data_1b5n_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 1b5n _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' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -56.69 166.72 0.88 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -104.87 154.13 20.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 110.98 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -102.09 49.17 0.86 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.269 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 134.38 -30.59 2.88 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.496 1.123 . . . . 0.0 110.994 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 132.2 43.74 0.16 Allowed Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 39.9 m -114.57 -176.82 2.98 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.953 -77.257 -15.854 -103.628 110.542 2.1 91.645 -91.643 -69.013 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.524 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 15.0 tp -87.84 -55.59 3.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.354 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.524 ' CB ' ' O ' ' A' ' 8' ' ' LEU . . . 161.51 95.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.48 -38.98 2.31 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -56.97 155.41 8.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 0.733 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.6 ptt? -110.53 160.35 16.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 111.013 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.89 103.29 15.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 110.233 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 41.4 p -60.04 -164.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.387 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.89 -1.08 56.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.351 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.76 -11.69 10.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.571 1.169 . . . . 0.0 109.341 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.03 -1.55 59.41 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.75 109.0 2.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 0.757 . . . . 0.0 110.339 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 96.2 m -59.23 95.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 108.224 -179.945 -69.013 -91.643 -103.628 91.645 2.1 110.542 -15.854 -77.257 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -96.07 173.44 4.23 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.489 ' HB3' ' CZ ' ' A' ' 23' ' ' PHE . 18.5 Cg_endo -74.87 143.67 29.81 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.464 1.77 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.5 m -110.83 7.61 21.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.386 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.489 ' CZ ' ' HB3' ' A' ' 21' ' ' PRO . 17.6 p90 . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.405 1.066 . . . . 0.0 111.023 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -56.69 166.72 0.88 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -104.87 154.13 20.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 110.98 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -102.09 49.17 0.86 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.269 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 134.38 -30.59 2.88 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.496 1.123 . . . . 0.0 110.994 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 132.2 43.74 0.16 Allowed Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 39.9 m -114.57 -176.82 2.98 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.953 -77.257 -15.854 -103.628 110.542 2.1 91.645 -91.643 -69.013 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.712 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 15.0 tp -87.84 -55.59 3.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.354 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.712 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.51 95.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.48 -38.98 2.31 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.404 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 92.7 m-85 -56.97 155.41 8.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 0.733 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.421 ' HE2' ' HB3' ' A' ' 20' ' ' LYS . 1.6 ptt? -110.53 160.35 16.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.89 103.29 15.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 110.233 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.485 HG23 ' O ' ' A' ' 18' ' ' ARG . 41.4 p -60.04 -164.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.387 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.89 -1.08 56.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.351 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.76 -11.69 10.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.571 1.169 . . . . 0.0 109.341 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.03 -1.55 59.41 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.485 ' O ' HG23 ' A' ' 14' ' ' THR . 0.0 OUTLIER -66.75 109.0 2.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 0.757 . . . . 0.0 110.339 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 96.2 m -59.23 95.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 108.224 -179.945 -69.013 -91.643 -103.628 91.645 2.1 110.542 -15.854 -77.257 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.421 ' HB3' ' HE2' ' A' ' 12' ' ' MET . 12.6 mttt -96.07 173.44 4.23 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.488 ' HB3' ' CZ ' ' A' ' 23' ' ' PHE . 18.5 Cg_endo -74.87 143.67 29.81 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.464 1.77 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.5 m -110.83 7.61 21.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.386 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.488 ' CZ ' ' HB3' ' A' ' 21' ' ' PRO . 17.6 p90 . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.405 1.066 . . . . 0.0 111.023 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -56.69 166.72 0.88 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -104.87 154.13 20.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 110.98 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -102.09 49.17 0.86 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.269 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 134.38 -30.59 2.88 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.496 1.123 . . . . 0.0 110.994 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 132.2 43.74 0.16 Allowed Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 39.9 m -114.57 -176.82 2.98 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.953 -77.257 -15.854 -103.628 110.542 2.1 91.645 -91.643 -69.013 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.712 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 15.0 tp -87.84 -55.59 3.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.354 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.712 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.51 95.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.48 -38.98 2.31 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.404 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 92.7 m-85 -56.97 155.41 8.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 0.733 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.421 ' HE2' ' HB3' ' A' ' 20' ' ' LYS . 1.6 ptt? -110.53 160.35 16.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.89 103.29 15.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 110.233 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.485 HG23 ' O ' ' A' ' 18' ' ' ARG . 41.4 p -60.04 -164.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.387 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.89 -1.08 56.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.351 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.76 -11.69 10.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.571 1.169 . . . . 0.0 109.341 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.03 -1.55 59.41 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.485 ' O ' HG23 ' A' ' 14' ' ' THR . 0.0 OUTLIER -66.75 109.0 2.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 0.757 . . . . 0.0 110.339 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 96.2 m -59.23 95.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 108.224 -179.945 -69.013 -91.643 -103.628 91.645 2.1 110.542 -15.854 -77.257 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.421 ' HB3' ' HE2' ' A' ' 12' ' ' MET . 12.6 mttt -96.07 173.44 4.23 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.488 ' HB3' ' CZ ' ' A' ' 23' ' ' PHE . 18.5 Cg_endo -74.87 143.67 29.81 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.464 1.77 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.5 m -110.83 7.61 21.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.386 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.488 ' CZ ' ' HB3' ' A' ' 21' ' ' PRO . 17.6 p90 . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.405 1.066 . . . . 0.0 111.023 179.975 . . . . . . . . 1 1 . 1 stop_ save_