data_1hy8_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 1hy8 _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 121.277 0.56 . . . . 1.48 109.825 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.23 -28.91 61.46 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.343 -0.848 . . . . 2.2999999999999998 108.727 179.401 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.448 ' HA ' ' CE1' ' A' ' 50' ' ' PHE . 0.7 OUTLIER -63.06 -67.17 0.45 Allowed 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.507 -0.746 . . . . 1.3300000000000001 109.412 179.601 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.408 HD11 HG22 ' A' ' 69' ' ' VAL . 10.2 tp -46.07 -59.43 2.87 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.547 -0.721 . . . . 2.1499999999999999 110.264 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -53.33 -43.61 67.8 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.33 -0.856 . . . . 2.2599999999999998 109.315 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.493 ' CG ' ' CZ ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -58.9 -62.05 2.17 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.326 -0.99 . . . . 2.29 108.326 179.176 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.495 HG23 ' CE2' ' A' ' 50' ' ' PHE . 15.1 t -55.04 -39.12 48.55 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 O-C-N 121.66 -0.65 . . . . 1.23 109.353 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.426 ' CG2' HG22 ' A' ' 12' ' ' VAL . 90.7 m -58.9 -39.97 83.08 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.449 -0.782 . . . . 1.3 109.121 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.53 -38.9 84.88 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 108.387 -0.968 . . . . 2.8300000000000001 108.387 179.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 77.5 mt -71.17 -56.2 11.35 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.413 0 O-C-N 121.538 -0.726 . . . . 1.3600000000000001 109.334 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.461 ' CD1' HG12 ' A' ' 7' ' ' VAL . 53.4 mt -56.82 -65.7 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.218 -0.926 . . . . 1.22 109.528 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.444 ' CG1' ' HA ' ' A' ' 19' ' ' GLU . 77.3 t -46.9 -62.88 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.661 -0.65 . . . . 1.3500000000000001 110.594 -179.12 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -50.56 -26.75 5.63 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.361 -0.837 . . . . 1.9299999999999999 110.351 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -101.11 -87.92 0.38 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.08 -1.013 . . . . 2.25 110.864 -179.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.512 ' CD2' ' N ' ' A' ' 15' ' ' LEU . 3.8 mm? -68.95 -9.85 54.26 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.179 -0.951 . . . . 1.1599999999999999 110.38 -178.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 18' ' ' ASP . . . -70.5 -27.23 72.9 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.63 -1.388 . . . . 0.71999999999999997 109.63 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 87.6 t 59.77 -85.96 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.412 -1.052 . . . . 1.72 109.493 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 16' ' ' GLY . 0.2 OUTLIER -103.26 27.59 7.11 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.097 -1.002 . . . . 2.3799999999999999 109.55 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.444 ' HA ' ' CG1' ' A' ' 12' ' ' VAL . 24.0 mt-10 64.28 75.84 0.37 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.243 -0.911 . . . . 2.7400000000000002 109.661 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 170.07 -42.39 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.287 -0.883 . . . . 1.3200000000000001 109.022 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.437 ' HB3' ' CD1' ' A' ' 32' ' ' LEU . 8.7 m-20 -51.42 -27.74 11.0 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.482 -0.762 . . . . 1.52 109.895 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.421 ' O ' ' CG ' ' A' ' 23' ' ' LYS . 8.1 p -55.16 126.33 12.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.302 -0.874 . . . . 1.54 109.84 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.43 ' HB2' ' CB ' ' A' ' 26' ' ' ALA . 23.5 mttt -155.68 123.77 5.77 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.177 -0.952 . . . . 2.1400000000000001 109.769 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.422 ' HB3' ' HA3' ' A' ' 66' ' ' GLY . 1.5 mp -67.78 -50.84 54.87 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.47 -0.769 . . . . 2.6800000000000002 109.516 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -63.92 -12.21 35.08 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.402 -0.811 . . . . 2.77 110.231 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.433 ' HB1' ' CB ' ' A' ' 31' ' ' ASP . . . -81.94 151.32 27.26 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 120.905 -1.122 . . . . 1.1299999999999999 109.421 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.72 2.45 26.01 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.24 -0.912 . . . . 1.74 109.639 179.463 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.542 ' CE1' ' HB ' ' A' ' 65' ' ' VAL . 3.6 m-85 61.13 47.38 7.25 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.026 -1.046 . . . . 2.1699999999999999 109.498 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -172.43 -45.11 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.186 -0.946 . . . . 2.6600000000000001 109.917 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -109.09 -22.98 11.88 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.196 -0.94 . . . . 