data_1srl_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 1srl _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 ' 9' ' ' THR . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.436 -0.579 . . . . 2.5499999999999998 109.436 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -105.64 -168.98 1.52 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.276 -0.89 . . . . 1.1799999999999999 109.409 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.476 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 13.3 t -143.08 143.82 24.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.242 -0.911 . . . . 1.54 109.289 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.585 ' HB3' ' CE2' ' A' ' 26' ' ' PHE . . . -85.03 88.91 7.5 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.204 -0.935 . . . . 1.24 109.758 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 60' ' ' TYR . 10.9 mt -41.67 -52.9 3.74 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.252 -0.905 . . . . 1.53 110.363 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.512 ' HB2' ' CD2' ' A' ' 60' ' ' TYR . 78.0 m-85 -123.08 -170.39 2.1 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.139 -0.976 . . . . 1.47 110.482 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.487 ' O ' ' C ' ' A' ' 16' ' ' TYR . 1.5 p30 -110.11 64.52 0.61 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.515 -0.741 . . . . 2.3199999999999998 109.853 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.587 ' CZ ' ' CB ' ' A' ' 18' ' ' SER . 5.4 t80 -31.2 112.51 0.09 Allowed 'General case' 0 N--CA 1.498 1.957 0 CA-C-O 121.318 0.58 . . . . 1.8100000000000001 110.199 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.461 ' O ' ' O ' ' A' ' 18' ' ' SER . 41.5 tt0 -92.03 64.08 4.55 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.259 -0.9 . . . . 3.0299999999999998 109.792 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.587 ' CB ' ' CZ ' ' A' ' 16' ' ' TYR . 1.0 OUTLIER -43.64 167.75 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.282 -0.886 . . . . 2.7000000000000002 109.48 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.3 mtp85 -123.49 -26.87 4.15 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.169 -0.957 . . . . 5.6799999999999997 109.673 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.26 158.16 16.25 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.205 -0.934 . . . . 2.7400000000000002 109.501 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -69.4 -25.3 64.07 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.229 -0.92 . . . . 3.7000000000000002 109.55 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -45.3 -53.34 8.57 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.274 -0.891 . . . . 2.6600000000000001 109.526 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -104.94 134.84 47.37 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.279 -0.888 . . . . 1.8100000000000001 109.562 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.501 ' CD1' ' C ' ' A' ' 53' ' ' THR . 8.7 mt -88.39 138.65 31.25 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.248 -0.908 . . . . 2.3599999999999999 108.727 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.484 ' OG ' ' N ' ' A' ' 18' ' ' SER . 49.5 m -85.3 114.08 22.12 Favored 'General case' 0 C--N 1.296 -1.749 0 O-C-N 121.356 -0.84 . . . . 1.77 109.644 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.585 ' CE2' ' HB3' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -93.69 -160.45 0.77 Allowed 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 119.297 -0.961 . . . . 2.4199999999999999 109.791 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.527 ' O ' ' CB ' ' A' ' 12' ' ' ALA . 1.3 tttt -145.94 175.28 10.56 Favored 'General case' 0 C--N 1.295 -1.781 0 C-N-CA 119.916 -0.714 . . . . 3.98 110.049 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.496 ' HA ' ' O ' ' A' ' 12' ' ' ALA . 0.3 OUTLIER -89.32 140.91 29.02 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.456 -0.777 . . . . 2.8300000000000001 109.263 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.413 ' N ' ' HG2' ' A' ' 28' ' ' LYS . . . 99.6 -17.08 58.09 Favored Glycine 0 N--CA 1.49 2.239 0 N-CA-C 109.099 -1.6 . . . . 1.48 109.099 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -85.48 149.33 25.47 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.417 -1.049 . . . . 3.8900000000000001 109.403 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.8 mtm180 -90.11 135.09 33.87 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.302 -0.874 . . . . 4.1200000000000001 109.546 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.412 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . 1.8 mp -135.34 144.46 46.68 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.257 -0.902 . . . . 