . . . . 0.62 109.246 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.2 mp -75.47 67.93 2.07 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.509 1.123 . . . . 0.62 109.413 178.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 160.48 -66.13 0.27 Allowed Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.293 -1.123 . . . . 0.62 110.293 174.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.02 -43.89 95.19 Favored Glycine 0 CA--C 1.531 1.085 0 CA-C-O 119.704 -0.498 . . . . 0.62 112.366 -179.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 72.31 153.56 0.13 Allowed 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 127.014 2.126 . . . . 0.70999999999999996 109.709 -160.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 31.2 pt . . . . . 0 C--O 1.251 1.165 0 CA-C-O 117.498 -1.239 . . . . 0.52000000000000002 110.981 -174.322 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 6.2 t . . . . . 0 N--CA 1.475 0.793 0 N-CA-C 108.211 -1.033 . . . . 0.62 108.211 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.0 p -77.31 53.58 1.03 Allowed 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.643 1.177 . . . . 0.62 108.518 167.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 24.3 mt 57.98 -72.67 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.608 1.563 . . . . 0.62 111.141 -161.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 60.3 t80 50.58 59.96 4.2 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.929 1.291 . . . . 0.62 109.819 -176.022 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.9 t 43.26 76.16 0.08 Allowed 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.816 1.647 . . . . 0.62 110.67 -172.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -44.37 -29.62 0.71 Allowed 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 126.667 1.987 . . . . 0.62 115.267 -168.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -31.15 -45.83 0.08 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.712 1.605 . . . . 0.62 111.493 163.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 40.8 t-80 -53.66 77.18 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.917 2.087 . . . . 0.62 111.071 165.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 81.01 -60.19 4.7 Favored Glycine 0 CA--C 1.527 0.796 0 C-N-CA 124.322 0.963 . . . . 0.62 111.598 173.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -76.04 41.88 0.24 Allowed 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.499 1.12 . . . . 0.62 112.048 -175.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -48.36 -56.92 6.86 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.511 1.124 . . . . 0.62 111.445 -170.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 73.4 t -51.84 -30.32 12.0 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 124.96 1.304 . . . . 0.62 111.972 -176.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -76.6 -17.5 59.15 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 118.013 -0.994 . . . . 0.62 112.315 -174.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -47.65 102.34 0.05 OUTLIER Glycine 0 CA--C 1.537 1.436 0 CA-C-O 118.354 -1.248 . . . . 0.62 114.192 -174.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -77.42 -81.43 0.0 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 122.856 2.371 . . . . 0.53 111.289 -176.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.4 m -84.72 47.3 1.36 Allowed 'General case' 0 CA--C 1.532 0.288 0 O-C-N 120.895 -1.128 . . . . 0.62 109.842 -170.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 54.62 -84.04 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 C-N-CA 125.406 1.479 . . . . 0.62 111.915 -175.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 44.0 t -79.81 -58.73 3.03 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 124.631 1.173 . . . . 0.83 110.253 -179.104 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 79.67 13.99 1.01 Allowed 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 126.36 1.864 . . . . 0.68 112.923 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.6 tt -61.83 -45.44 93.82 Favored 'General case' 0 C--N 1.337 0.065 0 O-C-N 121.46 -0.775 . . . . 0.62 111.794 178.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -46.74 87.88 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.249 0.62 . . . . 0.71 109.523 -179.567 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.32 -53.71 27.64 Favored Glycine 0 CA--C 1.528 0.882 0 N-CA-C 111.568 -0.613 . . . . 0.62 111.568 -178.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -110.76 -56.3 2.37 Favored 'General case' 0 C--O 1.223 -0.313 0 C-N-CA 123.293 0.637 . . . . 0.62 112.683 -161.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.8 m-30 -75.0 -34.66 61.99 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 120.989 -1.07 . . . . 0.62 110.753 -167.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.2 -49.5 76.82 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.238 0.615 . . . . 0.62 109.814 173.13 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.7 p -72.96 -72.42 0.25 Allowed 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.246 -0.65 . . . . 0.62 109.246 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.2 mp -75.47 67.93 2.07 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.509 1.123 . . . . 0.62 109.413 178.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 160.48 -66.13 0.27 Allowed Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.293 -1.123 . . . . 0.62 110.293 174.