2.2799999999999998 109.77 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.433 ' CB ' ' HB1' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -78.1 -67.11 0.76 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.16 -0.963 . . . . 1.5700000000000001 109.775 -179.692 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.437 ' CD1' ' HB3' ' A' ' 21' ' ' ASP . 1.1 pp -98.27 19.8 13.64 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.185 -0.947 . . . . 1.1799999999999999 109.961 -179.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 51.28 81.51 0.05 OUTLIER Glycine 0 N--CA 1.494 2.53 0 N-CA-C 109.889 -1.285 . . . . 0.89000000000000001 109.889 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.433 ' HB3' ' CD1' ' A' ' 15' ' ' LEU . . . -128.55 151.68 49.17 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.304 -1.115 . . . . 1.26 109.517 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -83.73 132.97 34.81 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.201 -0.937 . . . . 2.2400000000000002 109.234 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.17 -30.16 6.46 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.247 -0.908 . . . . 1.97 109.89 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.4 ' O ' ' HB2' ' A' ' 41' ' ' GLU . 0.1 OUTLIER -68.99 -69.23 0.34 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.335 -0.853 . . . . 2.2200000000000002 109.443 179.835 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.21 -35.33 11.65 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.46 -0.775 . . . . 1.8400000000000001 110.085 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.493 HG11 ' CD2' ' A' ' 28' ' ' PHE . 96.1 t -59.62 -75.51 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 O-C-N 121.426 -0.796 . . . . 1.1699999999999999 109.719 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.473 ' CG1' ' CB ' ' A' ' 59' ' ' ALA . 9.7 t -61.67 -26.97 41.2 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 O-C-N 121.272 -0.893 . . . . 1.1399999999999999 109.272 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.4 ' HB2' ' O ' ' A' ' 37' ' ' LEU . 1.8 mt-10 -64.84 -35.62 81.71 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.128 -0.983 . . . . 2.21 108.606 179.277 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.46 ' CD1' HG12 ' A' ' 11' ' ' ILE . 0.5 OUTLIER -71.93 -33.74 68.5 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.723 -0.843 . . . . 1.8600000000000001 108.723 179.518 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.457 ' N ' ' HG ' ' A' ' 42' ' ' LEU . 3.1 t -72.36 -20.09 19.67 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 O-C-N 121.565 -0.709 . . . . 1.0900000000000001 109.235 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.44 ' O ' ' CG ' ' A' ' 47' ' ' GLU . 40.5 mtp -76.68 -47.94 20.49 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 108.103 -1.073 . . . . 2.3199999999999998 108.103 178.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.68 -26.55 67.19 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 106.859 -1.534 . . . . 2.25 106.859 177.477 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.469 ' CD2' ' CD1' ' A' ' 54' ' ' ILE . 0.2 OUTLIER -68.19 -44.61 75.47 Favored 'General case' 0 C--N 1.307 -1.247 0 N-CA-C 108.144 -1.058 . . . . 2.1000000000000001 108.144 178.647 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.461 ' HG3' ' N ' ' A' ' 48' ' ' ASP . 0.0 OUTLIER -59.8 -25.05 64.62 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.41 -0.806 . . . . 1.9399999999999999 109.04 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.461 ' N ' ' HG3' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -82.87 -27.67 30.6 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.348 -0.845 . . . . 1.7 109.464 179.746 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.67 -52.11 48.57 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.217 -0.927 . . . . 2.54 109.548 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.495 ' CE2' HG23 ' A' ' 7' ' ' VAL . 1.5 m-85 -100.25 11.39 39.5 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.33 -0.856 . . . . 2.1400000000000001 109.982 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 57.85 83.28 0.11 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.97 -1.081 . . . . 1.8500000000000001 109.5 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.427 ' CE ' HD12 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -130.69 178.51 6.58 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.327 -0.858 . . . . 1.4299999999999999 109.45 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -113.22 33.71 4.93 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.225 -0.922 . . . . 2.8599999999999999 109.341 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.469 ' CD1' ' CD2' ' A' ' 46' ' ' LEU . 73.5 mt -66.92 115.0 4.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.293 -0.879 . . . . 1.5600000000000001 109.674 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.82 172.82 7.2 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.247 -0.908 . . . . 1.79 109.092 179.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.64 -21.54 18.4 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.134 -0.979 . . . . 2.3300000000000001 109.634 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -78.43 -21.58 48.99 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.145 -0.972 . . . . 1.6499999999999999 109.786 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.407 ' O ' ' HB ' ' A' ' 62' ' ' ILE . 1.3 m-20 -71.32 -77.63 0.09 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.051 -1.031 . . . . 