data_2brz_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 2brz _Structure_validation_residue.Date_analyzed 2016-10-07 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' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.56 0 CA-C-O 120.813 0.34 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -149.66 -172.19 4.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.084 0.469 . . . . 0.0 111.289 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.5 tttp -57.95 128.43 37.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.374 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.6 -3.44 0.81 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.997 179.458 -120.906 156.216 45.578 104.229 2.03 104.117 73.844 -70.522 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -101.95 136.39 41.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.994 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.77 128.39 11.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.037 0.446 . . . . 0.0 111.554 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -65.46 136.2 27.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.11 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.602 ' C ' ' H ' ' A' ' 10' ' ' ASN . 1.0 OUTLIER -67.1 99.23 0.65 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.032 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.594 ' O ' ' ND2' ' A' ' 10' ' ' ASN . 5.4 mt-10 -62.79 39.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.366 -179.139 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.602 ' H ' ' C ' ' A' ' 8' ' ' TYR . 0.6 OUTLIER 172.19 104.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.166 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.413 ' HH ' ' HG3' ' A' ' 21' ' ' GLN . 47.6 t80 -179.28 138.85 0.33 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.289 -179.633 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -77.32 108.19 2.55 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.263 1.976 . . . . 0.0 112.308 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.7 p -54.89 98.54 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.293 0.568 . . . . 0.0 110.816 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.518 ' O ' ' C ' ' A' ' 15' ' ' LYS . 20.8 p -176.51 -161.71 0.08 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.61 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.518 ' C ' ' O ' ' A' ' 14' ' ' SER . 53.4 mttm 20.07 89.25 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.76 0.662 . . . . 0.0 111.134 179.406 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -168.73 92.93 0.31 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.061 0.458 . . . . 0.0 111.107 -179.001 -110.114 -90.189 -73.961 103.58 2.029 103.912 -127.268 -26.007 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -149.83 17.32 0.88 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.218 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.603 ' O ' ' N ' ' A' ' 20' ' ' ASN . 10.5 mt -164.55 135.01 4.06 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.075 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.56 71.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.828 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.603 ' N ' ' O ' ' A' ' 18' ' ' LEU . 3.7 t-20 -148.79 -72.6 0.19 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.446 -179.559 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.439 ' O ' ' CG ' ' A' ' 25' ' ' ASP . 9.9 tp60 -39.37 -75.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.773 0.321 . . . . 0.0 110.383 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.04 -44.16 94.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.597 179.461 -96.179 -52.856 -127.989 103.055 2.029 105.692 34.789 -122.134 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -54.61 -76.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.112 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.498 ' CD1' ' C ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -46.84 -39.79 12.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.301 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.51 ' O ' ' N ' ' A' ' 29' ' ' ASP . 81.3 m-20 -53.99 -63.75 1.05 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.792 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.534 ' C ' ' H ' ' A' ' 28' ' ' LEU . 87.5 m -53.58 -40.69 65.84 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.515 -67.056 -83.016 -65.553 104.075 2.031 104.194 -41.909 -60.837 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -60.38 7.24 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.091 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.534 ' H ' ' C ' ' A' ' 26' ' ' CYS . 0.1 OUTLIER -163.88 -38.76 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.238 -0.585 . . . . 0.0 112.28 -179.514 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.51 ' N ' ' O ' ' A' ' 25' ' ' ASP . 4.4 m-20 -66.21 -20.21 66.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.841 0.353 . . . . 0.0 110.69 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.1 mmmt -140.96 36.42 1.76 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.929 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 38.09 36.93 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.089 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.47 176.76 7.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.175 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.04 -32.54 11.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.144 0.497 . . . . 0.0 110.227 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.2 p -173.24 161.42 4.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.055 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -154.39 -179.1 29.41 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.403 -0.903 . . . . 0.0 112.441 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.558 ' CD ' ' H ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -174.6 159.36 2.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.274 0.559 . . . . 0.0 111.549 -179.753 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.558 ' H ' ' CD ' ' A' ' 36' ' ' GLU . 0.6 OUTLIER -87.07 97.7 10.88 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.195 -179.871 -26.007 -127.268 -73.961 103.912 2.029 103.58 -90.189 -110.114 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -96.1 138.01 34.33 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.929 0.395 . . . . 0.0 111.972 -178.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -83.99 -163.72 0.82 Allowed 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.389 179.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.616 ' O ' ' N ' ' A' ' 42' ' ' LYS . 11.4 p-10 -166.66 72.98 0.14 Allowed 'General case' 0 CA--C 1.512 -0.499 0 CA-C-O 121.13 0.491 . . . . 