data_2nrg_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 2nrg _Structure_validation_residue.Date_analyzed 2016-10-08 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' ' ' MET . . . . . . . . . . . . . 5.0 tpt . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.636 0.255 . . . . 16.870000000000001 111.607 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.36 127.85 56.12 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.786 0.326 . . . . 14.210000000000001 111.178 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -104.96 170.4 7.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 13.779999999999999 111.017 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.8 175.02 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.165 -0.471 . . . . 15.050000000000001 110.952 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 69.48 -65.85 0.28 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.351 -0.386 . . . . 11.220000000000001 110.293 -179.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.9 pt -89.89 0.52 8.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 10.75 111.256 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.59 -17.23 59.69 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 116.502 -0.317 . . . . 8.0399999999999991 111.227 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.6 p-10 -48.66 -26.45 2.28 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.443 -0.344 . . . . 9.3699999999999992 111.509 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -47.2 137.69 7.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.433 -0.349 . . . . 10.529999999999999 111.235 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -51.99 -31.63 30.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 13.02 111.182 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.56 125.41 24.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 12.970000000000001 110.663 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -57.28 -97.8 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 116.293 -0.412 . . . . 13.119999999999999 110.758 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.5 t 33.6 55.35 0.53 Allowed 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.142 0.496 . . . . 10.84 111.828 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.675 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 6.0 t30 -85.25 -23.07 0.31 Allowed Pre-proline 0 CA--C 1.537 0.464 0 N-CA-C 113.053 0.76 . . . . 8.9000000000000004 113.053 -179.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.675 ' CD ' ' N ' ' A' ' 14' ' ' ASN . 87.5 Cg_exo -48.48 -20.38 2.51 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 122.094 1.863 . . . . 11.42 113.264 -179.319 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.547 ' O ' ' CB ' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -49.59 -37.69 28.58 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-O 120.383 0.135 . . . . 9.6799999999999997 111.311 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.1 m -92.97 -55.14 3.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.979 0.419 . . . . 6.4199999999999999 111.628 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.467 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 13.4 m-20 -53.86 -49.49 68.37 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.757 -0.656 . . . . 9.1600000000000001 112.667 -178.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.408 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 2.9 tp -75.59 -44.73 41.58 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.979 0.419 . . . . 10.51 110.702 -179.301 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.547 ' CB ' ' O ' ' A' ' 16' ' ' LYS . 1.0 OUTLIER -56.49 -35.7 68.29 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.813 -0.63 . . . . 7.9900000000000002 111.661 -179.223 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 18' ' ' ASN . 4.5 pp -78.63 -37.48 42.05 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.756 -0.461 . . . . 5.2400000000000002 109.756 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.426 ' N ' ' CD1' ' A' ' 21' ' ' LEU . 0.5 OUTLIER -63.4 -42.08 98.78 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 108.316 -0.994 . . . . 10.4 108.316 178.045 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.529 ' O ' ' HG2' ' A' ' 27' ' ' MET . 40.6 t -64.6 -28.85 45.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 114.951 -1.022 . . . . 7.9900000000000002 109.239 177.549 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.446 ' HB2' ' NH2' ' A' ' 20' ' ' ARG . . . -78.67 -31.24 46.63 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-N 115.187 -0.915 . . . . 5.0800000000000001 111.126 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.856 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -70.42 -26.84 63.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.536 -0.756 . . . . 8.1600000000000001 111.938 -179.036 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.79 -34.34 13.91 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 120.733 -0.387 . . . . 7.6299999999999999 111.659 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.592 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 18.1 ptm -81.13 -41.58 22.25 Favored 'General case' 0 CA--C 1.508 -0.663 0 CA-C-O 121.218 0.532 . . . . 7.5800000000000001 111.385 -179.161 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -94.42 -38.11 11.11 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 115.522 -0.763 . . . . 7.1900000000000004 111.719 -178.167 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.856 ' HB3' ' O ' ' A' ' 25' ' ' PHE . 0.4 OUTLIER -96.96 -29.89 13.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.007 0.432 . . . . 7.8700000000000001 110.07 179.382 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -89.19 -3.99 75.05 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.742 -0.742 . . . . 5.7400000000000002 112.488 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.592 ' CB ' ' O ' ' A' ' 27' ' ' MET . . . -89.95 -41.27 11.86 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.879 0.371 . . . . 