data_1aqr_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 1aqr _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' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.365 0.603 . . . . 7.8799999999999999 110.171 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -106.07 21.49 17.26 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.321 -0.862 . . . . 5.0599999999999996 110.275 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -146.56 143.92 29.21 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.209 -0.932 . . . . 5.2800000000000002 110.302 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.502 ' HA3' ' HA ' ' A' ' 23' ' ' SER . . . -139.13 -135.84 3.33 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.296 -1.522 . . . . 1.3400000000000001 109.296 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.577 ' NE2' ' O ' ' A' ' 24' ' ' CYS . 0.2 OUTLIER -159.38 -86.73 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.089 -1.242 . . . . 1.3899999999999999 109.629 179.748 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -160.46 98.12 1.25 Allowed 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.56 -0.712 . . . . 2.3399999999999999 110.07 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.549 ' HB2' ' HB3' ' A' ' 24' ' ' CYS . 0.6 OUTLIER -84.37 84.57 7.59 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.037 -1.039 . . . . 0.66000000000000003 109.657 179.783 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.495 ' NE2' ' HA ' ' A' ' 8' ' ' GLN . 0.6 OUTLIER -83.79 15.94 3.01 Favored 'General case' 0 C--N 1.294 -1.845 0 N-CA-C 105.041 -2.207 . . . . 3.6400000000000001 105.041 174.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.548 ' CB ' ' SG ' ' A' ' 14' ' ' CYS . 84.4 m -51.4 132.31 29.34 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-O 122.533 1.159 . . . . 0.48999999999999999 112.406 -178.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.471 ' O ' ' O ' ' A' ' 11' ' ' CYS . 80.2 mt-30 -115.2 16.18 16.94 Favored 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 106.936 -1.505 . . . . 2.6800000000000002 106.936 177.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.474 ' HB2' ' HB2' ' A' ' 14' ' ' CYS . 40.6 m -54.37 -158.17 0.0 OUTLIER 'General case' 0 C--N 1.311 -1.085 0 CA-C-O 121.587 0.708 . . . . 0.46000000000000002 110.652 -179.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -98.39 -24.74 10.84 Favored Glycine 0 N--CA 1.488 2.158 0 N-CA-C 108.705 -1.758 . . . . 0.55000000000000004 108.705 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.97 -0.42 30.97 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.464 -1.021 . . . . 1.6100000000000001 109.976 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.548 ' SG ' ' CB ' ' A' ' 9' ' ' CYS . 1.8 m -104.12 -34.86 8.26 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 122.651 1.215 . . . . 0.35999999999999999 109.248 179.483 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -74.02 -23.21 59.39 Favored 'General case' 0 C--N 1.282 -2.329 0 CA-C-N 114.726 -1.124 . . . . 3.6299999999999999 109.779 179.516 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -95.0 -54.23 3.52 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.375 -0.828 . . . . 2.3999999999999999 109.994 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -89.76 91.83 8.8 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.276 -0.89 . . . . 2.1299999999999999 110.116 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.405 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 15.8 mt-10 -86.18 8.8 19.62 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.251 -0.906 . . . . 2.4700000000000002 109.88 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -74.62 -2.35 25.7 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.374 -0.829 . . . . 3.1200000000000001 109.853 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 29.6 p -120.29 16.43 12.26 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.626 -0.671 . . . . 0.68999999999999995 109.759 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.537 ' HA ' ' HB3' ' A' ' 7' ' ' CYS . 75.7 mm-40 -75.49 1.43 14.15 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.301 -0.875 . . . . 3.04 110.47 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 67.7 mttt -128.21 6.07 5.87 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.423 -0.798 . . . . 3.9900000000000002 109.799 179.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.502 ' HA ' ' HA3' ' A' ' 4' ' ' GLY . 51.0 m -160.32 40.51 0.18 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.45 -0.781 . . . . 1.8899999999999999 110.25 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.577 ' O ' ' NE2' ' A' ' 5' ' ' HIS . 