1.46 109.776 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.473 ' CB ' ' CG1' ' A' ' 40' ' ' VAL . . . -44.21 -25.46 0.23 Allowed 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.363 -0.836 . . . . 1.28 111.137 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.43 -47.37 8.82 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.932 -1.105 . . . . 1.97 110.624 -179.372 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.7 ttpt -86.9 -19.23 29.15 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.087 -1.008 . . . . 2.9900000000000002 110.351 -179.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.489 ' CD1' ' N ' ' A' ' 68' ' ' ALA . 12.6 tt -53.93 147.06 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.174 -0.953 . . . . 1.3300000000000001 109.306 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.446 ' O ' ' CG2' ' A' ' 64' ' ' THR . . . -49.77 -37.3 29.3 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.207 -0.933 . . . . 1.4399999999999999 109.521 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.446 ' CG2' ' O ' ' A' ' 63' ' ' ALA . 0.6 OUTLIER -173.77 159.45 3.47 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.634 -0.666 . . . . 1.1799999999999999 109.241 179.542 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.542 ' HB ' ' CE1' ' A' ' 28' ' ' PHE . 25.6 t -48.24 -40.85 10.12 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 N-CA-C 108.674 -0.861 . . . . 1.1000000000000001 108.674 178.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.422 ' HA3' ' HB3' ' A' ' 24' ' ' LEU . . . -57.21 -46.14 91.94 Favored Glycine 0 N--CA 1.486 2.031 0 N-CA-C 108.696 -1.762 . . . . 0.52000000000000002 108.696 179.337 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.428 ' CB ' HG12 ' A' ' 62' ' ' ILE . 0.4 OUTLIER -52.94 -31.9 42.81 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 107.755 -1.202 . . . . 1.78 107.755 178.685 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.489 ' N ' ' CD1' ' A' ' 62' ' ' ILE . . . -61.52 -42.05 98.23 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 107.023 -1.473 . . . . 1.1100000000000001 107.023 178.066 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.447 ' HA ' ' CD1' ' A' ' 72' ' ' ILE . 0.5 OUTLIER -62.65 -45.89 97.72 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 N-CA-C 107.106 -1.442 . . . . 1.25 107.106 178.052 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.457 ' HA ' ' HG2' ' A' ' 73' ' ' GLN . 0.1 OUTLIER -62.3 -27.24 68.89 Favored 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 107.976 -1.12 . . . . 1.8100000000000001 107.976 178.139 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -64.58 -35.88 82.43 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.611 -0.681 . . . . 2.2400000000000002 109.486 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.479 HD12 ' CE2' ' A' ' 50' ' ' PHE . 4.6 mt -71.89 -43.67 68.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.316 -0.865 . . . . 1.3799999999999999 109.82 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.457 ' HG2' ' HA ' ' A' ' 70' ' ' ASN . 0.9 OUTLIER -61.51 -29.93 70.3 Favored 'General case' 0 N--CA 1.498 1.944 0 C-N-CA 119.469 -0.892 . . . . 2.0699999999999998 108.924 -179.248 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -67.08 -22.94 65.81 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.25 -0.906 . . . . 2.2999999999999998 109.44 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -90.15 -25.24 20.78 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.255 -0.903 . . . . 2.9399999999999999 109.337 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 . . . . . 0 N--CA 1.489 1.496 0 CA-C-O 117.979 -1.01 . . . . 2.3599999999999999 109.411 179.842 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 121.277 0.56 . . . . 0.91000000000000003 109.825 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.23 -28.91 61.46 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.343 -0.848 . . . . 2.2999999999999998 108.727 179.401 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.546 HG23 HG21 ' A' ' 72' ' ' ILE . 0.7 OUTLIER -63.06 -67.17 0.45 Allowed 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.507 -0.746 . . . . 0.85999999999999999 109.412 179.601 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.561 HD12 HG21 ' A' ' 69' ' ' VAL . 10.2 tp -46.07 -59.43 2.87 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.547 -0.721 . . . . 1.6000000000000001 110.264 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -53.33 -43.61 67.8 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.33 -0.856 . . . . 2.2599999999999998 109.315 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.493 ' CG ' ' CZ ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -58.9 -62.05 2.17 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.326 -0.99 . . . . 1.79 108.326 179.176 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.734 HG22 HD12 ' A' ' 46' ' ' LEU . 15.1 t -55.04 -39.12 48.55 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 O-C-N 121.66 -0.65 . . . . 0.60999999999999999 109.353 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.7 m -58.9 -39.97 83.08 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.449 -0.782 . . . . 0.65000000000000002 109.121 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.53 -38.9 84.88 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 108.387 -0.968 . . . . 2.3100000000000001 108.387 179.303 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.641 HD11 ' HG2' ' A' ' 49' ' ' GLU . 77.5 mt -71.17 -56.2 11.35 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.413 0 O-C-N 121.538 -0.726 . . . . 0.72999999999999998 109.334 179.45 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.9 HG21 HG23 ' A' ' 22' ' ' VAL . 