data_1mnb_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 1mnb _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 ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.447 2.758 1 OP1-P-OP2 109.425 -6.784 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--OP2 1.531 2.697 1 OP1-P-OP2 109.012 -7.059 . 0.722 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.455 3.395 1 OP1-P-OP2 108.993 -7.071 . 0.86 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.452 3.125 1 OP1-P-OP2 109.031 -7.046 . 0.823 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.452 3.178 1 OP1-P-OP2 108.995 -7.07 . 0.709 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.811 1 OP1-P-OP2 108.782 -7.212 . 0.594 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.064 3 OP1-P-OP2 109.25 -6.9 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.635 4.159 3 P-O3'-C3' 129.771 8.393 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ' U' . . . . . 0.485 HO2' " C5'" ' B' ' 10' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.549 3.034 2 OP1-P-OP2 108.574 -7.351 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ' A' . . . . . 0.485 " C5'" HO2' ' B' ' 9' ' ' ' U' . . . . . . . . 0 P--O5' 1.632 3.857 3 OP1-P-OP2 108.847 -7.168 . 0.01 2a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ' G' . . . . . 0.524 HO2' " H5'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.447 2.739 1 OP1-P-OP2 109.096 -7.003 . 0.701 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . 0.524 " H5'" HO2' ' B' ' 11' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.447 2.738 1 OP1-P-OP2 109.12 -6.987 . 0.915 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--OP2 1.531 2.692 2 OP1-P-OP2 109.097 -7.002 . 0.678 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--OP2 1.531 2.73 3 OP1-P-OP2 108.862 -7.159 . 0.5 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.4 1 OP1-P-OP2 108.934 -7.111 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.451 3.109 3 OP1-P-OP2 109.293 -6.871 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.095 2 OP1-P-OP2 109.521 -6.72 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.886 1 OP1-P-OP2 108.998 -7.068 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.949 3 P-O3'-C3' 131.665 9.971 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ' C' . . . . . 0.543 ' H5 ' ' HG1' ' A' ' 5' ' ' THR . . . . . . . . 0 P--OP2 1.531 2.681 2 P-O3'-C3' 130.555 9.046 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 2.998 3 OP1-P-OP2 108.837 -7.175 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.452 3.136 2 OP1-P-OP2 109.22 -6.92 . 0.583 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--OP2 1.531 2.724 2 OP1-P-OP2 109.028 -7.048 . 0.705 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.449 2.91 1 OP1-P-OP2 108.999 -7.067 . 0.785 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.449 2.94 1 OP1-P-OP2 109.061 -7.026 . 0.853 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--OP2 1.531 2.706 1 OP1-P-OP2 109.017 -7.056 . 0.697 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ' C' . . . . . 0.533 HO2' " H5'" ' B' ' 28' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.452 3.127 2 OP1-P-OP2 109.045 -7.037 . 0.71 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ' C' . . . . . 0.533 " H5'" HO2' ' B' ' 27' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.451 3.113 1 OP1-P-OP2 109.05 -7.033 . 0.703 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 49.0 mtp180 . . . . . 0 CA--C 1.57 1.726 0 N-CA-C 105.612 -1.995 . . . . 0.0 105.612 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -75.42 -167.7 0.46 Allowed 'Trans proline' 0 CA--C 1.566 2.081 0 CA-C-N 123.578 2.313 . . . . 0.0 115.749 -167.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 59.9 mtm180 -128.73 83.45 2.15 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 106.256 -1.757 . . . . 0.0 106.256 173.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -39.71 -72.58 0.21 Allowed Glycine 0 N--CA 1.494 2.531 0 N-CA-C 117.971 1.948 . . . . 0.0 117.971 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.543 ' HG1' ' H5 ' ' B' ' 20' ' ' ' C' . 65.9 p -91.27 172.52 8.48 Favored 'General case' 0 CA--C 1.572 1.811 0 N-CA-C 107.061 -1.459 . . . . 0.0 107.061 168.272 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -124.75 32.37 5.46 Favored 'General case' 0 CA--C 1.576 1.953 0 O-C-N 121.269 -0.895 . . . . 0.0 111.621 169.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.95 127.58 1.72 Allowed Glycine 0 C--N 1.356 1.654 0 CA-C-N 119.755 1.161 . . . . 0.0 115.198 175.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 77.0 tttt 51.04 43.19 29.09 Favored 'General case' 0 CA--C 1.578 2.044 0 C-N-CA 125.599 1.559 . . . . 0.0 113.518 -170.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 79.45 49.34 6.26 Favored Glycine 0 CA--C 1.546 2.028 0 N-CA-C 117.592 1.797 . . . . 0.0 117.592 171.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.0 mmp_? -104.31 176.54 5.12 Favored 'General case' 0 CA--C 1.575 1.942 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 169.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -147.79 122.37 9.8 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 119.742 -1.849 . . . . 0.0 109.632 -177.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.417 HD12 ' H ' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -151.67 165.73 2.05 Favored 'Isoleucine or valine' 0 CA--C 1.581 2.14 0 CA-C-O 122.372 1.082 . . . . 