0.5 OUTLIER -79.39 127.7 32.42 Favored 'General case' 0 C--N 1.307 -1.248 0 N-CA-C 107.801 -1.185 . . . . 0.93999999999999995 107.801 -179.156 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.6 m -84.84 59.14 5.39 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.115 -0.99 . . . . 2.2799999999999998 111.883 -177.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 60.5 m -121.08 150.31 53.21 Favored Pre-proline 0 C--N 1.302 -1.459 0 O-C-N 121.093 -1.004 . . . . 0.95999999999999996 110.539 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -82.51 -171.02 1.05 Allowed 'Trans proline' 0 C--N 1.305 -1.715 0 O-C-N 124.043 1.549 . . . . 1.02 109.769 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.2 t -90.03 44.16 1.19 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.046 -1.034 . . . . 2.04 109.994 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -138.72 17.26 3.26 Favored Glycine 0 C--N 1.294 -1.798 0 N-CA-C 107.264 -2.335 . . . . 1.1399999999999999 107.264 178.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.4 t -87.05 56.87 4.2 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.767 -0.843 . . . . 0.73999999999999999 110.595 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -99.75 -6.41 27.09 Favored 'General case' 0 C--N 1.298 -1.674 0 O-C-N 121.536 -0.728 . . . . 2.5800000000000001 110.195 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 67.3 m -103.84 159.36 15.71 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.291 -0.881 . . . . 2.0600000000000001 110.155 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -93.77 6.44 48.35 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.252 -0.905 . . . . 2.2200000000000002 110.289 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.12 39.9 3.08 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-O 122.331 1.062 . . . . 3.3300000000000001 109.604 179.284 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.421 ' O ' ' HD3' ' A' ' 37' ' ' PRO . 0.5 OUTLIER -160.36 35.27 0.17 Allowed 'General case' 0 C--N 1.29 -1.994 0 N-CA-C 107.313 -1.366 . . . . 3.9500000000000002 107.313 178.689 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.498 ' SG ' ' HB2' ' A' ' 38' ' ' CYS . 53.4 t -108.36 98.03 25.48 Favored Pre-proline 0 C--N 1.293 -1.882 0 CA-C-N 114.734 -1.121 . . . . 0.65000000000000002 111.266 -178.407 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.421 ' HD3' ' O ' ' A' ' 35' ' ' LYS . 51.0 Cg_endo -83.47 50.11 3.14 Favored 'Trans proline' 0 C--N 1.308 -1.561 0 O-C-N 124.046 1.55 . . . . 1.0 109.641 178.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.498 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 1.6 t -81.15 -162.8 0.53 Allowed 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.394 -0.816 . . . . 1.52 110.63 -179.103 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -62.16 -25.73 66.75 Favored Glycine 0 N--CA 1.489 2.185 0 N-CA-C 109.432 -1.467 . . . . 2.1200000000000001 109.432 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 . . . . . 0 N--CA 1.492 1.654 0 O-C-N 121.284 -1.127 . . . . 5.0499999999999998 110.209 179.939 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.365 0.603 . . . . 7.1600000000000001 110.171 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 14.5 p30 -106.07 21.49 17.26 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.321 -0.862 . . . . 4.3700000000000001 110.275 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -146.56 143.92 29.21 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.209 -0.932 . . . . 5.2800000000000002 110.302 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.554 ' HA3' ' HA ' ' A' ' 23' ' ' SER . . . -139.13 -135.84 3.33 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.296 -1.522 . . . . 1.0800000000000001 109.296 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.777 ' CE1' ' O ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -159.38 -86.73 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.089 -1.242 . . . . 1.1299999999999999 109.629 179.748 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.478 ' H ' ' CD2' ' A' ' 5' ' ' HIS . 0.8 OUTLIER -160.46 98.12 1.25 Allowed 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.56 -0.712 . . . . 2.3399999999999999 110.07 179.841 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.62 ' HB2' ' HB3' ' A' ' 24' ' ' CYS . 0.6 OUTLIER -84.37 84.57 7.59 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.037 -1.039 . . . . 0.60999999999999999 109.657 179.783 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -83.79 15.94 3.01 Favored 'General case' 0 C--N 1.294 -1.845 0 N-CA-C 105.041 -2.207 . . . . 3.02 105.041 174.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.548 ' CB ' ' SG ' ' A' ' 14' ' ' CYS . 