53.4 mt -56.82 -65.7 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.218 -0.926 . . . . 0.42999999999999999 109.528 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.708 HG13 ' HA ' ' A' ' 19' ' ' GLU . 77.3 t -46.9 -62.88 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.661 -0.65 . . . . 0.60999999999999999 110.594 -179.12 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -50.56 -26.75 5.63 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.361 -0.837 . . . . 1.9299999999999999 110.351 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -101.11 -87.92 0.38 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.08 -1.013 . . . . 1.6899999999999999 110.864 -179.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.883 HD12 ' HB1' ' A' ' 34' ' ' ALA . 3.8 mm? -68.95 -9.85 54.26 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.179 -0.951 . . . . 0.45000000000000001 110.38 -178.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.449 ' HA3' ' HA ' ' A' ' 12' ' ' VAL . . . -70.5 -27.23 72.9 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.63 -1.388 . . . . 0.71999999999999997 109.63 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 87.6 t 59.77 -85.96 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.412 -1.052 . . . . 1.1599999999999999 109.493 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 16' ' ' GLY . 0.2 OUTLIER -103.26 27.59 7.11 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.097 -1.002 . . . . 2.3799999999999999 109.55 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.708 ' HA ' HG13 ' A' ' 12' ' ' VAL . 24.0 mt-10 64.28 75.84 0.37 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.243 -0.911 . . . . 2.7400000000000002 109.661 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.571 ' HB2' ' O ' ' A' ' 19' ' ' GLU . . . 170.07 -42.39 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.287 -0.883 . . . . 0.70999999999999996 109.022 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.823 ' O ' HD22 ' A' ' 32' ' ' LEU . 8.7 m-20 -51.42 -27.74 11.0 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.482 -0.762 . . . . 1.52 109.895 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.9 HG23 HG21 ' A' ' 11' ' ' ILE . 8.1 p -55.16 126.33 12.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.302 -0.874 . . . . 0.90000000000000002 109.84 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.453 ' HB2' ' CB ' ' A' ' 26' ' ' ALA . 23.5 mttt -155.68 123.77 5.77 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.177 -0.952 . . . . 1.6499999999999999 109.769 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.872 HD23 ' CA ' ' A' ' 66' ' ' GLY . 1.5 mp -67.78 -50.84 54.87 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.47 -0.769 . . . . 2.1000000000000001 109.516 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -63.92 -12.21 35.08 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.402 -0.811 . . . . 2.77 110.231 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.576 ' HB1' ' CB ' ' A' ' 31' ' ' ASP . . . -81.94 151.32 27.26 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 120.905 -1.122 . . . . 0.59999999999999998 109.421 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.72 2.45 26.01 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.24 -0.912 . . . . 1.3300000000000001 109.639 179.463 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.76 ' CD2' HG21 ' A' ' 65' ' ' VAL . 3.6 m-85 61.13 47.38 7.25 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.026 -1.046 . . . . 1.29 109.498 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -172.43 -45.11 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.186 -0.946 . . . . 2.1600000000000001 109.917 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -109.09 -22.98 11.88 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.196 -0.94 . . . . 2.2799999999999998 109.77 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.576 ' CB ' ' HB1' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -78.1 -67.11 0.76 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.16 -0.963 . . . . 1.5700000000000001 109.775 -179.692 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.823 HD22 ' O ' ' A' ' 21' ' ' ASP . 1.1 pp -98.27 19.8 13.64 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.185 -0.947 . . . . 0.68999999999999995 109.961 -179.67 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 51.28 81.51 0.05 OUTLIER Glycine 0 N--CA 1.494 2.53 0 N-CA-C 109.889 -1.285 . . . . 0.89000000000000001 109.889 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.883 ' HB1' HD12 ' A' ' 15' ' ' LEU . . . -128.55 151.68 49.17 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.304 -1.115 . . . . 1.25 109.517 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.66 ' O ' HG23 ' A' ' 39' ' ' VAL . 1.3 m-20 -83.73 132.97 34.81 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.201 -0.937 . . . . 2.2400000000000002 109.234 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.17 -30.16 6.46 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.247 -0.908 . . . . 1.6899999999999999 109.89 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.99 -69.23 0.34 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.335 -0.853 . . . . 1.6000000000000001 109.443 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.21 -35.33 11.65 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.46 -0.775 . . . . 1.8400000000000001 110.085 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 35' ' ' ASP . 96.1 t -59.62 -75.51 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 O-C-N 121.426 -0.796 . . . . 0.44 109.719 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.978 HG13 ' CB ' ' A' ' 59' ' ' ALA . 