6.7199999999999998 111.007 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -84.38 -37.95 10.39 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.536 -0.84 . . . . 7.96 111.81 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.419 ' CD1' HG22 ' A' ' 37' ' ' VAL . 13.5 t90 -90.24 -70.99 0.64 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.68 0.276 . . . . 11.5 110.941 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.451 ' O ' ' CB ' ' A' ' 38' ' ' PHE . . . -60.85 -29.9 69.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.876 0.37 . . . . 6.2999999999999998 110.83 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.448 ' O ' ' CB ' ' A' ' 39' ' ' PHE . . . -53.07 -53.79 32.28 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.03 -1.081 . . . . 6.4900000000000002 111.737 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -84.8 -35.57 12.98 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.821 -0.704 . . . . 8.3399999999999999 113.073 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.419 HG22 ' CD1' ' A' ' 33' ' ' TRP . 69.7 t -76.22 -52.46 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 CA-C-O 121.104 0.478 . . . . 9.0099999999999998 110.737 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.451 ' CB ' ' O ' ' A' ' 34' ' ' ALA . 4.1 t80 -69.91 -58.55 3.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.638 -0.71 . . . . 8.1799999999999997 111.67 -179.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.448 ' CB ' ' O ' ' A' ' 35' ' ' GLY . 2.5 t80 -60.24 -40.23 89.51 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.962 -0.295 . . . . 7.9299999999999997 110.526 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.552 ' O ' HD22 ' A' ' 43' ' ' LEU . . . -57.98 -29.28 61.95 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.305 -0.95 . . . . 7.5499999999999998 111.213 178.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 23.9 m -85.93 -44.52 12.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.624 0.25 . . . . 8.0999999999999996 110.614 179.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 72.6 mt -61.87 -36.64 81.86 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 120.939 0.4 . . . . 6.5199999999999996 110.394 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.567 ' O ' ' CB ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -73.26 -30.78 63.68 Favored 'General case' 0 N--CA 1.444 -0.768 0 N-CA-C 108.943 -0.762 . . . . 7.5999999999999996 108.943 178.485 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.76 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -74.54 -40.52 61.67 Favored 'General case' 0 C--O 1.224 -0.282 0 C-N-CA 120.51 -0.476 . . . . 9.0299999999999994 111.052 179.262 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 7.4 mt -90.84 -45.87 14.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 112.447 0.536 . . . . 8.3200000000000003 112.447 -178.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -66.47 -29.74 75.33 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 111.212 -0.755 . . . . 6.0099999999999998 111.212 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.567 ' CB ' ' O ' ' A' ' 43' ' ' LEU . 7.7 t80 -85.37 -32.63 22.32 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-O 120.894 0.378 . . . . 8.2300000000000004 110.169 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.76 ' HB2' ' O ' ' A' ' 44' ' ' LEU . 1.9 t80 -75.05 -35.96 61.86 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.989 -0.55 . . . . 9.2799999999999994 110.278 179.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -73.22 -32.67 64.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.652 -0.704 . . . . 10.4 110.891 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.403 HG12 ' HA ' ' A' ' 47' ' ' PHE . 7.9 p -80.34 -29.49 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.329 -0.396 . . . . 6.9400000000000004 110.904 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.443 ' O ' ' HD3' ' A' ' 56' ' ' PRO . 55.2 t -67.19 -9.18 9.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.41 -0.516 . . . . 6.1900000000000004 109.966 178.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -114.48 -15.32 8.27 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 121.003 -0.618 . . . . 6.9400000000000004 112.404 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.428 ' O ' ' HG3' ' A' ' 54' ' ' MET . 0.0 OUTLIER -109.62 15.12 23.08 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 117.087 0.443 . . . . 11.85 111.619 -179.79 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.428 ' HG3' ' O ' ' A' ' 53' ' ' ARG . 11.2 mtm -172.16 44.89 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.976 0.417 . . . . 10.970000000000001 110.414 -179.583 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.606 ' O ' ' N ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -153.71 -60.27 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 109.423 -0.584 . . . . 7.3300000000000001 109.423 179.605 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.443 ' HD3' ' O ' ' A' ' 51' ' ' VAL . 44.9 Cg_exo -53.15 -17.05 7.54 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 120.905 1.07 . . . . 6.1900000000000004 109.464 176.344 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.453 HD11 ' HB3' ' A' ' 58' ' ' GLN . 0.1 OUTLIER -92.52 -49.94 12.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 CA-C-N 114.904 -1.044 . . . . 9.5500000000000007 111.196 179.782 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.453 ' HB3' HD11 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -91.61 -34.33 14.76 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.751 0.31 . . . . 11.27 111.709 -179.236 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.606 ' N ' ' O ' ' A' ' 55' ' ' LEU . 1.6 tm-20 -59.31 -18.07 34.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.177 -0.465 . . . . 8.25 110.581 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -48.82 -25.74 2.03 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.206 -0.452 . . . . 8.0199999999999996 110.593 179.