0.0 111.15 179.482 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.469 ' C ' ' O ' ' A' ' 40' ' ' ASP . 0.5 OUTLIER 25.3 36.28 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.855 -1.066 . . . . 0.0 112.104 179.635 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.616 ' N ' ' O ' ' A' ' 40' ' ' ASP . 30.0 mtpt -144.44 -15.58 0.57 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.632 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.53 ' CB ' ' O ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER 89.12 42.1 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.81 0.338 . . . . 0.0 110.992 -179.849 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -139.57 114.26 9.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.106 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.411 ' N ' HD21 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -86.16 152.98 22.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.172 0.511 . . . . 0.0 111.339 -179.163 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -143.69 141.86 30.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.2 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.48 89.69 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.555 -179.917 -122.134 34.789 -127.989 105.692 2.029 103.055 -52.856 -96.179 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 15.1 mt -87.12 117.46 31.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 178.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 77.8 m -97.99 114.59 26.77 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.657 -179.185 -60.837 -41.909 -65.553 104.194 2.031 104.075 -83.016 -67.056 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -97.69 132.13 43.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.562 179.113 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -101.91 -30.83 11.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.218 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 86.7 m -96.48 -51.42 4.35 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.835 0.35 . . . . 0.0 110.496 179.794 -70.522 73.844 45.578 104.117 2.03 104.229 156.216 -120.906 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 60.74 104.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.057 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.414 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.56 0 CA-C-O 120.813 0.34 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -149.66 -172.19 4.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.084 0.469 . . . . 0.0 111.289 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.5 tttp -57.95 128.43 37.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.374 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.6 -3.44 0.81 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.997 179.458 -120.906 156.216 45.578 104.229 2.03 104.117 73.844 -70.522 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -101.95 136.39 41.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.994 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.77 128.39 11.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.037 0.446 . . . . 0.0 111.554 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -65.46 136.2 27.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.11 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.575 ' C ' ' H ' ' A' ' 10' ' ' ASN . 1.0 OUTLIER -67.1 99.23 0.65 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.032 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.594 ' O ' ' ND2' ' A' ' 10' ' ' ASN . 5.4 mt-10 -62.79 39.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.366 -179.139 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.594 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 0.6 OUTLIER 172.19 104.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.166 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -179.28 138.85 0.33 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.289 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -77.32 108.19 2.55 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.263 1.976 . . . . 0.0 112.308 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.434 HG13 ' O ' ' A' ' 13' ' ' VAL . 2.7 p -54.89 98.54 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.293 0.568 . . . . 0.0 110.816 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.518 ' O ' ' C ' ' A' ' 15' ' ' LYS . 20.8 p -176.51 -161.71 0.08 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.61 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.518 ' C ' ' O ' ' A' ' 14' ' ' SER . 53.4 mttm 20.07 89.25 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.76 0.662 . . . . 0.0 111.134 179.406 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -168.73 92.93 0.31 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.061 0.458 . . . . 0.0 111.107 -179.001 -110.114 -90.189 -73.961 103.58 2.029 103.912 -127.268 -26.007 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -149.83 17.32 0.88 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.218 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.603 ' O ' ' N ' ' A' ' 20' ' ' ASN . 10.5 mt -164.55 135.01 4.06 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.075 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.56 71.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.828 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.603 ' N ' ' O ' ' A' ' 18' ' ' LEU . 58.9 t30 -148.79 -72.6 0.19 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.446 -179.559 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.439 ' O ' ' CG ' ' A' ' 25' ' ' ASP . 9.9 tp60 -39.37 -75.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.773 0.321 . . . . 0.0 110.383 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.04 -44.16 94.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.597 179.461 -96.179 -52.856 -127.989 103.055 2.029 105.692 34.789 -122.134 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -54.61 -76.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.112 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.498 ' C ' ' CD1' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -46.84 -39.79 12.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.301 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.439 ' CG ' ' O ' ' A' ' 21' ' ' GLN . 81.3 m-20 -53.99 -63.75 1.05 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.792 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.547 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 87.5 m -53.58 -40.69 65.84 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.515 -67.056 -83.016 -65.553 104.075 2.031 104.194 -41.909 -60.837 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -60.38 7.24 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.091 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.503 ' H ' ' C ' ' A' ' 26' ' ' CYS . 