data_2na5_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 2na5 _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 ' 3' ' ' ILE . . . . . 0.529 HD12 ' HB3' ' A' ' 28' ' ' TYR . 27.5 pt . . . . . 0 N--CA 1.478 0.948 0 CA-C-O 117.932 -1.032 . . . . 0.0 110.517 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' 4QK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -81.99 -159.49 0.11 Allowed 'Trans proline' 0 CA--C 1.544 0.987 0 C-N-CA 124.458 3.439 . . . . 0.0 115.34 -170.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 30.5 mp0 -78.59 117.43 19.75 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 125.369 1.468 . . . . 0.0 112.239 172.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -109.77 131.75 21.76 Favored Pre-proline 0 N--CA 1.483 1.223 0 N-CA-C 115.778 1.77 . . . . 0.0 115.778 -174.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -81.03 -152.76 0.04 OUTLIER 'Trans proline' 0 CA--C 1.546 1.102 0 C-N-CA 124.65 3.567 . . . . 0.0 116.727 -169.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 125.38 29.44 0.99 Allowed Glycine 0 CA--C 1.546 1.986 0 N-CA-C 117.694 1.838 . . . . 0.0 117.694 172.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 -119.18 -30.15 5.03 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 117.538 2.421 . . . . 0.0 117.538 -172.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.47 -77.13 0.6 Allowed 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 115.592 1.701 . . . . 0.0 115.592 -172.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -158.15 138.17 12.34 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.182 0.993 . . . . 0.0 111.045 -171.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.9 m -55.68 -59.0 12.62 Favored Pre-proline 0 N--CA 1.485 1.289 0 N-CA-C 116.903 2.186 . . . . 0.0 116.903 -168.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.449 ' HG2' ' OE1' ' A' ' 16' ' ' GLU . 60.2 Cg_endo -65.69 -40.11 18.57 Favored 'Trans proline' 0 CA--C 1.539 0.727 0 CA-C-N 122.533 1.94 . . . . 0.0 114.825 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.449 ' OE1' ' HG2' ' A' ' 15' ' ' PRO . 21.8 mp0 -56.38 -43.88 79.68 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 171.177 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -75.08 -26.1 59.08 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 117.18 2.289 . . . . 0.0 117.18 172.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 79.9 mt -57.13 -47.2 81.72 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-O 119.002 -0.523 . . . . 0.0 111.2 164.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -56.65 -45.19 81.78 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 113.537 0.939 . . . . 0.0 113.537 175.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 75.1 mtp85 -56.0 -52.38 64.4 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 173.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -65.37 -38.81 91.17 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 177.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -63.41 -35.91 81.97 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 114.568 1.322 . . . . 0.0 114.568 170.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.18 -47.67 78.92 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 169.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.2 m -57.09 -41.66 79.29 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 169.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.9 tp -54.86 -55.13 33.73 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.276 1.03 . . . . 0.0 113.759 172.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 39.8 mtm-85 -62.64 -40.48 97.14 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 178.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -58.13 -53.1 62.1 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.006 0.922 . . . . 0.0 113.322 170.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.529 ' HB3' HD12 ' A' ' 3' ' ' ILE . 5.6 m-85 -60.8 -33.4 72.94 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 115.468 1.655 . . . . 0.0 115.468 176.128 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 36.6 mt -67.93 -49.72 60.18 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 167.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -58.77 -32.9 69.71 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 175.043 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.7 tp -58.98 -32.66 69.86 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 125.782 1.633 . . . . 0.0 114.177 172.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 35.6 m -118.57 -41.58 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 N-CA-C 119.345 3.091 . . . . 0.0 119.345 -173.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.1 t -125.1 145.01 50.13 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 124.266 1.026 . . . . 0.0 112.964 -170.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -88.83 86.22 6.92 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-O 123.106 1.431 . . . . 0.0 113.738 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -138.75 151.15 46.86 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 108.502 -3.954 . . . . 0.0 106.035 170.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 -130.06 153.63 48.26 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 116.046 1.869 . . . . 0.0 116.046 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 . . . . . 0 C--O 1.25 1.125 0 N-CA-C 114.944 1.461 . . . . 0.0 114.944 179.51 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' CNC . . . . . 