0.0 108.185 170.122 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.417 ' H ' HD12 ' A' ' 12' ' ' ILE . 67.2 ttt180 -136.59 107.74 6.78 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 106.612 -1.625 . . . . 0.0 106.612 169.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 69.4 mtp180 . . . . . 0 N--CA 1.499 2.001 0 C-N-CA 126.597 1.959 . . . . 0.0 108.669 -178.006 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.447 2.758 1 OP1-P-OP2 109.425 -6.784 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--OP2 1.531 2.697 1 OP1-P-OP2 109.012 -7.059 . 0.722 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.455 3.395 1 OP1-P-OP2 108.993 -7.071 . 0.86 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.452 3.125 1 OP1-P-OP2 109.031 -7.046 . 0.823 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ' C' . . . . . 0.426 " H2'" ' H8 ' ' B' ' 6' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.452 3.178 1 OP1-P-OP2 108.995 -7.07 . 0.709 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ' G' . . . . . 0.426 ' H8 ' " H2'" ' B' ' 5' ' ' ' C' . . . . . . . . 0 P--O5' 1.621 2.811 1 OP1-P-OP2 108.782 -7.212 . 0.594 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.064 3 OP1-P-OP2 109.25 -6.9 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.635 4.159 3 P-O3'-C3' 129.771 8.393 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.034 2 OP1-P-OP2 108.574 -7.351 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.857 3 OP1-P-OP2 108.847 -7.168 . 0.01 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.447 2.739 1 OP1-P-OP2 109.096 -7.003 . 0.701 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.447 2.738 1 OP1-P-OP2 109.12 -6.987 . 0.915 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--OP2 1.531 2.692 2 OP1-P-OP2 109.097 -7.002 . 0.678 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--OP2 1.531 2.73 3 OP1-P-OP2 108.862 -7.159 . 0.5 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.4 1 OP1-P-OP2 108.934 -7.111 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.451 3.109 3 OP1-P-OP2 109.293 -6.871 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.095 2 OP1-P-OP2 109.521 -6.72 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.886 1 OP1-P-OP2 108.998 -7.068 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.949 3 P-O3'-C3' 131.665 9.971 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--OP2 1.531 2.681 2 P-O3'-C3' 130.555 9.046 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 2.998 3 OP1-P-OP2 108.837 -7.175 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.452 3.136 2 OP1-P-OP2 109.22 -6.92 . 0.583 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--OP2 1.531 2.724 2 OP1-P-OP2 109.028 -7.048 . 0.705 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.449 2.91 1 OP1-P-OP2 108.999 -7.067 . 0.785 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.449 2.94 1 OP1-P-OP2 109.061 -7.026 . 0.853 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--OP2 1.531 2.706 1 OP1-P-OP2 109.017 -7.056 . 0.697 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.452 3.127 2 OP1-P-OP2 109.045 -7.037 . 0.71 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.451 3.113 1 OP1-P-OP2 109.05 -7.033 . 0.703 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 49.0 mtp180 . . . . . 0 CA--C 1.57 1.726 0 N-CA-C 105.612 -1.995 . . . . 0.0 105.612 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -75.42 -167.7 0.46 Allowed 'Trans proline' 0 CA--C 1.566 2.081 0 CA-C-N 123.578 2.313 . . . . 0.0 115.749 -167.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 59.9 mtm180 -128.73 83.45 2.15 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 106.256 -1.757 . . . . 0.0 106.256 173.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -39.71 -72.58 0.21 Allowed Glycine 0 N--CA 1.494 2.531 0 N-CA-C 117.971 1.948 . . . . 0.0 117.971 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 65.9 p -91.27 172.52 8.48 Favored 'General case' 0 CA--C 1.572 1.811 0 N-CA-C 107.061 -1.459 . . . . 0.0 107.061 168.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -124.75 32.37 5.46 Favored 'General case' 0 CA--C 1.576 1.953 0 O-C-N 121.269 -0.895 . . . . 0.0 111.621 169.307 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.95 127.58 1.72 Allowed Glycine 0 C--N 1.356 1.654 0 CA-C-N 119.755 1.161 . . . . 0.0 115.198 175.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 77.0 tttt 51.04 43.19 29.09 Favored 'General case' 0 CA--C 1.578 2.044 0 C-N-CA 125.599 1.559 . . . . 0.0 113.518 -170.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 79.45 49.34 6.26 Favored Glycine 0 CA--C 1.546 2.028 0 N-CA-C 117.592 1.797 . . . . 0.0 117.592 171.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.0 mmp_? -104.31 176.54 5.12 Favored 'General case' 0 CA--C 1.575 1.942 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 169.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -147.79 122.37 9.8 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 119.742 -1.849 . . . . 0.0 109.632 -177.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.49 HD13 ' N ' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -151.67 165.73 2.05 Favored 'Isoleucine or valine' 0 CA--C 1.581 2.14 0 CA-C-O 122.372 1.082 . . . . 0.0 108.185 170.122 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.49 ' N ' HD13 ' A' ' 12' ' ' ILE . 67.2 ttt180 -136.59 107.74 6.78 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 106.612 -1.625 . . . . 