84.4 m -51.4 132.31 29.34 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-O 122.533 1.159 . . . . 0.48999999999999999 112.406 -178.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.471 ' O ' ' O ' ' A' ' 11' ' ' CYS . 80.2 mt-30 -115.2 16.18 16.94 Favored 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 106.936 -1.505 . . . . 2.25 106.936 177.476 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.477 ' HB2' ' HB2' ' A' ' 14' ' ' CYS . 40.6 m -54.37 -158.17 0.0 OUTLIER 'General case' 0 C--N 1.311 -1.085 0 CA-C-O 121.587 0.708 . . . . 0.46000000000000002 110.652 -179.603 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -98.39 -24.74 10.84 Favored Glycine 0 N--CA 1.488 2.158 0 N-CA-C 108.705 -1.758 . . . . 0.53000000000000003 108.705 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.97 -0.42 30.97 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.464 -1.021 . . . . 1.21 109.976 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.548 ' SG ' ' CB ' ' A' ' 9' ' ' CYS . 1.8 m -104.12 -34.86 8.26 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 122.651 1.215 . . . . 0.35999999999999999 109.248 179.483 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -74.02 -23.21 59.39 Favored 'General case' 0 C--N 1.282 -2.329 0 CA-C-N 114.726 -1.124 . . . . 3.1600000000000001 109.779 179.516 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -95.0 -54.23 3.52 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.375 -0.828 . . . . 2.0299999999999998 109.994 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -89.76 91.83 8.8 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.276 -0.89 . . . . 1.51 110.116 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.484 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 15.8 mt-10 -86.18 8.8 19.62 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.251 -0.906 . . . . 2.4700000000000002 109.88 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -74.62 -2.35 25.7 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.374 -0.829 . . . . 2.6400000000000001 109.853 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 29.6 p -120.29 16.43 12.26 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.626 -0.671 . . . . 0.57999999999999996 109.759 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.611 ' HA ' ' HB3' ' A' ' 7' ' ' CYS . 14.9 mm100 -75.49 1.43 14.15 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.301 -0.875 . . . . 2.6600000000000001 110.47 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 67.7 mttt -128.21 6.07 5.87 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.423 -0.798 . . . . 3.4100000000000001 109.799 179.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.554 ' HA ' ' HA3' ' A' ' 4' ' ' GLY . 51.0 m -160.32 40.51 0.18 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.45 -0.781 . . . . 1.52 110.25 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.777 ' O ' ' CE1' ' A' ' 5' ' ' HIS . 0.5 OUTLIER -79.39 127.7 32.42 Favored 'General case' 0 C--N 1.307 -1.248 0 N-CA-C 107.801 -1.185 . . . . 0.93999999999999995 107.801 -179.156 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.6 m -84.84 59.14 5.39 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.115 -0.99 . . . . 1.8400000000000001 111.883 -177.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 60.5 m -121.08 150.31 53.21 Favored Pre-proline 0 C--N 1.302 -1.459 0 O-C-N 121.093 -1.004 . . . . 0.95999999999999996 110.539 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -82.51 -171.02 1.05 Allowed 'Trans proline' 0 C--N 1.305 -1.715 0 O-C-N 124.043 1.549 . . . . 0.91000000000000003 109.769 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.44 ' H ' HG22 ' A' ' 28' ' ' THR . 5.2 t -90.03 44.16 1.19 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.046 -1.034 . . . . 1.5900000000000001 109.994 179.638 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -138.72 17.26 3.26 Favored Glycine 0 C--N 1.294 -1.798 0 N-CA-C 107.264 -2.335 . . . . 0.98999999999999999 107.264 178.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.4 t -87.05 56.87 4.2 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.767 -0.843 . . . . 0.73999999999999999 110.595 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -99.75 -6.41 27.09 Favored 'General case' 0 C--N 1.298 -1.674 0 O-C-N 121.536 -0.728 . . . . 2.1499999999999999 110.195 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 67.3 m -103.84 159.36 15.71 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.291 -0.881 . . . . 1.78 110.155 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -93.77 6.44 48.35 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.252 -0.905 . . . . 