0.628 ' C9B' ' HN4' ' A' ' 101' ' ' CNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.538 HD12 ' HB3' ' A' ' 28' ' ' TYR . 27.5 pt . . . . . 0 N--CA 1.478 0.948 0 CA-C-O 117.932 -1.032 . . . . 0.0 110.517 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' 4QK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -81.99 -159.49 0.11 Allowed 'Trans proline' 0 CA--C 1.544 0.987 0 C-N-CA 124.458 3.439 . . . . 0.0 115.34 -170.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 30.5 mp0 -78.59 117.43 19.75 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 125.369 1.468 . . . . 0.0 112.239 172.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -109.77 131.75 21.76 Favored Pre-proline 0 N--CA 1.483 1.223 0 N-CA-C 115.778 1.77 . . . . 0.0 115.778 -174.125 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -81.03 -152.76 0.04 OUTLIER 'Trans proline' 0 CA--C 1.546 1.102 0 C-N-CA 124.65 3.567 . . . . 0.0 116.727 -169.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 125.38 29.44 0.99 Allowed Glycine 0 CA--C 1.546 1.986 0 N-CA-C 117.694 1.838 . . . . 0.0 117.694 172.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 -119.18 -30.15 5.03 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 117.538 2.421 . . . . 0.0 117.538 -172.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.47 -77.13 0.6 Allowed 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 115.592 1.701 . . . . 0.0 115.592 -172.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -158.15 138.17 12.34 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.182 0.993 . . . . 0.0 111.045 -171.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.9 m -55.68 -59.0 12.62 Favored Pre-proline 0 N--CA 1.485 1.289 0 N-CA-C 116.903 2.186 . . . . 0.0 116.903 -168.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.438 ' HG2' ' OE1' ' A' ' 16' ' ' GLU . 60.2 Cg_endo -65.69 -40.11 18.57 Favored 'Trans proline' 0 CA--C 1.539 0.727 0 CA-C-N 122.533 1.94 . . . . 0.0 114.825 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.438 ' OE1' ' HG2' ' A' ' 15' ' ' PRO . 21.8 mp0 -56.38 -43.88 79.68 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 171.177 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -75.08 -26.1 59.08 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 117.18 2.289 . . . . 0.0 117.18 172.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 79.9 mt -57.13 -47.2 81.72 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-O 119.002 -0.523 . . . . 0.0 111.2 164.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -56.65 -45.19 81.78 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 113.537 0.939 . . . . 0.0 113.537 175.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 75.1 mtp85 -56.0 -52.38 64.4 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 173.078 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -65.37 -38.81 91.17 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 177.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -63.41 -35.91 81.97 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 114.568 1.322 . . . . 0.0 114.568 170.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.18 -47.67 78.92 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 169.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.2 m -57.09 -41.66 79.29 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 169.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.9 tp -54.86 -55.13 33.73 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.276 1.03 . . . . 0.0 113.759 172.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 39.8 mtm-85 -62.64 -40.48 97.14 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 178.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -58.13 -53.1 62.1 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.006 0.922 . . . . 0.0 113.322 170.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.538 ' HB3' HD12 ' A' ' 3' ' ' ILE . 5.6 m-85 -60.8 -33.4 72.94 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 115.468 1.655 . . . . 0.0 115.468 176.128 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 36.6 mt -67.93 -49.72 60.18 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 167.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -58.77 -32.9 69.71 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 175.043 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.7 tp -58.98 -32.66 69.86 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 125.782 1.633 . . . . 0.0 114.177 172.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 35.6 m -118.57 -41.58 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 N-CA-C 119.345 3.091 . . . . 0.0 119.345 -173.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.1 t -125.1 145.01 50.13 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 124.266 1.026 . . . . 0.0 112.964 -170.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -88.83 86.22 6.92 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-O 123.106 1.431 . . . . 0.0 113.738 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -138.75 151.15 46.86 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 108.502 -3.954 . . . . 0.0 106.035 170.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 -130.06 153.63 48.26 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 116.046 1.869 . . . . 0.0 116.046 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 . . . . . 0 C--O 1.25 1.125 0 N-CA-C 114.944 1.461 . . . . 0.0 114.944 179.51 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' CNC . . . . . 