0.1 OUTLIER -163.88 -38.76 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.238 -0.585 . . . . 0.0 112.28 -179.514 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 25' ' ' ASP . 4.4 m-20 -66.21 -20.21 66.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.841 0.353 . . . . 0.0 110.69 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.1 mmmt -140.96 36.42 1.76 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.929 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 38.09 36.93 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.089 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 26' ' ' CYS . . . -86.47 176.76 7.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.175 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.04 -32.54 11.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.144 0.497 . . . . 0.0 110.227 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.2 p -173.24 161.42 4.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.055 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -154.39 -179.1 29.41 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.403 -0.903 . . . . 0.0 112.441 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.549 ' CD ' ' H ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -174.6 159.36 2.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.274 0.559 . . . . 0.0 111.549 -179.753 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.549 ' H ' ' CD ' ' A' ' 36' ' ' GLU . 0.6 OUTLIER -87.07 97.7 10.88 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.195 -179.871 -26.007 -127.268 -73.961 103.912 2.029 103.58 -90.189 -110.114 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.459 ' HB2' HD12 ' A' ' 48' ' ' ILE . 18.4 m-85 -96.1 138.01 34.33 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.929 0.395 . . . . 0.0 111.972 -178.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.544 ' CZ ' HD22 ' A' ' 45' ' ' LEU . 64.0 m-85 -83.99 -163.72 0.82 Allowed 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.389 179.103 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.616 ' O ' ' N ' ' A' ' 42' ' ' LYS . 11.4 p-10 -166.66 72.98 0.14 Allowed 'General case' 0 CA--C 1.512 -0.499 0 CA-C-O 121.13 0.491 . . . . 0.0 111.15 179.482 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.469 ' C ' ' O ' ' A' ' 40' ' ' ASP . 0.5 OUTLIER 25.3 36.28 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.855 -1.066 . . . . 0.0 112.104 179.635 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.616 ' N ' ' O ' ' A' ' 40' ' ' ASP . 30.0 mtpt -144.44 -15.58 0.57 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.632 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.53 ' CB ' ' O ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER 89.12 42.1 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.81 0.338 . . . . 0.0 110.992 -179.849 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -139.57 114.26 9.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.106 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.544 HD22 ' CZ ' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -86.16 152.98 22.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.172 0.511 . . . . 0.0 111.339 -179.163 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -143.69 141.86 30.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.2 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.48 89.69 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.555 -179.917 -122.134 34.789 -127.989 105.692 2.029 103.055 -52.856 -96.179 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.459 HD12 ' HB2' ' A' ' 38' ' ' PHE . 15.1 mt -87.12 117.46 31.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 178.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 77.8 m -97.99 114.59 26.77 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.657 -179.185 -60.837 -41.909 -65.553 104.194 2.031 104.075 -83.016 -67.056 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -97.69 132.13 43.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.562 179.113 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -101.91 -30.83 11.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.218 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 86.7 m -96.48 -51.42 4.35 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.835 0.35 . . . . 0.0 110.496 179.794 -70.522 73.844 45.578 104.117 2.03 104.229 156.216 -120.906 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 60.74 104.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.057 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.414 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.56 0 CA-C-O 120.813 0.34 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -149.66 -172.19 4.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.084 0.469 . . . . 0.0 111.289 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.5 tttp -57.95 128.43 37.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.374 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.6 -3.44 0.81 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.997 179.458 -120.906 156.216 45.578 104.229 2.03 104.117 73.844 -70.522 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -101.95 136.39 41.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.994 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.77 128.39 11.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.037 0.446 . . . . 0.0 111.554 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -65.46 136.2 27.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.11 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.575 ' C ' ' H ' ' A' ' 10' ' ' ASN . 1.0 OUTLIER -67.1 99.23 0.65 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.032 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.594 ' O ' ' ND2' ' A' ' 10' ' ' ASN . 5.4 mt-10 -62.79 39.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.366 -179.139 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.594 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 0.6 OUTLIER 172.19 104.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.166 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -179.28 138.85 0.33 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.289 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -77.32 108.19 2.55 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.263 1.976 . . . . 0.0 112.308 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.434 ' O ' HG13 ' A' ' 13' ' ' VAL . 2.7 p -54.89 98.54 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.293 0.568 . . . . 0.0 110.816 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.518 ' O ' ' C ' ' A' ' 15' ' ' LYS . 20.8 p -176.51 -161.71 0.08 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.61 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.518 ' C ' ' O ' ' A' ' 14' ' ' SER . 53.4 mttm 20.07 89.25 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.76 0.662 . . . . 