0.0 106.612 169.699 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 69.4 mtp180 . . . . . 0 N--CA 1.499 2.001 0 C-N-CA 126.597 1.959 . . . . 0.0 108.669 -178.006 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.447 2.758 1 OP1-P-OP2 109.425 -6.784 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--OP2 1.531 2.697 1 OP1-P-OP2 109.012 -7.059 . 0.722 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.455 3.395 1 OP1-P-OP2 108.993 -7.071 . 0.86 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.452 3.125 1 OP1-P-OP2 109.031 -7.046 . 0.823 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ' C' . . . . . 0.426 " H2'" ' H8 ' ' B' ' 6' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.452 3.178 1 OP1-P-OP2 108.995 -7.07 . 0.709 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ' G' . . . . . 0.426 ' H8 ' " H2'" ' B' ' 5' ' ' ' C' . . . . . . . . 0 P--O5' 1.621 2.811 1 OP1-P-OP2 108.782 -7.212 . 0.594 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.064 3 OP1-P-OP2 109.25 -6.9 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.635 4.159 3 P-O3'-C3' 129.771 8.393 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.034 2 OP1-P-OP2 108.574 -7.351 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.857 3 OP1-P-OP2 108.847 -7.168 . 0.01 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.447 2.739 1 OP1-P-OP2 109.096 -7.003 . 0.701 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.447 2.738 1 OP1-P-OP2 109.12 -6.987 . 0.915 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--OP2 1.531 2.692 2 OP1-P-OP2 109.097 -7.002 . 0.678 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--OP2 1.531 2.73 3 OP1-P-OP2 108.862 -7.159 . 0.5 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.4 1 OP1-P-OP2 108.934 -7.111 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.451 3.109 3 OP1-P-OP2 109.293 -6.871 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.095 2 OP1-P-OP2 109.521 -6.72 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.886 1 OP1-P-OP2 108.998 -7.068 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.949 3 P-O3'-C3' 131.665 9.971 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--OP2 1.531 2.681 2 P-O3'-C3' 130.555 9.046 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 2.998 3 OP1-P-OP2 108.837 -7.175 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.452 3.136 2 OP1-P-OP2 109.22 -6.92 . 0.583 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--OP2 1.531 2.724 2 OP1-P-OP2 109.028 -7.048 . 0.705 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.449 2.91 1 OP1-P-OP2 108.999 -7.067 . 0.785 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.449 2.94 1 OP1-P-OP2 109.061 -7.026 . 0.853 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--OP2 1.531 2.706 1 OP1-P-OP2 109.017 -7.056 . 0.697 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.452 3.127 2 OP1-P-OP2 109.045 -7.037 . 0.71 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.451 3.113 1 OP1-P-OP2 109.05 -7.033 . 0.703 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 49.0 mtp180 . . . . . 0 CA--C 1.57 1.726 0 N-CA-C 105.612 -1.995 . . . . 0.0 105.612 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -75.42 -167.7 0.46 Allowed 'Trans proline' 0 CA--C 1.566 2.081 0 CA-C-N 123.578 2.313 . . . . 0.0 115.749 -167.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 59.9 mtm180 -128.73 83.45 2.15 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 106.256 -1.757 . . . . 0.0 106.256 173.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -39.71 -72.58 0.21 Allowed Glycine 0 N--CA 1.494 2.531 0 N-CA-C 117.971 1.948 . . . . 0.0 117.971 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 65.9 p -91.27 172.52 8.48 Favored 'General case' 0 CA--C 1.572 1.811 0 N-CA-C 107.061 -1.459 . . . . 0.0 107.061 168.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -124.75 32.37 5.46 Favored 'General case' 0 CA--C 1.576 1.953 0 O-C-N 121.269 -0.895 . . . . 0.0 111.621 169.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.95 127.58 1.72 Allowed Glycine 0 C--N 1.356 1.654 0 CA-C-N 119.755 1.161 . . . . 0.0 115.198 175.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 77.0 tttt 51.04 43.19 29.09 Favored 'General case' 0 CA--C 1.578 2.044 0 C-N-CA 125.599 1.559 . . . . 0.0 113.518 -170.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 79.45 49.34 6.26 Favored Glycine 0 CA--C 1.546 2.028 0 N-CA-C 117.592 1.797 . . . . 0.0 117.592 171.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.0 mmp_? -104.31 176.54 5.12 Favored 'General case' 0 CA--C 1.575 1.942 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 169.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -147.79 122.37 9.8 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 119.742 -1.849 . . . . 0.0 109.632 -177.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.49 HD13 ' N ' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -151.67 165.73 2.05 Favored 'Isoleucine or valine' 0 CA--C 1.581 2.14 0 CA-C-O 122.372 1.082 . . . . 0.0 108.185 170.122 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.49 ' N ' HD13 ' A' ' 12' ' ' ILE . 67.2 ttt180 -136.59 107.74 6.78 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 106.612 -1.625 . . . . 0.0 106.612 169.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 69.4 mtp180 . . . . . 0 N--CA 1.499 2.001 0 C-N-CA 126.597 1.959 . . . . 0.0 108.669 -178.006 . . . . . . . . 0 0 . 1 stop_ save_