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 68.87 67.11 0.29 Allowed 'General case' 0 C--O 1.231 0.114 0 CA-C-N 115.949 -0.569 . . . . 12.26 110.61 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.456 ' CB ' ' HG2' ' A' ' 65' ' ' PRO . . . -153.15 131.81 6.64 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 115.937 -0.574 . . . . 10.31 110.968 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 62' ' ' ALA . 23.2 Cg_exo -62.94 -73.02 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.34 2.027 . . . . 12.44 112.434 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.695 ' N ' ' HD3' ' A' ' 65' ' ' PRO . . . -149.41 49.89 0.73 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.472 -0.331 . . . . 11.75 110.914 179.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.695 ' HD3' ' N ' ' A' ' 64' ' ' ALA . 39.6 Cg_endo -96.4 -65.71 0.0 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.948 0 C-N-CA 123.411 2.741 . . . . 10.390000000000001 112.394 -179.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -75.68 -37.93 59.15 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.045 0.45 . . . . 7.96 110.128 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 6.8 mt -144.39 -127.64 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 CA-C-N 115.787 -0.642 . . . . 10.24 110.389 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -160.04 28.87 0.18 Allowed 'General case' 0 C--O 1.231 0.098 0 O-C-N 122.061 -0.4 . . . . 9.6099999999999994 111.149 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.99 -72.83 2.21 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.667 -0.777 . . . . 9.3599999999999994 112.884 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -121.13 117.95 28.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.898 0.38 . . . . 10.18 111.493 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.2 mt 65.66 -72.51 0.07 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.995 -0.548 . . . . 11.51 111.231 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -179.64 -174.84 0.31 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.835 0.35 . . . . 12.33 110.888 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.4 t -63.3 167.6 5.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 12.960000000000001 110.915 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -61.07 84.61 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 14.33 112.461 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 1.7 pp -116.24 127.94 73.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.847 0.356 . . . . 16.010000000000002 111.139 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -98.52 33.02 2.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 17.329999999999998 110.924 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.17 -26.39 64.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 18.640000000000001 110.934 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 42.9 pt -73.67 -7.42 9.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.209 -0.451 . . . . 19.34 111.596 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? 68.21 37.92 2.73 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.838 0.351 . . . . 20.760000000000002 110.87 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.403 ' O ' ' CG ' ' A' ' 80' ' ' HIS . 74.5 t60 -112.01 30.89 6.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 22.420000000000002 110.867 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.0 tp -78.46 120.18 22.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 23.870000000000001 110.934 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 35.0 m . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.226 -0.892 . . . . 24.23 111.729 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.0 tpt . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.636 0.255 . . . . 16.620000000000001 111.607 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.514 ' CB ' HG23 ' A' ' 13' ' ' THR . . . -112.36 127.85 56.12 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.786 0.326 . . . . 13.710000000000001 111.178 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -104.96 170.4 7.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 13.779999999999999 111.017 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.743 ' CE ' HG21 ' A' ' 17' ' ' THR . 0.0 OUTLIER -50.8 175.02 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.165 -0.471 . . . . 14.789999999999999 110.952 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 69.48 -65.85 0.28 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.351 -0.386 . . . . 10.94 110.293 -179.508 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.9 pt -89.89 0.52 8.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 10.460000000000001 111.256 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.59 -17.23 59.69 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 116.502 -0.317 . . . . 7.46 111.227 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.6 p-10 -48.66 -26.45 2.28 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.443 -0.344 . . . . 8.9600000000000009 111.509 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -47.2 137.69 7.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.433 -0.349 . . . . 10.529999999999999 111.235 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -51.99 -31.63 30.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 12.5 111.182 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.723 HD12 HG22 ' A' ' 13' ' ' THR . 1.0 OUTLIER -64.56 125.41 24.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 12.710000000000001 110.663 179.805 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -57.28 -97.8 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 116.293 -0.412 . . . . 12.57 110.758 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.723 HG22 HD12 ' A' ' 11' ' ' LEU . 9.5 t 33.6 55.35 0.53 Allowed 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.142 0.496 . . . . 10.529999999999999 111.828 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.675 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 6.0 t30 -85.25 -23.07 0.31 Allowed Pre-proline 0 CA--C 1.537 0.464 0 N-CA-C 113.053 0.76 . . . . 