1.71 109.349 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -102.27 102.81 13.23 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.215 -0.928 . . . . 2.1200000000000001 109.586 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 38.6 mm -47.0 155.99 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.252 -0.905 . . . . 1.24 109.43 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.52 ' CG2' ' O ' ' A' ' 44' ' ' LEU . 57.7 t -118.43 -64.08 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.207 -0.933 . . . . 1.26 109.884 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.479 ' O ' ' HB3' ' A' ' 43' ' ' TRP . 3.3 m-20 -139.75 -164.26 1.65 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.326 -0.858 . . . . 2.25 109.925 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.578 ' CB ' ' CD1' ' A' ' 43' ' ' TRP . 5.1 m120 61.25 94.75 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.336 -0.853 . . . . 4.71 109.941 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.3 t -90.33 -32.44 16.49 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.276 -0.89 . . . . 3.4199999999999999 109.325 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.544 ' O ' ' CZ2' ' A' ' 43' ' ' TRP . 9.3 mt-10 -60.72 -167.82 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.216 -0.927 . . . . 3.0600000000000001 109.205 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.435 ' O ' ' CG ' ' A' ' 41' ' ' ASP . . . -104.48 104.58 2.43 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.207 -1.557 . . . . 0.90000000000000002 109.207 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.473 ' C ' ' CD1' ' A' ' 42' ' ' TRP . 24.1 m-20 -159.54 -102.59 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.232 -1.158 . . . . 1.23 109.669 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.473 ' CD1' ' C ' ' A' ' 41' ' ' ASP . 59.5 m95 -142.54 83.41 1.82 Allowed 'General case' 0 N--CA 1.485 1.317 0 N-CA-C 107.953 -1.129 . . . . 0.5 107.953 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.605 ' N ' ' CD1' ' A' ' 43' ' ' TRP . 0.9 OUTLIER -79.47 152.53 30.2 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-O 121.495 0.664 . . . . 0.54000000000000004 109.744 -179.868 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.627 ' CD1' ' CD1' ' A' ' 55' ' ' TYR . 6.0 tp -96.99 125.73 41.63 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.46 -0.775 . . . . 1.6599999999999999 109.643 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.457 ' HB1' HG12 ' A' ' 56' ' ' ILE . . . -112.83 153.38 27.95 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.22 -0.925 . . . . 1.1799999999999999 109.088 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.574 ' CE1' ' HA2' ' A' ' 51' ' ' GLY . 1.0 OUTLIER -117.77 126.13 51.87 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.279 -0.888 . . . . 1.23 109.144 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.482 ' O ' ' NE2' ' A' ' 46' ' ' HIS . 14.7 m -72.47 142.07 48.58 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.292 -0.88 . . . . 1.1799999999999999 109.346 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.6 mt -90.03 -9.06 49.99 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.29 -0.881 . . . . 2.1200000000000001 109.535 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 23.5 m -72.41 -73.42 0.2 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.259 -0.901 . . . . 2.9500000000000002 109.48 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.9 m -89.51 -44.74 9.91 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.248 -0.908 . . . . 3.4100000000000001 109.296 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.574 ' HA2' ' CE1' ' A' ' 46' ' ' HIS . . . 111.34 34.53 2.1 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.543 -1.423 . . . . 1.6000000000000001 109.543 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -90.04 166.19 13.58 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.217 -1.167 . . . . 3.5600000000000001 109.469 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.586 ' CG2' ' CD2' ' A' ' 44' ' ' LEU . 2.8 m -117.42 118.76 33.08 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.273 -0.892 . . . . 1.53 109.195 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.443 ' HA2' ' HG ' ' A' ' 24' ' ' LEU . . . -134.68 140.36 11.67 Favored Glycine 0 N--CA 1.488 2.142 0 C-N-CA 119.591 -1.29 . . . . 1.1399999999999999 109.947 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.627 ' CD1' ' CD1' ' A' ' 44' ' ' LEU . 2.1 m-85 -80.77 104.88 11.59 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.404 -1.057 . . . . 2.96 109.809 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.579 HG23 ' CD2' ' A' ' 26' ' ' PHE . 1.2 pp -88.68 126.41 59.88 Favored Pre-proline 0 N--CA 1.491 1.597 0 O-C-N 121.244 -0.91 . . . . 