9.7 t -61.67 -26.97 41.2 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 O-C-N 121.272 -0.893 . . . . 0.39000000000000001 109.272 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -64.84 -35.62 81.71 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.128 -0.983 . . . . 2.21 108.606 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.595 HD22 HD23 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -71.93 -33.74 68.5 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.723 -0.843 . . . . 1.3899999999999999 108.723 179.518 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 39' ' ' VAL . 3.1 t -72.36 -20.09 19.67 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 O-C-N 121.565 -0.709 . . . . 0.46000000000000002 109.235 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.44 ' O ' ' CG ' ' A' ' 47' ' ' GLU . 40.5 mtp -76.68 -47.94 20.49 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 108.103 -1.073 . . . . 1.8100000000000001 108.103 178.754 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.68 -26.55 67.19 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 106.859 -1.534 . . . . 2.25 106.859 177.477 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.928 HD11 HD11 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -68.19 -44.61 75.47 Favored 'General case' 0 C--N 1.307 -1.247 0 N-CA-C 108.144 -1.058 . . . . 1.49 108.144 178.647 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.468 ' HG3' ' N ' ' A' ' 48' ' ' ASP . 0.0 OUTLIER -59.8 -25.05 64.62 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.41 -0.806 . . . . 1.9399999999999999 109.04 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.468 ' N ' ' HG3' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -82.87 -27.67 30.6 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.348 -0.845 . . . . 1.7 109.464 179.746 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.641 ' HG2' HD11 ' A' ' 10' ' ' ILE . 0.4 OUTLIER -66.67 -52.11 48.57 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.217 -0.927 . . . . 2.54 109.548 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.493 ' CZ ' ' CG ' ' A' ' 6' ' ' ARG . 1.5 m-85 -100.25 11.39 39.5 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.33 -0.856 . . . . 1.3100000000000001 109.982 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 57.85 83.28 0.11 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.97 -1.081 . . . . 1.8500000000000001 109.5 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.452 ' CE ' HD11 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -130.69 178.51 6.58 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.327 -0.858 . . . . 1.4199999999999999 109.45 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -113.22 33.71 4.93 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.225 -0.922 . . . . 2.8599999999999999 109.341 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.694 HD12 HD23 ' A' ' 46' ' ' LEU . 73.5 mt -66.92 115.0 4.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.293 -0.879 . . . . 1.5600000000000001 109.674 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.406 ' HB3' ' HG2' ' A' ' 57' ' ' GLU . 0.4 OUTLIER -98.82 172.82 7.2 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.247 -0.908 . . . . 1.5600000000000001 109.092 179.576 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.64 -21.54 18.4 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.134 -0.979 . . . . 2.3300000000000001 109.634 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.406 ' HG2' ' HB3' ' A' ' 55' ' ' SER . 6.8 pt-20 -78.43 -21.58 48.99 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.145 -0.972 . . . . 1.6499999999999999 109.786 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.666 ' CB ' HG23 ' A' ' 54' ' ' ILE . 1.3 m-20 -71.32 -77.63 0.09 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.051 -1.031 . . . . 1.46 109.776 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.978 ' CB ' HG13 ' A' ' 40' ' ' VAL . . . -44.21 -25.46 0.23 Allowed 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.363 -0.836 . . . . 0.54000000000000004 111.137 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.43 -47.37 8.82 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.932 -1.105 . . . . 1.97 110.624 -179.372 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.7 ttpt -86.9 -19.23 29.15 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.087 -1.008 . . . . 2.6200000000000001 110.351 -179.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.498 HD11 ' N ' ' A' ' 68' ' ' ALA . 12.6 tt -53.93 147.06 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.174 -0.953 . . . . 1.3200000000000001 109.306 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.819 ' O ' HG23 ' A' ' 64' ' ' THR . . . -49.77 -37.3 29.3 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.207 -0.933 . . . . 1.3300000000000001 109.521 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.819 HG23 ' O ' ' A' ' 63' ' ' ALA . 0.6 OUTLIER -173.77 159.45 3.47 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.634 -0.666 . . . . 0.63 109.241 179.542 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.76 HG21 ' CD2' ' A' ' 28' ' ' PHE . 25.6 t -48.24 -40.85 10.12 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 N-CA-C 108.674 -0.861 . . . . 0.38 108.674 178.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.872 ' CA ' HD23 ' A' ' 24' ' ' LEU . . . -57.21 -46.14 91.94 Favored Glycine 0 N--CA 1.486 2.031 0 N-CA-C 108.696 -1.762 . . . . 0.5 108.696 179.337 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.482 ' CG ' ' HB3' ' A' ' 63' ' ' ALA . 0.4 OUTLIER -52.94 -31.9 42.81 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 107.755 -1.202 . . . . 