8.5299999999999994 113.053 -179.388 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.675 ' CD ' ' N ' ' A' ' 14' ' ' ASN . 87.5 Cg_exo -48.48 -20.38 2.51 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 122.094 1.863 . . . . 10.75 113.264 -179.319 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.547 ' O ' ' CB ' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -49.59 -37.69 28.58 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-O 120.383 0.135 . . . . 9.4100000000000001 111.311 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.743 HG21 ' CE ' ' A' ' 4' ' ' LYS . 21.1 m -92.97 -55.14 3.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.979 0.419 . . . . 6.0899999999999999 111.628 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.473 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 13.4 m-20 -53.86 -49.49 68.37 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.757 -0.656 . . . . 8.6899999999999995 112.667 -178.516 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.927 ' O ' HG23 ' A' ' 23' ' ' VAL . 2.9 tp -75.59 -44.73 41.58 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.979 0.419 . . . . 10.15 110.702 -179.301 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.547 ' CB ' ' O ' ' A' ' 16' ' ' LYS . 1.0 OUTLIER -56.49 -35.7 68.29 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.813 -0.63 . . . . 7.6100000000000003 111.661 -179.223 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.834 HD12 ' N ' ' A' ' 22' ' ' TRP . 4.5 pp -78.63 -37.48 42.05 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.756 -0.461 . . . . 4.9199999999999999 109.756 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.834 ' N ' HD12 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -63.4 -42.08 98.78 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 108.316 -0.994 . . . . 9.7400000000000002 108.316 178.045 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.927 HG23 ' O ' ' A' ' 19' ' ' LEU . 40.6 t -64.6 -28.85 45.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 114.951 -1.022 . . . . 7.5800000000000001 109.239 177.549 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.432 ' HA ' ' HG2' ' A' ' 27' ' ' MET . . . -78.67 -31.24 46.63 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-N 115.187 -0.915 . . . . 4.8700000000000001 111.126 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.86 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -70.42 -26.84 63.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.536 -0.756 . . . . 7.4800000000000004 111.938 -179.036 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -92.79 -34.34 13.91 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 120.733 -0.387 . . . . 7.5599999999999996 111.659 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.673 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 18.1 ptm -81.13 -41.58 22.25 Favored 'General case' 0 CA--C 1.508 -0.663 0 CA-C-O 121.218 0.532 . . . . 7.2999999999999998 111.385 -179.161 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -94.42 -38.11 11.11 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 115.522 -0.763 . . . . 7.0899999999999999 111.719 -178.167 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.86 ' HB3' ' O ' ' A' ' 25' ' ' PHE . 0.4 OUTLIER -96.96 -29.89 13.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.007 0.432 . . . . 7.5999999999999996 110.07 179.382 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.546 ' O ' ' HB3' ' A' ' 34' ' ' ALA . . . -89.19 -3.99 75.05 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.742 -0.742 . . . . 5.5999999999999996 112.488 179.663 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.673 ' HB2' ' O ' ' A' ' 27' ' ' MET . . . -89.95 -41.27 11.86 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.879 0.371 . . . . 6.6600000000000001 111.007 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -84.38 -37.95 10.39 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.536 -0.84 . . . . 7.9000000000000004 111.81 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.524 ' CD1' HG21 ' A' ' 37' ' ' VAL . 13.5 t90 -90.24 -70.99 0.64 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.68 0.276 . . . . 10.720000000000001 110.941 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 30' ' ' GLY . . . -60.85 -29.9 69.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.876 0.37 . . . . 6.2300000000000004 110.83 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.448 ' O ' ' CB ' ' A' ' 39' ' ' PHE . . . -53.07 -53.79 32.28 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.03 -1.081 . . . . 6.4900000000000002 111.737 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -84.8 -35.57 12.98 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.821 -0.704 . . . . 7.7400000000000002 113.073 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.524 HG21 ' CD1' ' A' ' 33' ' ' TRP . 69.7 t -76.22 -52.46 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 CA-C-O 121.104 0.478 . . . . 8.7300000000000004 110.737 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.529 ' CE2' HD11 ' A' ' 42' ' ' LEU . 4.1 t80 -69.91 -58.55 3.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.638 -0.71 . . . . 7.4699999999999998 111.67 -179.291 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.448 ' CB ' ' O ' ' A' ' 35' ' ' GLY . 2.5 t80 -60.24 -40.23 89.51 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.962 -0.295 . . . . 7.3600000000000003 110.526 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.4 ' O ' ' CD2' ' A' ' 43' ' ' LEU . . . -57.98 -29.28 61.95 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.305 -0.95 . . . . 7.0099999999999998 111.213 178.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.542 HG22 HD12 ' A' ' 45' ' ' ILE . 23.9 m -85.93 -44.52 12.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.624 0.25 . . . . 7.79 110.614 179.282 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.529 HD11 ' CE2' ' A' ' 38' ' ' PHE . 72.6 mt -61.87 -36.64 81.86 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 120.939 0.4 . . . . 