1.6799999999999999 108.628 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.456 ' HG2' ' HB2' ' A' ' 16' ' ' TYR . 5.7 Cg_exo -58.7 138.88 88.21 Favored 'Trans proline' 0 C--N 1.311 -1.439 0 C-N-CA 121.643 1.562 . . . . 0.82999999999999996 110.515 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.52 ' HA ' ' CG1' ' A' ' 61' ' ' VAL . 1.1 p -62.81 -39.3 93.86 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.349 -0.845 . . . . 1.0700000000000001 109.131 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -69.26 -15.41 63.35 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.326 -0.859 . . . . 2.3500000000000001 109.026 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.512 ' CD2' ' HB2' ' A' ' 14' ' ' TYR . 3.6 m-30 -102.35 6.97 40.61 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.288 -0.882 . . . . 1.4199999999999999 109.555 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.533 HG13 ' CD1' ' A' ' 56' ' ' ILE . 4.2 p -134.58 167.23 26.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.396 -0.815 . . . . 1.3300000000000001 109.461 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.526 ' N ' ' CG2' ' A' ' 61' ' ' VAL . . . -163.46 136.92 4.39 Favored Pre-proline 0 N--CA 1.491 1.594 0 O-C-N 121.485 -0.759 . . . . 1.25 109.54 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.445 ' O ' ' O ' ' A' ' 64' ' ' SER . 2.2 Cg_endo -62.7 86.43 0.11 Allowed 'Trans proline' 0 C--N 1.312 -1.351 0 C-N-CA 122.063 1.842 . . . . 1.1499999999999999 110.155 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.445 ' O ' ' O ' ' A' ' 63' ' ' PRO . 1.0 OUTLIER . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 117.981 -1.009 . . . . 2.8599999999999999 109.38 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.436 -0.579 . . . . 1.99 109.436 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -105.64 -168.98 1.52 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.276 -0.89 . . . . 0.90000000000000002 109.409 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.48 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 13.3 t -143.08 143.82 24.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.242 -0.911 . . . . 1.03 109.289 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' A' ' 27' ' ' LYS . . . -85.03 88.91 7.5 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.204 -0.935 . . . . 0.70999999999999996 109.758 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.493 ' HB3' ' CD1' ' A' ' 14' ' ' TYR . 10.9 mt -41.67 -52.9 3.74 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.252 -0.905 . . . . 0.92000000000000004 110.363 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.531 ' HB2' ' CD2' ' A' ' 60' ' ' TYR . 78.0 m-85 -123.08 -170.39 2.1 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.139 -0.976 . . . . 1.1599999999999999 110.482 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.507 ' HA ' ' HA ' ' A' ' 27' ' ' LYS . 1.5 p30 -110.11 64.52 0.61 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.515 -0.741 . . . . 2.3199999999999998 109.853 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.587 ' CZ ' ' CB ' ' A' ' 18' ' ' SER . 5.4 t80 -31.2 112.51 0.09 Allowed 'General case' 0 N--CA 1.498 1.957 0 CA-C-O 121.318 0.58 . . . . 1.25 110.199 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.461 ' O ' ' O ' ' A' ' 18' ' ' SER . 41.5 tt0 -92.03 64.08 4.55 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.259 -0.9 . . . . 3.0299999999999998 109.792 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.587 ' CB ' ' CZ ' ' A' ' 16' ' ' TYR . 1.0 OUTLIER -43.64 167.75 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.282 -0.886 . . . . 2.4399999999999999 109.48 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.3 mtp85 -123.49 -26.87 4.15 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.169 -0.957 . . . . 5.0099999999999998 109.673 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.26 158.16 16.25 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.205 -0.934 . . . . 2.4700000000000002 109.501 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -69.4 -25.3 64.07 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.229 -0.92 . . . . 3.7000000000000002 109.55 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -45.3 -53.34 8.57 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.274 -0.891 . . . . 2.1800000000000002 109.526 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -104.94 134.84 47.37 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.279 -0.888 . . . . 1.8100000000000001 109.562 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.507 HD11 ' O ' ' A' ' 53' ' ' THR . 8.7 mt -88.39 138.65 31.25 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.248 -0.908 . . . . 1.79 108.727 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.484 ' OG ' ' N ' ' A' ' 18' ' ' SER . 