1.78 107.755 178.685 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.643 ' HB3' ' O ' ' A' ' 65' ' ' VAL . . . -61.52 -42.05 98.23 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 107.023 -1.473 . . . . 0.48999999999999999 107.023 178.066 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.741 ' HA ' HD12 ' A' ' 72' ' ' ILE . 0.5 OUTLIER -62.65 -45.89 97.72 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 N-CA-C 107.106 -1.442 . . . . 0.62 107.106 178.052 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.479 ' HA ' ' HG2' ' A' ' 73' ' ' GLN . 0.1 OUTLIER -62.3 -27.24 68.89 Favored 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 107.976 -1.12 . . . . 1.73 107.976 178.139 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -64.58 -35.88 82.43 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.611 -0.681 . . . . 1.3899999999999999 109.486 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.928 HD11 HD11 ' A' ' 46' ' ' LEU . 4.6 mt -71.89 -43.67 68.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.316 -0.865 . . . . 0.85999999999999999 109.82 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.479 ' HG2' ' HA ' ' A' ' 70' ' ' ASN . 0.9 OUTLIER -61.51 -29.93 70.3 Favored 'General case' 0 N--CA 1.498 1.944 0 C-N-CA 119.469 -0.892 . . . . 2.0699999999999998 108.924 -179.248 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -67.08 -22.94 65.81 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.25 -0.906 . . . . 1.8999999999999999 109.44 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -90.15 -25.24 20.78 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.255 -0.903 . . . . 2.5499999999999998 109.337 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 . . . . . 0 N--CA 1.489 1.496 0 CA-C-O 117.979 -1.01 . . . . 2.3599999999999999 109.411 179.842 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 121.277 0.56 . . . . 0.91000000000000003 109.825 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.23 -28.91 61.46 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.343 -0.848 . . . . 2.2999999999999998 108.727 179.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.546 HG23 HG21 ' A' ' 72' ' ' ILE . 0.7 OUTLIER -63.06 -67.17 0.45 Allowed 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.507 -0.746 . . . . 0.85999999999999999 109.412 179.601 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.561 HD12 HG21 ' A' ' 69' ' ' VAL . 10.2 tp -46.07 -59.43 2.87 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.547 -0.721 . . . . 1.6000000000000001 110.264 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -53.33 -43.61 67.8 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.33 -0.856 . . . . 2.2599999999999998 109.315 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.493 ' CG ' ' CZ ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -58.9 -62.05 2.17 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.326 -0.99 . . . . 1.79 108.326 179.176 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.734 HG22 HD12 ' A' ' 46' ' ' LEU . 15.1 t -55.04 -39.12 48.55 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 O-C-N 121.66 -0.65 . . . . 0.60999999999999999 109.353 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.7 m -58.9 -39.97 83.08 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.449 -0.782 . . . . 0.65000000000000002 109.121 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.53 -38.9 84.88 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 108.387 -0.968 . . . . 2.3100000000000001 108.387 179.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.641 HD11 ' HG2' ' A' ' 49' ' ' GLU . 77.5 mt -71.17 -56.2 11.35 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.413 0 O-C-N 121.538 -0.726 . . . . 0.72999999999999998 109.334 179.45 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.9 HG21 HG23 ' A' ' 22' ' ' VAL . 53.4 mt -56.82 -65.7 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.218 -0.926 . . . . 0.42999999999999999 109.528 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.708 HG13 ' HA ' ' A' ' 19' ' ' GLU . 77.3 t -46.9 -62.88 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.661 -0.65 . . . . 0.60999999999999999 110.594 -179.12 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -50.56 -26.75 5.63 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.361 -0.837 . . . . 1.9299999999999999 110.351 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -101.11 -87.92 0.38 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.08 -1.013 . . . . 1.6899999999999999 110.864 -179.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.883 HD12 ' HB1' ' A' ' 34' ' ' ALA . 3.8 mm? -68.95 -9.85 54.26 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.179 -0.951 . . . . 0.45000000000000001 110.38 -178.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.449 ' HA3' ' HA ' ' A' ' 12' ' ' VAL . . . -70.5 -27.23 72.9 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.63 -1.388 . . . . 0.71999999999999997 109.63 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 87.6 t 59.77 -85.96 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.412 -1.052 . . . . 1.1599999999999999 109.493 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 16' ' ' GLY . 0.2 OUTLIER -103.26 27.59 7.11 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.097 -1.002 . . . . 2.3799999999999999 109.55 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.708 ' HA ' HG13 ' A' ' 12' ' ' VAL . 24.0 mt-10 64.28 75.84 0.37 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.243 -0.911 . . . . 2.7400000000000002 109.661 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.571 ' HB2' ' O ' ' A' ' 19' ' ' GLU . . . 