6.1200000000000001 110.394 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.92 HD23 ' N ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -73.26 -30.78 63.68 Favored 'General case' 0 N--CA 1.444 -0.768 0 N-CA-C 108.943 -0.762 . . . . 7.21 108.943 178.485 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.92 ' N ' HD23 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -74.54 -40.52 61.67 Favored 'General case' 0 C--O 1.224 -0.282 0 C-N-CA 120.51 -0.476 . . . . 8.7300000000000004 111.052 179.262 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.542 HD12 HG22 ' A' ' 41' ' ' THR . 7.4 mt -90.84 -45.87 14.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 112.447 0.536 . . . . 8.0999999999999996 112.447 -178.493 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.444 ' O ' HG12 ' A' ' 50' ' ' VAL . . . -66.47 -29.74 75.33 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 111.212 -0.755 . . . . 5.5800000000000001 111.212 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.882 ' O ' HG23 ' A' ' 51' ' ' VAL . 7.7 t80 -85.37 -32.63 22.32 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-O 120.894 0.378 . . . . 7.5599999999999996 110.169 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.789 ' HB2' ' O ' ' A' ' 44' ' ' LEU . 1.9 t80 -75.05 -35.96 61.86 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.989 -0.55 . . . . 8.5600000000000005 110.278 179.391 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -73.22 -32.67 64.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.652 -0.704 . . . . 9.7699999999999996 110.891 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.494 HG12 ' HA ' ' A' ' 47' ' ' PHE . 7.9 p -80.34 -29.49 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.329 -0.396 . . . . 6.6399999999999997 110.904 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.882 HG23 ' O ' ' A' ' 47' ' ' PHE . 55.2 t -67.19 -9.18 9.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.41 -0.516 . . . . 5.8600000000000003 109.966 178.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -114.48 -15.32 8.27 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 121.003 -0.618 . . . . 6.9400000000000004 112.404 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.447 ' O ' ' HG3' ' A' ' 54' ' ' MET . 0.0 OUTLIER -109.62 15.12 23.08 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 117.087 0.443 . . . . 11.35 111.619 -179.79 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.447 ' HG3' ' O ' ' A' ' 53' ' ' ARG . 11.2 mtm -172.16 44.89 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.976 0.417 . . . . 10.57 110.414 -179.583 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.643 HD13 ' HA ' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -153.71 -60.27 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 109.423 -0.584 . . . . 7.0099999999999998 109.423 179.605 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.464 ' HD3' ' O ' ' A' ' 51' ' ' VAL . 44.9 Cg_exo -53.15 -17.05 7.54 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 120.905 1.07 . . . . 6.1900000000000004 109.464 176.344 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.771 HD13 ' N ' ' A' ' 58' ' ' GLN . 0.1 OUTLIER -92.52 -49.94 12.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 CA-C-N 114.904 -1.044 . . . . 8.8599999999999994 111.196 179.782 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.771 ' N ' HD13 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -91.61 -34.33 14.76 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.751 0.31 . . . . 10.67 111.709 -179.236 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.606 ' N ' ' O ' ' A' ' 55' ' ' LEU . 1.6 tm-20 -59.31 -18.07 34.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.177 -0.465 . . . . 8.2100000000000009 110.581 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -48.82 -25.74 2.03 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.206 -0.452 . . . . 8.0199999999999996 110.593 179.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 68.87 67.11 0.29 Allowed 'General case' 0 C--O 1.231 0.114 0 CA-C-N 115.949 -0.569 . . . . 11.77 110.61 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.968 ' HB1' ' CG ' ' A' ' 65' ' ' PRO . . . -153.15 131.81 6.64 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 115.937 -0.574 . . . . 9.7300000000000004 110.968 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 62' ' ' ALA . 23.2 Cg_exo -62.94 -73.02 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.34 2.027 . . . . 11.710000000000001 112.434 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.703 ' N ' ' HD3' ' A' ' 65' ' ' PRO . . . -149.41 49.89 0.73 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.472 -0.331 . . . . 11.220000000000001 110.914 179.446 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.968 ' CG ' ' HB1' ' A' ' 62' ' ' ALA . 39.6 Cg_endo -96.4 -65.71 0.0 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.948 0 C-N-CA 123.411 2.741 . . . . 9.6999999999999993 112.394 -179.656 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -75.68 -37.93 59.15 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.045 0.45 . . . . 7.96 110.128 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 6.8 mt -144.39 -127.64 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 CA-C-N 115.787 -0.642 . . . . 9.9600000000000009 110.389 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.576 HG21 ' HA ' ' A' ' 73' ' ' THR . 0.1 OUTLIER -160.04 28.87 0.18 Allowed 'General case' 0 C--O 1.231 0.098 0 O-C-N 122.061 -0.4 . . . . 9.4100000000000001 111.149 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.99 -72.83 2.21 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.667 -0.777 . . . . 9.2300000000000004 112.884 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -121.13 117.95 28.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.898 0.38 . . . . 9.9000000000000004 111.493 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.2 mt 65.66 -72.51 0.07 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.995 -0.548 . . . . 