0.0 111.134 179.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -168.73 92.93 0.31 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.061 0.458 . . . . 0.0 111.107 -179.001 -110.114 -90.189 -73.961 103.58 2.029 103.912 -127.268 -26.007 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -149.83 17.32 0.88 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.218 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.603 ' O ' ' N ' ' A' ' 20' ' ' ASN . 10.5 mt -164.55 135.01 4.06 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.075 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.56 71.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.828 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.603 ' N ' ' O ' ' A' ' 18' ' ' LEU . 3.7 t-20 -148.79 -72.6 0.19 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.446 -179.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.439 ' O ' ' CG ' ' A' ' 25' ' ' ASP . 9.9 tp60 -39.37 -75.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.773 0.321 . . . . 0.0 110.383 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.04 -44.16 94.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.597 179.461 -96.179 -52.856 -127.989 103.055 2.029 105.692 34.789 -122.134 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -54.61 -76.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.112 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.498 ' C ' ' CD1' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -46.84 -39.79 12.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.301 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.439 ' CG ' ' O ' ' A' ' 21' ' ' GLN . 81.3 m-20 -53.99 -63.75 1.05 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.792 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.547 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 87.5 m -53.58 -40.69 65.84 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.515 -67.056 -83.016 -65.553 104.075 2.031 104.194 -41.909 -60.837 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -60.38 7.24 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.091 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.503 ' H ' ' C ' ' A' ' 26' ' ' CYS . 0.1 OUTLIER -163.88 -38.76 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.238 -0.585 . . . . 0.0 112.28 -179.514 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 25' ' ' ASP . 4.4 m-20 -66.21 -20.21 66.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.841 0.353 . . . . 0.0 110.69 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.1 mmmt -140.96 36.42 1.76 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.929 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 38.09 36.93 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.089 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 26' ' ' CYS . . . -86.47 176.76 7.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.175 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.04 -32.54 11.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.144 0.497 . . . . 0.0 110.227 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.2 p -173.24 161.42 4.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.055 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -154.39 -179.1 29.41 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.403 -0.903 . . . . 0.0 112.441 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.549 ' CD ' ' H ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -174.6 159.36 2.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.274 0.559 . . . . 0.0 111.549 -179.753 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.549 ' H ' ' CD ' ' A' ' 36' ' ' GLU . 0.6 OUTLIER -87.07 97.7 10.88 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.195 -179.871 -26.007 -127.268 -73.961 103.912 2.029 103.58 -90.189 -110.114 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.459 ' HB2' HD12 ' A' ' 48' ' ' ILE . 18.4 m-85 -96.1 138.01 34.33 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.929 0.395 . . . . 0.0 111.972 -178.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.544 ' CZ ' HD22 ' A' ' 45' ' ' LEU . 64.0 m-85 -83.99 -163.72 0.82 Allowed 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.389 179.103 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.616 ' O ' ' N ' ' A' ' 42' ' ' LYS . 11.4 p-10 -166.66 72.98 0.14 Allowed 'General case' 0 CA--C 1.512 -0.499 0 CA-C-O 121.13 0.491 . . . . 0.0 111.15 179.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.469 ' C ' ' O ' ' A' ' 40' ' ' ASP . 0.5 OUTLIER 25.3 36.28 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.855 -1.066 . . . . 0.0 112.104 179.635 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.616 ' N ' ' O ' ' A' ' 40' ' ' ASP . 30.0 mtpt -144.44 -15.58 0.57 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.632 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.53 ' CB ' ' O ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER 89.12 42.1 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.81 0.338 . . . . 0.0 110.992 -179.849 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -139.57 114.26 9.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.106 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.544 HD22 ' CZ ' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -86.16 152.98 22.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.172 0.511 . . . . 0.0 111.339 -179.163 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -143.69 141.86 30.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.2 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.48 89.69 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.555 -179.917 -122.134 34.789 -127.989 105.692 2.029 103.055 -52.856 -96.179 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.459 HD12 ' HB2' ' A' ' 38' ' ' PHE . 15.1 mt -87.12 117.46 31.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 178.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 77.8 m -97.99 114.59 26.77 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.657 -179.185 -60.837 -41.909 -65.553 104.194 2.031 104.075 -83.016 -67.056 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -97.69 132.13 43.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.562 179.113 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -101.91 -30.83 11.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.218 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 86.7 m -96.48 -51.42 4.35 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.835 0.35 . . . . 0.0 110.496 179.794 -70.522 73.844 45.578 104.117 2.03 104.229 156.216 -120.906 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 60.74 104.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.057 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.414 179.72 . . . . . . . . 1 1 . 1 stop_ save_