170.07 -42.39 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.287 -0.883 . . . . 0.70999999999999996 109.022 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.823 ' O ' HD22 ' A' ' 32' ' ' LEU . 8.7 m-20 -51.42 -27.74 11.0 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.482 -0.762 . . . . 1.52 109.895 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.9 HG23 HG21 ' A' ' 11' ' ' ILE . 8.1 p -55.16 126.33 12.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.302 -0.874 . . . . 0.90000000000000002 109.84 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.453 ' HB2' ' CB ' ' A' ' 26' ' ' ALA . 23.5 mttt -155.68 123.77 5.77 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.177 -0.952 . . . . 1.6499999999999999 109.769 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.872 HD23 ' CA ' ' A' ' 66' ' ' GLY . 1.5 mp -67.78 -50.84 54.87 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.47 -0.769 . . . . 2.1000000000000001 109.516 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -63.92 -12.21 35.08 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.402 -0.811 . . . . 2.77 110.231 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.576 ' HB1' ' CB ' ' A' ' 31' ' ' ASP . . . -81.94 151.32 27.26 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 120.905 -1.122 . . . . 0.59999999999999998 109.421 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.72 2.45 26.01 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.24 -0.912 . . . . 1.3300000000000001 109.639 179.463 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.76 ' CD2' HG21 ' A' ' 65' ' ' VAL . 3.6 m-85 61.13 47.38 7.25 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.026 -1.046 . . . . 1.29 109.498 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -172.43 -45.11 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.186 -0.946 . . . . 2.1600000000000001 109.917 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -109.09 -22.98 11.88 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.196 -0.94 . . . . 2.2799999999999998 109.77 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.576 ' CB ' ' HB1' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -78.1 -67.11 0.76 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.16 -0.963 . . . . 1.5700000000000001 109.775 -179.692 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.823 HD22 ' O ' ' A' ' 21' ' ' ASP . 1.1 pp -98.27 19.8 13.64 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.185 -0.947 . . . . 0.68999999999999995 109.961 -179.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 51.28 81.51 0.05 OUTLIER Glycine 0 N--CA 1.494 2.53 0 N-CA-C 109.889 -1.285 . . . . 0.89000000000000001 109.889 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.883 ' HB1' HD12 ' A' ' 15' ' ' LEU . . . -128.55 151.68 49.17 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.304 -1.115 . . . . 1.25 109.517 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.66 ' O ' HG23 ' A' ' 39' ' ' VAL . 1.3 m-20 -83.73 132.97 34.81 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.201 -0.937 . . . . 2.2400000000000002 109.234 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.17 -30.16 6.46 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.247 -0.908 . . . . 1.6899999999999999 109.89 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.99 -69.23 0.34 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.335 -0.853 . . . . 1.6000000000000001 109.443 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.21 -35.33 11.65 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.46 -0.775 . . . . 1.8400000000000001 110.085 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 35' ' ' ASP . 96.1 t -59.62 -75.51 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 O-C-N 121.426 -0.796 . . . . 0.44 109.719 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.978 HG13 ' CB ' ' A' ' 59' ' ' ALA . 9.7 t -61.67 -26.97 41.2 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 O-C-N 121.272 -0.893 . . . . 0.39000000000000001 109.272 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -64.84 -35.62 81.71 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.128 -0.983 . . . . 2.21 108.606 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.595 HD22 HD23 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -71.93 -33.74 68.5 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.723 -0.843 . . . . 1.3899999999999999 108.723 179.518 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 39' ' ' VAL . 3.1 t -72.36 -20.09 19.67 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 O-C-N 121.565 -0.709 . . . . 0.46000000000000002 109.235 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.44 ' O ' ' CG ' ' A' ' 47' ' ' GLU . 40.5 mtp -76.68 -47.94 20.49 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 108.103 -1.073 . . . . 1.8100000000000001 108.103 178.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.68 -26.55 67.19 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 106.859 -1.534 . . . . 2.25 106.859 177.477 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.928 HD11 HD11 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -68.19 -44.61 75.47 Favored 'General case' 0 C--N 1.307 -1.247 0 N-CA-C 108.144 -1.058 . . . . 1.49 108.144 178.647 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.468 ' HG3' ' N ' ' A' ' 48' ' ' ASP . 0.0 OUTLIER -59.8 -25.05 64.62 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.41 -0.806 . . . . 1.9399999999999999 109.04 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.468 ' N ' ' HG3' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -82.87 -27.67 30.6 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.348 -0.845 . . . . 