49.5 m -85.3 114.08 22.12 Favored 'General case' 0 C--N 1.296 -1.749 0 O-C-N 121.356 -0.84 . . . . 1.77 109.644 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.477 ' CE1' ' HB3' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -93.69 -160.45 0.77 Allowed 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 119.297 -0.961 . . . . 1.54 109.791 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.631 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 1.3 tttt -145.94 175.28 10.56 Favored 'General case' 0 C--N 1.295 -1.781 0 C-N-CA 119.916 -0.714 . . . . 3.54 110.049 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.508 ' HA ' ' O ' ' A' ' 12' ' ' ALA . 0.3 OUTLIER -89.32 140.91 29.02 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.456 -0.777 . . . . 2.3700000000000001 109.263 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.401 ' N ' ' HG2' ' A' ' 28' ' ' LYS . . . 99.6 -17.08 58.09 Favored Glycine 0 N--CA 1.49 2.239 0 N-CA-C 109.099 -1.6 . . . . 1.3300000000000001 109.099 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -85.48 149.33 25.47 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.417 -1.049 . . . . 3.8900000000000001 109.403 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.8 mtm180 -90.11 135.09 33.87 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.302 -0.874 . . . . 3.54 109.546 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.506 HD22 HG21 ' A' ' 56' ' ' ILE . 1.8 mp -135.34 144.46 46.68 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.257 -0.902 . . . . 1.04 109.349 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -102.27 102.81 13.23 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.215 -0.928 . . . . 2.1200000000000001 109.586 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.428 HG22 ' N ' ' A' ' 35' ' ' VAL . 38.6 mm -47.0 155.99 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.252 -0.905 . . . . 0.67000000000000004 109.43 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 44' ' ' LEU . 57.7 t -118.43 -64.08 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.207 -0.933 . . . . 0.96999999999999997 109.884 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.48 ' O ' ' HB3' ' A' ' 43' ' ' TRP . 3.3 m-20 -139.75 -164.26 1.65 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.326 -0.858 . . . . 2.1200000000000001 109.925 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.578 ' CB ' ' CD1' ' A' ' 43' ' ' TRP . 5.1 m120 61.25 94.75 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.336 -0.853 . . . . 3.96 109.941 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.3 t -90.33 -32.44 16.49 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.276 -0.89 . . . . 3.1800000000000002 109.325 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.544 ' O ' ' CZ2' ' A' ' 43' ' ' TRP . 9.3 mt-10 -60.72 -167.82 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.216 -0.927 . . . . 3.0600000000000001 109.205 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.435 ' O ' ' CG ' ' A' ' 41' ' ' ASP . . . -104.48 104.58 2.43 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.207 -1.557 . . . . 0.81000000000000005 109.207 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.473 ' C ' ' CD1' ' A' ' 42' ' ' TRP . 24.1 m-20 -159.54 -102.59 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.232 -1.158 . . . . 1.23 109.669 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.473 ' CD1' ' C ' ' A' ' 41' ' ' ASP . 59.5 m95 -142.54 83.41 1.82 Allowed 'General case' 0 N--CA 1.485 1.317 0 N-CA-C 107.953 -1.129 . . . . 0.44 107.953 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.605 ' N ' ' CD1' ' A' ' 43' ' ' TRP . 0.9 OUTLIER -79.47 152.53 30.2 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-O 121.495 0.664 . . . . 0.46999999999999997 109.744 -179.868 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 1.055 HD21 ' CG2' ' A' ' 53' ' ' THR . 6.0 tp -96.99 125.73 41.63 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.46 -0.775 . . . . 1.04 109.643 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.41 ' HB2' HG12 ' A' ' 56' ' ' ILE . . . -112.83 153.38 27.95 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.22 -0.925 . . . . 0.56000000000000005 109.088 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.677 ' CE1' ' O ' ' A' ' 47' ' ' SER . 0.4 OUTLIER -117.77 126.13 51.87 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.279 -0.888 . . . . 0.98999999999999999 109.144 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.677 ' O ' ' CE1' ' A' ' 46' ' ' HIS . 14.7 m -72.47 142.07 48.58 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.292 -0.88 . . . . 1.0900000000000001 109.346 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.6 mt -90.03 -9.06 49.99 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.29 -0.881 . . . . 