11.119999999999999 111.231 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -179.64 -174.84 0.31 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.835 0.35 . . . . 12.33 110.888 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.713 HG23 HG23 ' A' ' 75' ' ' ILE . 9.4 t -63.3 167.6 5.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 12.94 110.915 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -61.07 84.61 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 14.33 112.461 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.713 HG23 HG23 ' A' ' 73' ' ' THR . 1.7 pp -116.24 127.94 73.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.847 0.356 . . . . 15.789999999999999 111.139 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.676 ' HG3' HD13 ' A' ' 81' ' ' LEU . 25.3 mm-40 -98.52 33.02 2.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 17.329999999999998 110.924 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.17 -26.39 64.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 18.41 110.934 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 42.9 pt -73.67 -7.42 9.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.209 -0.451 . . . . 19.210000000000001 111.596 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? 68.21 37.92 2.73 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.838 0.351 . . . . 20.559999999999999 110.87 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.403 ' O ' ' CG ' ' A' ' 80' ' ' HIS . 74.5 t60 -112.01 30.89 6.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 22.129999999999999 110.867 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.676 HD13 ' HG3' ' A' ' 76' ' ' GLU . 7.0 tp -78.46 120.18 22.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 23.68 110.934 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 35.0 m . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.226 -0.892 . . . . 23.989999999999998 111.729 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.0 tpt . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.636 0.255 . . . . 16.620000000000001 111.607 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.514 ' CB ' HG23 ' A' ' 13' ' ' THR . . . -112.36 127.85 56.12 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.786 0.326 . . . . 13.710000000000001 111.178 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -104.96 170.4 7.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 13.779999999999999 111.017 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.743 ' CE ' HG21 ' A' ' 17' ' ' THR . 0.0 OUTLIER -50.8 175.02 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.165 -0.471 . . . . 14.789999999999999 110.952 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 69.48 -65.85 0.28 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.351 -0.386 . . . . 10.94 110.293 -179.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.9 pt -89.89 0.52 8.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 10.460000000000001 111.256 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.59 -17.23 59.69 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 116.502 -0.317 . . . . 7.46 111.227 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.6 p-10 -48.66 -26.45 2.28 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.443 -0.344 . . . . 8.9600000000000009 111.509 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -47.2 137.69 7.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.433 -0.349 . . . . 10.529999999999999 111.235 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -51.99 -31.63 30.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 12.5 111.182 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.723 HD12 HG22 ' A' ' 13' ' ' THR . 1.0 OUTLIER -64.56 125.41 24.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 12.710000000000001 110.663 179.805 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -57.28 -97.8 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 116.293 -0.412 . . . . 12.57 110.758 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.723 HG22 HD12 ' A' ' 11' ' ' LEU . 9.5 t 33.6 55.35 0.53 Allowed 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.142 0.496 . . . . 10.529999999999999 111.828 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.675 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 6.0 t30 -85.25 -23.07 0.31 Allowed Pre-proline 0 CA--C 1.537 0.464 0 N-CA-C 113.053 0.76 . . . . 8.5299999999999994 113.053 -179.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.675 ' CD ' ' N ' ' A' ' 14' ' ' ASN . 87.5 Cg_exo -48.48 -20.38 2.51 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 122.094 1.863 . . . . 10.75 113.264 -179.319 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.547 ' O ' ' CB ' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -49.59 -37.69 28.58 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-O 120.383 0.135 . . . . 9.4100000000000001 111.311 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.743 HG21 ' CE ' ' A' ' 4' ' ' LYS . 21.1 m -92.97 -55.14 3.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.979 0.419 . . . . 6.0899999999999999 111.628 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.473 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 13.4 m-20 -53.86 -49.49 68.37 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.757 -0.656 . . . . 8.6899999999999995 112.667 -178.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.927 ' O ' HG23 ' A' ' 23' ' ' VAL . 2.9 tp -75.59 -44.73 41.58 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.979 0.419 . . . . 10.15 110.702 -179.301 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.547 ' CB ' ' O ' ' A' ' 16' ' ' LYS . 1.0 OUTLIER -56.49 -35.7 68.29 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.813 -0.63 . . . . 7.6100000000000003 111.661 -179.223 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.834 HD12 ' N ' ' A' ' 22' ' ' TRP . 4.5 pp -78.63 -37.48 42.05 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.756 -0.461 . . . . 4.9199999999999999 109.756 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.834 ' N ' HD12 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -63.4 -42.08 98.78 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 108.316 -0.994 . . . . 