1.7 109.464 179.746 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.641 ' HG2' HD11 ' A' ' 10' ' ' ILE . 0.4 OUTLIER -66.67 -52.11 48.57 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.217 -0.927 . . . . 2.54 109.548 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.493 ' CZ ' ' CG ' ' A' ' 6' ' ' ARG . 1.5 m-85 -100.25 11.39 39.5 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.33 -0.856 . . . . 1.3100000000000001 109.982 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 57.85 83.28 0.11 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.97 -1.081 . . . . 1.8500000000000001 109.5 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.452 ' CE ' HD11 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -130.69 178.51 6.58 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.327 -0.858 . . . . 1.4199999999999999 109.45 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -113.22 33.71 4.93 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.225 -0.922 . . . . 2.8599999999999999 109.341 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.694 HD12 HD23 ' A' ' 46' ' ' LEU . 73.5 mt -66.92 115.0 4.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.293 -0.879 . . . . 1.5600000000000001 109.674 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.406 ' HB3' ' HG2' ' A' ' 57' ' ' GLU . 0.4 OUTLIER -98.82 172.82 7.2 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.247 -0.908 . . . . 1.5600000000000001 109.092 179.576 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.64 -21.54 18.4 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.134 -0.979 . . . . 2.3300000000000001 109.634 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.406 ' HG2' ' HB3' ' A' ' 55' ' ' SER . 6.8 pt-20 -78.43 -21.58 48.99 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.145 -0.972 . . . . 1.6499999999999999 109.786 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.666 ' CB ' HG23 ' A' ' 54' ' ' ILE . 1.3 m-20 -71.32 -77.63 0.09 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.051 -1.031 . . . . 1.46 109.776 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.978 ' CB ' HG13 ' A' ' 40' ' ' VAL . . . -44.21 -25.46 0.23 Allowed 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.363 -0.836 . . . . 0.54000000000000004 111.137 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.43 -47.37 8.82 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.932 -1.105 . . . . 1.97 110.624 -179.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.7 ttpt -86.9 -19.23 29.15 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.087 -1.008 . . . . 2.6200000000000001 110.351 -179.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.498 HD11 ' N ' ' A' ' 68' ' ' ALA . 12.6 tt -53.93 147.06 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.174 -0.953 . . . . 1.3200000000000001 109.306 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.819 ' O ' HG23 ' A' ' 64' ' ' THR . . . -49.77 -37.3 29.3 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.207 -0.933 . . . . 1.3300000000000001 109.521 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.819 HG23 ' O ' ' A' ' 63' ' ' ALA . 0.6 OUTLIER -173.77 159.45 3.47 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.634 -0.666 . . . . 0.63 109.241 179.542 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.76 HG21 ' CD2' ' A' ' 28' ' ' PHE . 25.6 t -48.24 -40.85 10.12 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 N-CA-C 108.674 -0.861 . . . . 0.38 108.674 178.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.872 ' CA ' HD23 ' A' ' 24' ' ' LEU . . . -57.21 -46.14 91.94 Favored Glycine 0 N--CA 1.486 2.031 0 N-CA-C 108.696 -1.762 . . . . 0.5 108.696 179.337 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.482 ' CG ' ' HB3' ' A' ' 63' ' ' ALA . 0.4 OUTLIER -52.94 -31.9 42.81 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 107.755 -1.202 . . . . 1.78 107.755 178.685 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.643 ' HB3' ' O ' ' A' ' 65' ' ' VAL . . . -61.52 -42.05 98.23 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 107.023 -1.473 . . . . 0.48999999999999999 107.023 178.066 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.741 ' HA ' HD12 ' A' ' 72' ' ' ILE . 0.5 OUTLIER -62.65 -45.89 97.72 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 N-CA-C 107.106 -1.442 . . . . 0.62 107.106 178.052 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.479 ' HA ' ' HG2' ' A' ' 73' ' ' GLN . 0.1 OUTLIER -62.3 -27.24 68.89 Favored 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 107.976 -1.12 . . . . 1.73 107.976 178.139 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -64.58 -35.88 82.43 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.611 -0.681 . . . . 1.3899999999999999 109.486 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.928 HD11 HD11 ' A' ' 46' ' ' LEU . 4.6 mt -71.89 -43.67 68.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.316 -0.865 . . . . 0.85999999999999999 109.82 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.479 ' HG2' ' HA ' ' A' ' 70' ' ' ASN . 0.9 OUTLIER -61.51 -29.93 70.3 Favored 'General case' 0 N--CA 1.498 1.944 0 C-N-CA 119.469 -0.892 . . . . 2.0699999999999998 108.924 -179.248 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -67.08 -22.94 65.81 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.25 -0.906 . . . . 1.8999999999999999 109.44 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -90.15 -25.24 20.78 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.255 -0.903 . . . . 2.5499999999999998 109.337 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 . . . . . 0 N--CA 1.489 1.496 0 CA-C-O 117.979 -1.01 . . . . 2.3599999999999999 109.411 179.842 . . . . . . . . 0 0 . 1 stop_ save_