1.6799999999999999 109.535 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 23.5 m -72.41 -73.42 0.2 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.259 -0.901 . . . . 2.52 109.48 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.9 m -89.51 -44.74 9.91 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.248 -0.908 . . . . 3.0299999999999998 109.296 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.402 ' HA2' ' NE2' ' A' ' 46' ' ' HIS . . . 111.34 34.53 2.1 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.543 -1.423 . . . . 1.53 109.543 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -90.04 166.19 13.58 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.217 -1.167 . . . . 3.0899999999999999 109.469 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . 1.055 ' CG2' HD21 ' A' ' 44' ' ' LEU . 2.8 m -117.42 118.76 33.08 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.273 -0.892 . . . . 1.25 109.195 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.479 ' HA2' ' HG ' ' A' ' 24' ' ' LEU . . . -134.68 140.36 11.67 Favored Glycine 0 N--CA 1.488 2.142 0 C-N-CA 119.591 -1.29 . . . . 0.88 109.947 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.746 ' CE1' HD13 ' A' ' 44' ' ' LEU . 2.1 m-85 -80.77 104.88 11.59 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.404 -1.057 . . . . 2.3700000000000001 109.809 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.506 HG21 HD22 ' A' ' 32' ' ' LEU . 1.2 pp -88.68 126.41 59.88 Favored Pre-proline 0 N--CA 1.491 1.597 0 O-C-N 121.244 -0.91 . . . . 1.03 108.628 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.644 ' O ' HG12 ' A' ' 61' ' ' VAL . 5.7 Cg_exo -58.7 138.88 88.21 Favored 'Trans proline' 0 C--N 1.311 -1.439 0 C-N-CA 121.643 1.562 . . . . 0.51000000000000001 110.515 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.533 ' HB2' ' CZ2' ' A' ' 43' ' ' TRP . 1.1 p -62.81 -39.3 93.86 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.349 -0.845 . . . . 1.0700000000000001 109.131 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -69.26 -15.41 63.35 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.326 -0.859 . . . . 2.1200000000000001 109.026 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.531 ' CD2' ' HB2' ' A' ' 14' ' ' TYR . 3.6 m-30 -102.35 6.97 40.61 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.288 -0.882 . . . . 1.0800000000000001 109.555 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.644 HG12 ' O ' ' A' ' 57' ' ' PRO . 4.2 p -134.58 167.23 26.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.396 -0.815 . . . . 0.65000000000000002 109.461 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.628 ' N ' HG22 ' A' ' 61' ' ' VAL . . . -163.46 136.92 4.39 Favored Pre-proline 0 N--CA 1.491 1.594 0 O-C-N 121.485 -0.759 . . . . 0.62 109.54 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.445 ' O ' ' O ' ' A' ' 64' ' ' SER . 2.2 Cg_endo -62.7 86.43 0.11 Allowed 'Trans proline' 0 C--N 1.312 -1.351 0 C-N-CA 122.063 1.842 . . . . 1.1499999999999999 110.155 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.445 ' O ' ' O ' ' A' ' 63' ' ' PRO . 1.0 OUTLIER . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 117.981 -1.009 . . . . 2.8599999999999999 109.38 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.436 -0.579 . . . . 1.99 109.436 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -105.64 -168.98 1.52 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.276 -0.89 . . . . 0.90000000000000002 109.409 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.48 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 13.3 t -143.08 143.82 24.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.242 -0.911 . . . . 1.03 109.289 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' A' ' 27' ' ' LYS . . . -85.03 88.91 7.5 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.204 -0.935 . . . . 0.70999999999999996 109.758 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.493 ' HB3' ' CD1' ' A' ' 14' ' ' TYR . 10.9 mt -41.67 -52.9 3.74 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.252 -0.905 . . . . 0.92000000000000004 110.363 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.531 ' HB2' ' CD2' ' A' ' 60' ' ' TYR . 78.0 m-85 -123.08 -170.39 2.1 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.139 -0.976 . . . . 1.1599999999999999 110.482 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.507 ' HA ' ' HA ' ' A' ' 27' ' ' LYS . 1.5 p30 -110.11 64.52 0.61 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.515 -0.741 . . . . 2.3199999999999998 109.853 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.587 ' CZ ' ' CB ' ' A' ' 18' ' ' SER . 5.4 t80 -31.2 112.51 0.09 Allowed 'General case' 0 N--CA 1.498 1.957 0 CA-C-O 121.318 0.58 . . . . 1.25 110.199 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.461 ' O ' ' O ' ' A' ' 18' ' ' SER . 