2.2200000000000002 110.289 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.12 39.9 3.08 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-O 122.331 1.062 . . . . 3.3300000000000001 109.604 179.284 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.444 ' O ' ' HD3' ' A' ' 37' ' ' PRO . 0.5 OUTLIER -160.36 35.27 0.17 Allowed 'General case' 0 C--N 1.29 -1.994 0 N-CA-C 107.313 -1.366 . . . . 3.4100000000000001 107.313 178.689 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.52 ' SG ' ' HB2' ' A' ' 38' ' ' CYS . 53.4 t -108.36 98.03 25.48 Favored Pre-proline 0 C--N 1.293 -1.882 0 CA-C-N 114.734 -1.121 . . . . 0.64000000000000001 111.266 -178.407 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.444 ' HD3' ' O ' ' A' ' 35' ' ' LYS . 51.0 Cg_endo -83.47 50.11 3.14 Favored 'Trans proline' 0 C--N 1.308 -1.561 0 O-C-N 124.046 1.55 . . . . 0.92000000000000004 109.641 178.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.535 ' SG ' ' HB2' ' A' ' 24' ' ' CYS . 1.6 t -81.15 -162.8 0.53 Allowed 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.394 -0.816 . . . . 1.52 110.63 -179.103 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -62.16 -25.73 66.75 Favored Glycine 0 N--CA 1.489 2.185 0 N-CA-C 109.432 -1.467 . . . . 1.52 109.432 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 . . . . . 0 N--CA 1.492 1.654 0 O-C-N 121.284 -1.127 . . . . 4.5 110.209 179.939 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 41' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 43' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 44' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 45' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 46' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 47' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.365 0.603 . . . . 7.1600000000000001 110.171 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -106.07 21.49 17.26 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.321 -0.862 . . . . 4.3700000000000001 110.275 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -146.56 143.92 29.21 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.209 -0.932 . . . . 5.2800000000000002 110.302 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.554 ' HA3' ' HA ' ' A' ' 23' ' ' SER . . . -139.13 -135.84 3.33 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.296 -1.522 . . . . 1.0800000000000001 109.296 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.577 ' NE2' ' O ' ' A' ' 24' ' ' CYS . 0.2 OUTLIER -159.38 -86.73 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.089 -1.242 . . . . 1.1299999999999999 109.629 179.748 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -160.46 98.12 1.25 Allowed 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.56 -0.712 . . . . 2.3399999999999999 110.07 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.62 ' HB2' ' HB3' ' A' ' 24' ' ' CYS . 0.6 OUTLIER -84.37 84.57 7.59 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.037 -1.039 . . . . 0.60999999999999999 109.657 179.783 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.49 ' NE2' ' HA ' ' A' ' 8' ' ' GLN . 0.6 OUTLIER -83.79 15.94 3.01 Favored 'General case' 0 C--N 1.294 -1.845 0 N-CA-C 105.041 -2.207 . . . . 3.02 105.041 174.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.548 ' CB ' ' SG ' ' A' ' 14' ' ' CYS . 84.4 m -51.4 132.31 29.34 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-O 122.533 1.159 . . . . 0.48999999999999999 112.406 -178.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.471 ' O ' ' O ' ' A' ' 11' ' ' CYS . 80.2 mt-30 -115.2 16.18 16.94 Favored 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 106.936 -1.505 . . . . 2.25 106.936 177.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.477 ' HB2' ' HB2' ' A' ' 14' ' ' CYS . 40.6 m -54.37 -158.17 0.0 OUTLIER 'General case' 0 C--N 1.311 -1.085 0 CA-C-O 121.587 0.708 . . . . 0.46000000000000002 110.652 -179.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -98.39 -24.74 10.84 Favored Glycine 0 N--CA 1.488 2.158 0 N-CA-C 108.705 -1.758 . . . . 0.53000000000000003 108.705 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.97 -0.42 30.97 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.464 -1.021 . . . . 1.21 109.976 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.548 ' SG ' ' CB ' ' A' ' 9' ' ' CYS . 1.8 m -104.12 -34.86 8.26 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 122.651 1.215 . . . . 0.35999999999999999 109.248 179.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -74.02 -23.21 59.39 Favored 'General case' 0 C--N 1.282 -2.329 0 CA-C-N 114.726 -1.124 . . . . 3.1600000000000001 109.779 179.516 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -95.0 -54.23 3.52 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.375 -0.828 . . . . 