9.7400000000000002 108.316 178.045 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.927 HG23 ' O ' ' A' ' 19' ' ' LEU . 40.6 t -64.6 -28.85 45.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 114.951 -1.022 . . . . 7.5800000000000001 109.239 177.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.432 ' HA ' ' HG2' ' A' ' 27' ' ' MET . . . -78.67 -31.24 46.63 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-N 115.187 -0.915 . . . . 4.8700000000000001 111.126 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.86 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -70.42 -26.84 63.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.536 -0.756 . . . . 7.4800000000000004 111.938 -179.036 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.79 -34.34 13.91 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 120.733 -0.387 . . . . 7.5599999999999996 111.659 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.673 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 18.1 ptm -81.13 -41.58 22.25 Favored 'General case' 0 CA--C 1.508 -0.663 0 CA-C-O 121.218 0.532 . . . . 7.2999999999999998 111.385 -179.161 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -94.42 -38.11 11.11 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 115.522 -0.763 . . . . 7.0899999999999999 111.719 -178.167 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.86 ' HB3' ' O ' ' A' ' 25' ' ' PHE . 0.4 OUTLIER -96.96 -29.89 13.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.007 0.432 . . . . 7.5999999999999996 110.07 179.382 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.546 ' O ' ' HB3' ' A' ' 34' ' ' ALA . . . -89.19 -3.99 75.05 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.742 -0.742 . . . . 5.5999999999999996 112.488 179.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.673 ' HB2' ' O ' ' A' ' 27' ' ' MET . . . -89.95 -41.27 11.86 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.879 0.371 . . . . 6.6600000000000001 111.007 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -84.38 -37.95 10.39 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.536 -0.84 . . . . 7.9000000000000004 111.81 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.524 ' CD1' HG21 ' A' ' 37' ' ' VAL . 13.5 t90 -90.24 -70.99 0.64 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.68 0.276 . . . . 10.720000000000001 110.941 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 30' ' ' GLY . . . -60.85 -29.9 69.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.876 0.37 . . . . 6.2300000000000004 110.83 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.448 ' O ' ' CB ' ' A' ' 39' ' ' PHE . . . -53.07 -53.79 32.28 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.03 -1.081 . . . . 6.4900000000000002 111.737 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -84.8 -35.57 12.98 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.821 -0.704 . . . . 7.7400000000000002 113.073 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.524 HG21 ' CD1' ' A' ' 33' ' ' TRP . 69.7 t -76.22 -52.46 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 CA-C-O 121.104 0.478 . . . . 8.7300000000000004 110.737 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.529 ' CE2' HD11 ' A' ' 42' ' ' LEU . 4.1 t80 -69.91 -58.55 3.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.638 -0.71 . . . . 7.4699999999999998 111.67 -179.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.448 ' CB ' ' O ' ' A' ' 35' ' ' GLY . 2.5 t80 -60.24 -40.23 89.51 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.962 -0.295 . . . . 7.3600000000000003 110.526 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.4 ' O ' ' CD2' ' A' ' 43' ' ' LEU . . . -57.98 -29.28 61.95 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.305 -0.95 . . . . 7.0099999999999998 111.213 178.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.542 HG22 HD12 ' A' ' 45' ' ' ILE . 23.9 m -85.93 -44.52 12.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.624 0.25 . . . . 7.79 110.614 179.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.529 HD11 ' CE2' ' A' ' 38' ' ' PHE . 72.6 mt -61.87 -36.64 81.86 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 120.939 0.4 . . . . 6.1200000000000001 110.394 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.92 HD23 ' N ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -73.26 -30.78 63.68 Favored 'General case' 0 N--CA 1.444 -0.768 0 N-CA-C 108.943 -0.762 . . . . 7.21 108.943 178.485 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.92 ' N ' HD23 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -74.54 -40.52 61.67 Favored 'General case' 0 C--O 1.224 -0.282 0 C-N-CA 120.51 -0.476 . . . . 8.7300000000000004 111.052 179.262 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.542 HD12 HG22 ' A' ' 41' ' ' THR . 7.4 mt -90.84 -45.87 14.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 112.447 0.536 . . . . 8.0999999999999996 112.447 -178.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.444 ' O ' HG12 ' A' ' 50' ' ' VAL . . . -66.47 -29.74 75.33 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 111.212 -0.755 . . . . 5.5800000000000001 111.212 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.882 ' O ' HG23 ' A' ' 51' ' ' VAL . 7.7 t80 -85.37 -32.63 22.32 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-O 120.894 0.378 . . . . 7.5599999999999996 110.169 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.789 ' HB2' ' O ' ' A' ' 44' ' ' LEU . 1.9 t80 -75.05 -35.96 61.86 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.989 -0.55 . . . . 8.5600000000000005 110.278 179.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -73.22 -32.67 64.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.652 -0.704 . . . . 9.7699999999999996 110.891 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.494 HG12 ' HA ' ' A' ' 47' ' ' PHE . 7.9 p -80.34 -29.49 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.329 -0.396 . . . . 6.6399999999999997 110.904 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.882 HG23 ' O ' ' A' ' 47' ' ' PHE . 