41.5 tt0 -92.03 64.08 4.55 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.259 -0.9 . . . . 3.0299999999999998 109.792 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.587 ' CB ' ' CZ ' ' A' ' 16' ' ' TYR . 1.0 OUTLIER -43.64 167.75 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.282 -0.886 . . . . 2.4399999999999999 109.48 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.3 mtp85 -123.49 -26.87 4.15 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.169 -0.957 . . . . 5.0099999999999998 109.673 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.26 158.16 16.25 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.205 -0.934 . . . . 2.4700000000000002 109.501 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -69.4 -25.3 64.07 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.229 -0.92 . . . . 3.7000000000000002 109.55 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -45.3 -53.34 8.57 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.274 -0.891 . . . . 2.1800000000000002 109.526 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -104.94 134.84 47.37 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.279 -0.888 . . . . 1.8100000000000001 109.562 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.507 HD11 ' O ' ' A' ' 53' ' ' THR . 8.7 mt -88.39 138.65 31.25 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.248 -0.908 . . . . 1.79 108.727 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.484 ' OG ' ' N ' ' A' ' 18' ' ' SER . 49.5 m -85.3 114.08 22.12 Favored 'General case' 0 C--N 1.296 -1.749 0 O-C-N 121.356 -0.84 . . . . 1.77 109.644 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.477 ' CE1' ' HB3' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -93.69 -160.45 0.77 Allowed 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 119.297 -0.961 . . . . 1.54 109.791 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.631 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 1.3 tttt -145.94 175.28 10.56 Favored 'General case' 0 C--N 1.295 -1.781 0 C-N-CA 119.916 -0.714 . . . . 3.54 110.049 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.508 ' HA ' ' O ' ' A' ' 12' ' ' ALA . 0.3 OUTLIER -89.32 140.91 29.02 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.456 -0.777 . . . . 2.3700000000000001 109.263 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.401 ' N ' ' HG2' ' A' ' 28' ' ' LYS . . . 99.6 -17.08 58.09 Favored Glycine 0 N--CA 1.49 2.239 0 N-CA-C 109.099 -1.6 . . . . 1.3300000000000001 109.099 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -85.48 149.33 25.47 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.417 -1.049 . . . . 3.8900000000000001 109.403 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.8 mtm180 -90.11 135.09 33.87 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.302 -0.874 . . . . 3.54 109.546 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.506 HD22 HG21 ' A' ' 56' ' ' ILE . 1.8 mp -135.34 144.46 46.68 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.257 -0.902 . . . . 1.04 109.349 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -102.27 102.81 13.23 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.215 -0.928 . . . . 2.1200000000000001 109.586 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.428 HG22 ' N ' ' A' ' 35' ' ' VAL . 38.6 mm -47.0 155.99 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.252 -0.905 . . . . 0.67000000000000004 109.43 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 44' ' ' LEU . 57.7 t -118.43 -64.08 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.207 -0.933 . . . . 0.96999999999999997 109.884 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.48 ' O ' ' HB3' ' A' ' 43' ' ' TRP . 3.3 m-20 -139.75 -164.26 1.65 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.326 -0.858 . . . . 2.1200000000000001 109.925 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.578 ' CB ' ' CD1' ' A' ' 43' ' ' TRP . 5.1 m120 61.25 94.75 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.336 -0.853 . . . . 3.96 109.941 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.3 t -90.33 -32.44 16.49 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.276 -0.89 . . . . 3.1800000000000002 109.325 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.544 ' O ' ' CZ2' ' A' ' 43' ' ' TRP . 9.3 mt-10 -60.72 -167.82 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.216 -0.927 . . . . 3.0600000000000001 109.205 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.435 ' O ' ' CG ' ' A' ' 41' ' ' ASP . . . -104.48 104.58 2.43 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.207 -1.557 . . . . 0.81000000000000005 109.207 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.473 ' C ' ' CD1' ' A' ' 42' ' ' TRP . 