0.582 H531 H552 ' A' ' 101' ' ' CNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.538 HD12 ' HB3' ' A' ' 28' ' ' TYR . 27.5 pt . . . . . 0 N--CA 1.478 0.948 0 CA-C-O 117.932 -1.032 . . . . 0.0 110.517 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' 4QK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -81.99 -159.49 0.11 Allowed 'Trans proline' 0 CA--C 1.544 0.987 0 C-N-CA 124.458 3.439 . . . . 0.0 115.34 -170.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 30.5 mp0 -78.59 117.43 19.75 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 125.369 1.468 . . . . 0.0 112.239 172.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -109.77 131.75 21.76 Favored Pre-proline 0 N--CA 1.483 1.223 0 N-CA-C 115.778 1.77 . . . . 0.0 115.778 -174.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -81.03 -152.76 0.04 OUTLIER 'Trans proline' 0 CA--C 1.546 1.102 0 C-N-CA 124.65 3.567 . . . . 0.0 116.727 -169.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 125.38 29.44 0.99 Allowed Glycine 0 CA--C 1.546 1.986 0 N-CA-C 117.694 1.838 . . . . 0.0 117.694 172.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 -119.18 -30.15 5.03 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 117.538 2.421 . . . . 0.0 117.538 -172.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.47 -77.13 0.6 Allowed 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 115.592 1.701 . . . . 0.0 115.592 -172.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -158.15 138.17 12.34 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.182 0.993 . . . . 0.0 111.045 -171.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.9 m -55.68 -59.0 12.62 Favored Pre-proline 0 N--CA 1.485 1.289 0 N-CA-C 116.903 2.186 . . . . 0.0 116.903 -168.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.438 ' HG2' ' OE1' ' A' ' 16' ' ' GLU . 60.2 Cg_endo -65.69 -40.11 18.57 Favored 'Trans proline' 0 CA--C 1.539 0.727 0 CA-C-N 122.533 1.94 . . . . 0.0 114.825 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.438 ' OE1' ' HG2' ' A' ' 15' ' ' PRO . 21.8 mp0 -56.38 -43.88 79.68 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 171.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -75.08 -26.1 59.08 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 117.18 2.289 . . . . 0.0 117.18 172.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 79.9 mt -57.13 -47.2 81.72 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-O 119.002 -0.523 . . . . 0.0 111.2 164.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -56.65 -45.19 81.78 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 113.537 0.939 . . . . 0.0 113.537 175.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 75.1 mtp85 -56.0 -52.38 64.4 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 173.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -65.37 -38.81 91.17 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 177.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -63.41 -35.91 81.97 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 114.568 1.322 . . . . 0.0 114.568 170.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.18 -47.67 78.92 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 169.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.2 m -57.09 -41.66 79.29 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 169.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.9 tp -54.86 -55.13 33.73 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.276 1.03 . . . . 0.0 113.759 172.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 39.8 mtm-85 -62.64 -40.48 97.14 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 178.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -58.13 -53.1 62.1 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.006 0.922 . . . . 0.0 113.322 170.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.538 ' HB3' HD12 ' A' ' 3' ' ' ILE . 5.6 m-85 -60.8 -33.4 72.94 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 115.468 1.655 . . . . 0.0 115.468 176.128 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 36.6 mt -67.93 -49.72 60.18 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 167.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -58.77 -32.9 69.71 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 175.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.7 tp -58.98 -32.66 69.86 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 125.782 1.633 . . . . 0.0 114.177 172.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 35.6 m -118.57 -41.58 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 N-CA-C 119.345 3.091 . . . . 0.0 119.345 -173.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.1 t -125.1 145.01 50.13 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 124.266 1.026 . . . . 0.0 112.964 -170.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -88.83 86.22 6.92 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-O 123.106 1.431 . . . . 0.0 113.738 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -138.75 151.15 46.86 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 108.502 -3.954 . . . . 0.0 106.035 170.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 -130.06 153.63 48.26 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 116.046 1.869 . . . . 0.0 116.046 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 . . . . . 0 C--O 1.25 1.125 0 N-CA-C 114.944 1.461 . . . . 0.0 114.944 179.51 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' CNC . . . . . 0.582 H531 H552 ' A' ' 101' ' ' CNC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_