55.2 t -67.19 -9.18 9.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.41 -0.516 . . . . 5.8600000000000003 109.966 178.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -114.48 -15.32 8.27 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 121.003 -0.618 . . . . 6.9400000000000004 112.404 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.447 ' O ' ' HG3' ' A' ' 54' ' ' MET . 0.0 OUTLIER -109.62 15.12 23.08 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 117.087 0.443 . . . . 11.35 111.619 -179.79 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.447 ' HG3' ' O ' ' A' ' 53' ' ' ARG . 11.2 mtm -172.16 44.89 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.976 0.417 . . . . 10.57 110.414 -179.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.643 HD13 ' HA ' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -153.71 -60.27 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 109.423 -0.584 . . . . 7.0099999999999998 109.423 179.605 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.464 ' HD3' ' O ' ' A' ' 51' ' ' VAL . 44.9 Cg_exo -53.15 -17.05 7.54 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 120.905 1.07 . . . . 6.1900000000000004 109.464 176.344 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.771 HD13 ' N ' ' A' ' 58' ' ' GLN . 0.1 OUTLIER -92.52 -49.94 12.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 CA-C-N 114.904 -1.044 . . . . 8.8599999999999994 111.196 179.782 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.771 ' N ' HD13 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -91.61 -34.33 14.76 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.751 0.31 . . . . 10.67 111.709 -179.236 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.606 ' N ' ' O ' ' A' ' 55' ' ' LEU . 1.6 tm-20 -59.31 -18.07 34.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.177 -0.465 . . . . 8.2100000000000009 110.581 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -48.82 -25.74 2.03 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.206 -0.452 . . . . 8.0199999999999996 110.593 179.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 68.87 67.11 0.29 Allowed 'General case' 0 C--O 1.231 0.114 0 CA-C-N 115.949 -0.569 . . . . 11.77 110.61 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.968 ' HB1' ' CG ' ' A' ' 65' ' ' PRO . . . -153.15 131.81 6.64 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 115.937 -0.574 . . . . 9.7300000000000004 110.968 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 62' ' ' ALA . 23.2 Cg_exo -62.94 -73.02 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.34 2.027 . . . . 11.710000000000001 112.434 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.703 ' N ' ' HD3' ' A' ' 65' ' ' PRO . . . -149.41 49.89 0.73 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.472 -0.331 . . . . 11.220000000000001 110.914 179.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.968 ' CG ' ' HB1' ' A' ' 62' ' ' ALA . 39.6 Cg_endo -96.4 -65.71 0.0 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.948 0 C-N-CA 123.411 2.741 . . . . 9.6999999999999993 112.394 -179.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -75.68 -37.93 59.15 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.045 0.45 . . . . 7.96 110.128 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 6.8 mt -144.39 -127.64 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 CA-C-N 115.787 -0.642 . . . . 9.9600000000000009 110.389 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.576 HG21 ' HA ' ' A' ' 73' ' ' THR . 0.1 OUTLIER -160.04 28.87 0.18 Allowed 'General case' 0 C--O 1.231 0.098 0 O-C-N 122.061 -0.4 . . . . 9.4100000000000001 111.149 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.99 -72.83 2.21 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.667 -0.777 . . . . 9.2300000000000004 112.884 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -121.13 117.95 28.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.898 0.38 . . . . 9.9000000000000004 111.493 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.2 mt 65.66 -72.51 0.07 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.995 -0.548 . . . . 11.119999999999999 111.231 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -179.64 -174.84 0.31 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.835 0.35 . . . . 12.33 110.888 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.713 HG23 HG23 ' A' ' 75' ' ' ILE . 9.4 t -63.3 167.6 5.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 12.94 110.915 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -61.07 84.61 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 14.33 112.461 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.713 HG23 HG23 ' A' ' 73' ' ' THR . 1.7 pp -116.24 127.94 73.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.847 0.356 . . . . 15.789999999999999 111.139 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.676 ' HG3' HD13 ' A' ' 81' ' ' LEU . 25.3 mm-40 -98.52 33.02 2.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 17.329999999999998 110.924 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.17 -26.39 64.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 18.41 110.934 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 42.9 pt -73.67 -7.42 9.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.209 -0.451 . . . . 19.210000000000001 111.596 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? 68.21 37.92 2.73 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.838 0.351 . . . . 20.559999999999999 110.87 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.403 ' O ' ' CG ' ' A' ' 80' ' ' HIS . 74.5 t60 -112.01 30.89 6.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 22.129999999999999 110.867 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.676 HD13 ' HG3' ' A' ' 76' ' ' GLU . 7.0 tp -78.46 120.18 22.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 23.68 110.934 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 35.0 m . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.226 -0.892 . . . . 23.989999999999998 111.729 179.991 . . . . . . . . 0 0 . 1 stop_ save_