2.0299999999999998 109.994 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -89.76 91.83 8.8 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.276 -0.89 . . . . 1.51 110.116 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.484 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 15.8 mt-10 -86.18 8.8 19.62 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.251 -0.906 . . . . 2.4700000000000002 109.88 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -74.62 -2.35 25.7 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.374 -0.829 . . . . 2.6400000000000001 109.853 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 29.6 p -120.29 16.43 12.26 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.626 -0.671 . . . . 0.57999999999999996 109.759 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.611 ' HA ' ' HB3' ' A' ' 7' ' ' CYS . 75.7 mm-40 -75.49 1.43 14.15 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.301 -0.875 . . . . 2.6600000000000001 110.47 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 67.7 mttt -128.21 6.07 5.87 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.423 -0.798 . . . . 3.4100000000000001 109.799 179.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.554 ' HA ' ' HA3' ' A' ' 4' ' ' GLY . 51.0 m -160.32 40.51 0.18 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.45 -0.781 . . . . 1.52 110.25 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.62 ' HB3' ' HB2' ' A' ' 7' ' ' CYS . 0.5 OUTLIER -79.39 127.7 32.42 Favored 'General case' 0 C--N 1.307 -1.248 0 N-CA-C 107.801 -1.185 . . . . 0.93999999999999995 107.801 -179.156 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.6 m -84.84 59.14 5.39 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.115 -0.99 . . . . 1.8400000000000001 111.883 -177.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 60.5 m -121.08 150.31 53.21 Favored Pre-proline 0 C--N 1.302 -1.459 0 O-C-N 121.093 -1.004 . . . . 0.95999999999999996 110.539 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -82.51 -171.02 1.05 Allowed 'Trans proline' 0 C--N 1.305 -1.715 0 O-C-N 124.043 1.549 . . . . 0.91000000000000003 109.769 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.44 ' H ' HG22 ' A' ' 28' ' ' THR . 5.2 t -90.03 44.16 1.19 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.046 -1.034 . . . . 1.5900000000000001 109.994 179.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -138.72 17.26 3.26 Favored Glycine 0 C--N 1.294 -1.798 0 N-CA-C 107.264 -2.335 . . . . 0.98999999999999999 107.264 178.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.4 t -87.05 56.87 4.2 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.767 -0.843 . . . . 0.73999999999999999 110.595 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -99.75 -6.41 27.09 Favored 'General case' 0 C--N 1.298 -1.674 0 O-C-N 121.536 -0.728 . . . . 2.1499999999999999 110.195 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 67.3 m -103.84 159.36 15.71 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.291 -0.881 . . . . 1.78 110.155 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -93.77 6.44 48.35 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.252 -0.905 . . . . 2.2200000000000002 110.289 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.12 39.9 3.08 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-O 122.331 1.062 . . . . 3.3300000000000001 109.604 179.284 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.444 ' O ' ' HD3' ' A' ' 37' ' ' PRO . 0.5 OUTLIER -160.36 35.27 0.17 Allowed 'General case' 0 C--N 1.29 -1.994 0 N-CA-C 107.313 -1.366 . . . . 3.4100000000000001 107.313 178.689 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.52 ' SG ' ' HB2' ' A' ' 38' ' ' CYS . 53.4 t -108.36 98.03 25.48 Favored Pre-proline 0 C--N 1.293 -1.882 0 CA-C-N 114.734 -1.121 . . . . 0.64000000000000001 111.266 -178.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.444 ' HD3' ' O ' ' A' ' 35' ' ' LYS . 51.0 Cg_endo -83.47 50.11 3.14 Favored 'Trans proline' 0 C--N 1.308 -1.561 0 O-C-N 124.046 1.55 . . . . 0.92000000000000004 109.641 178.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.535 ' SG ' ' HB2' ' A' ' 24' ' ' CYS . 1.6 t -81.15 -162.8 0.53 Allowed 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.394 -0.816 . . . . 1.52 110.63 -179.103 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -62.16 -25.73 66.75 Favored Glycine 0 N--CA 1.489 2.185 0 N-CA-C 109.432 -1.467 . . . . 1.52 109.432 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 . . . . . 0 N--CA 1.492 1.654 0 O-C-N 121.284 -1.127 . . . . 4.5 110.209 179.939 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_