24.1 m-20 -159.54 -102.59 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.232 -1.158 . . . . 1.23 109.669 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.473 ' CD1' ' C ' ' A' ' 41' ' ' ASP . 59.5 m95 -142.54 83.41 1.82 Allowed 'General case' 0 N--CA 1.485 1.317 0 N-CA-C 107.953 -1.129 . . . . 0.44 107.953 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.605 ' N ' ' CD1' ' A' ' 43' ' ' TRP . 0.9 OUTLIER -79.47 152.53 30.2 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-O 121.495 0.664 . . . . 0.46999999999999997 109.744 -179.868 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 1.055 HD21 ' CG2' ' A' ' 53' ' ' THR . 6.0 tp -96.99 125.73 41.63 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.46 -0.775 . . . . 1.04 109.643 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.41 ' HB2' HG12 ' A' ' 56' ' ' ILE . . . -112.83 153.38 27.95 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.22 -0.925 . . . . 0.56000000000000005 109.088 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.592 ' CE1' ' HA2' ' A' ' 51' ' ' GLY . 1.0 OUTLIER -117.77 126.13 51.87 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.279 -0.888 . . . . 0.98999999999999999 109.144 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.482 ' O ' ' NE2' ' A' ' 46' ' ' HIS . 14.7 m -72.47 142.07 48.58 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.292 -0.88 . . . . 1.0900000000000001 109.346 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.6 mt -90.03 -9.06 49.99 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.29 -0.881 . . . . 1.6799999999999999 109.535 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 23.5 m -72.41 -73.42 0.2 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.259 -0.901 . . . . 2.52 109.48 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.9 m -89.51 -44.74 9.91 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.248 -0.908 . . . . 3.0299999999999998 109.296 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.592 ' HA2' ' CE1' ' A' ' 46' ' ' HIS . . . 111.34 34.53 2.1 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.543 -1.423 . . . . 1.53 109.543 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -90.04 166.19 13.58 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.217 -1.167 . . . . 3.0899999999999999 109.469 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 1.055 ' CG2' HD21 ' A' ' 44' ' ' LEU . 2.8 m -117.42 118.76 33.08 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.273 -0.892 . . . . 1.25 109.195 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.479 ' HA2' ' HG ' ' A' ' 24' ' ' LEU . . . -134.68 140.36 11.67 Favored Glycine 0 N--CA 1.488 2.142 0 C-N-CA 119.591 -1.29 . . . . 0.88 109.947 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.746 ' CE1' HD13 ' A' ' 44' ' ' LEU . 2.1 m-85 -80.77 104.88 11.59 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.404 -1.057 . . . . 2.3700000000000001 109.809 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.506 HG21 HD22 ' A' ' 32' ' ' LEU . 1.2 pp -88.68 126.41 59.88 Favored Pre-proline 0 N--CA 1.491 1.597 0 O-C-N 121.244 -0.91 . . . . 1.03 108.628 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.644 ' O ' HG12 ' A' ' 61' ' ' VAL . 5.7 Cg_exo -58.7 138.88 88.21 Favored 'Trans proline' 0 C--N 1.311 -1.439 0 C-N-CA 121.643 1.562 . . . . 0.51000000000000001 110.515 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.533 ' HB2' ' CZ2' ' A' ' 43' ' ' TRP . 1.1 p -62.81 -39.3 93.86 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.349 -0.845 . . . . 1.0700000000000001 109.131 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -69.26 -15.41 63.35 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.326 -0.859 . . . . 2.1200000000000001 109.026 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.531 ' CD2' ' HB2' ' A' ' 14' ' ' TYR . 3.6 m-30 -102.35 6.97 40.61 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.288 -0.882 . . . . 1.0800000000000001 109.555 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.644 HG12 ' O ' ' A' ' 57' ' ' PRO . 4.2 p -134.58 167.23 26.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.396 -0.815 . . . . 0.65000000000000002 109.461 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.628 ' N ' HG22 ' A' ' 61' ' ' VAL . . . -163.46 136.92 4.39 Favored Pre-proline 0 N--CA 1.491 1.594 0 O-C-N 121.485 -0.759 . . . . 0.62 109.54 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.445 ' O ' ' O ' ' A' ' 64' ' ' SER . 2.2 Cg_endo -62.7 86.43 0.11 Allowed 'Trans proline' 0 C--N 1.312 -1.351 0 C-N-CA 122.063 1.842 . . . . 1.1499999999999999 110.155 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.445 ' O ' ' O ' ' A' ' 63' ' ' PRO . 1.0 OUTLIER . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 117.981 -1.009 . . . . 2.8599999999999999 109.38 -179.967 . . . . . . . . 2 2 . 1 stop_ save_