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.02 -43.89 95.19 Favored Glycine 0 CA--C 1.531 1.085 0 CA-C-O 119.704 -0.498 . . . . 0.62 112.366 -179.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 72.31 153.56 0.13 Allowed 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 127.014 2.126 . . . . 0.71 109.709 -160.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 31.2 pt . . . . . 0 C--O 1.251 1.165 0 CA-C-O 117.498 -1.239 . . . . 0.52 110.981 -174.322 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 6.2 t . . . . . 0 N--CA 1.475 0.793 0 N-CA-C 108.211 -1.033 . . . . 0.62 108.211 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.0 p -77.31 53.58 1.03 Allowed 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.643 1.177 . . . . 0.62 108.518 167.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 24.3 mt 57.98 -72.67 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.608 1.563 . . . . 0.62 111.141 -161.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 60.3 t80 50.58 59.96 4.2 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.929 1.291 . . . . 0.62 109.819 -176.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.9 t 43.26 76.16 0.08 Allowed 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.816 1.647 . . . . 0.62 110.67 -172.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -44.37 -29.62 0.71 Allowed 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 126.667 1.987 . . . . 0.62 115.267 -168.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -31.15 -45.83 0.08 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.712 1.605 . . . . 0.62 111.493 163.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 40.8 t-80 -53.66 77.18 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.917 2.087 . . . . 0.62 111.071 165.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 81.01 -60.19 4.7 Favored Glycine 0 CA--C 1.527 0.796 0 C-N-CA 124.322 0.963 . . . . 0.62 111.598 173.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -76.04 41.88 0.24 Allowed 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.499 1.12 . . . . 0.62 112.048 -175.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -48.36 -56.92 6.86 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.511 1.124 . . . . 0.62 111.445 -170.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 73.4 t -51.84 -30.32 12.0 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 124.96 1.304 . . . . 0.62 111.972 -176.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -76.6 -17.5 59.15 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 118.013 -0.994 . . . . 0.62 112.315 -174.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -47.65 102.34 0.05 OUTLIER Glycine 0 CA--C 1.537 1.436 0 CA-C-O 118.354 -1.248 . . . . 0.62 114.192 -174.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -77.42 -81.43 0.0 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 122.856 2.371 . . . . 0.53 111.289 -176.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.4 m -84.72 47.3 1.36 Allowed 'General case' 0 CA--C 1.532 0.288 0 O-C-N 120.895 -1.128 . . . . 0.62 109.842 -170.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 54.62 -84.04 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 C-N-CA 125.406 1.479 . . . . 0.62 111.915 -175.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 44.0 t -79.81 -58.73 3.03 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 124.631 1.173 . . . . 0.83 110.253 -179.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 79.67 13.99 1.01 Allowed 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 126.36 1.864 . . . . 0.68 112.923 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.6 tt -61.83 -45.44 93.82 Favored 'General case' 0 C--N 1.337 0.065 0 O-C-N 121.46 -0.775 . . . . 0.62 111.794 178.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -46.74 87.88 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.249 0.62 . . . . 0.71 109.523 -179.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.32 -53.71 27.64 Favored Glycine 0 CA--C 1.528 0.882 0 N-CA-C 111.568 -0.613 . . . . 0.62 111.568 -178.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -110.76 -56.3 2.37 Favored 'General case' 0 C--O 1.223 -0.313 0 C-N-CA 123.293 0.637 . . . . 0.62 112.683 -161.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.8 m-30 -75.0 -34.66 61.99 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 120.989 -1.07 . . . . 0.62 110.753 -167.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.2 -49.5 76.82 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.238 0.615 . . . . 0.62 109.814 173.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.7 p -72.96 -72.42 0.25 Allowed 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.246 -0.65 . . . . 0.62 109.246 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.2 mp -75.47 67.93 2.07 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.509 1.123 . . . . 0.62 109.413 178.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 160.48 -66.13 0.27 Allowed Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.293 -1.123 . . . . 0.62 110.293 174.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.02 -43.89 95.19 Favored Glycine 0 CA--C 1.531 1.085 0 CA-C-O 119.704 -0.498 . . . . 0.62 112.366 -179.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 72.31 153.56 0.13 Allowed 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 127.014 2.126 . . . . 0.71 109.709 -160.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 31.2 pt . . . . . 0 C--O 1.251 1.165 0 CA-C-O 117.498 -1.239 . . . . 0.52 110.981 -174.322 . . . . . . . . 0 0 . 1 stop_ save_