data_1fjk_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 1fjk _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' ' ' MET . . . . . . . . . . . . . 24.1 ptt? . . . . . 0 N--CA 1.485 1.279 0 CA-C-O 121.932 0.873 . . . . 0.0 110.507 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -164.55 -39.83 0.03 OUTLIER 'General case' 0 C--N 1.294 -1.819 0 CA-C-O 121.31 0.576 . . . . 0.0 109.882 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.419 ' HG3' ' N ' ' A' ' 4' ' ' VAL . 64.4 pttt -110.29 -35.45 6.07 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.32 -0.863 . . . . 0.0 109.877 179.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.419 ' N ' ' HG3' ' A' ' 3' ' ' LYS . 8.1 p -64.51 -12.72 13.02 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 O-C-N 121.113 -0.992 . . . . 0.0 109.833 179.094 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.475 ' HG3' ' N ' ' A' ' 6' ' ' TYR . 3.0 pt20 -75.2 -45.83 37.94 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.068 -1.02 . . . . 0.0 111.182 -179.503 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.524 ' CE1' ' HG ' ' A' ' 7' ' ' LEU . 11.3 p90 -87.13 -34.19 19.17 Favored 'General case' 0 N--CA 1.485 1.313 0 O-C-N 120.703 -1.248 . . . . 0.0 109.144 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.524 ' HG ' ' CE1' ' A' ' 6' ' ' TYR . 83.2 mt -57.92 -40.57 80.73 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.106 -0.996 . . . . 0.0 109.618 178.442 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 84.7 m -70.54 -41.64 72.25 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.242 -0.911 . . . . 0.0 110.189 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 49.7 ttt-85 -52.67 -42.34 64.64 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.33 -0.856 . . . . 0.0 110.06 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 80.5 p -85.47 -8.77 58.19 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.399 -0.813 . . . . 0.0 110.586 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.36 -31.07 48.33 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 120.993 -1.067 . . . . 0.0 110.957 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.534 ' N ' ' CD1' ' A' ' 12' ' ' ILE . 2.4 mp -112.85 -39.53 3.26 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 O-C-N 121.007 -1.058 . . . . 0.0 110.755 -179.296 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.405 ' O ' ' HB ' ' A' ' 17' ' ' THR . 18.7 mmt85 -65.27 -45.62 83.75 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.951 -1.093 . . . . 0.0 110.481 -179.366 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.537 ' CZ ' ' HB3' ' A' ' 14' ' ' ARG . 2.3 mtp-105 -91.45 27.32 2.0 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 120.984 -1.073 . . . . 0.0 110.326 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -145.82 -40.01 0.23 Allowed 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.298 -0.876 . . . . 0.0 109.897 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.402 ' HB2' ' O ' ' A' ' 12' ' ' ILE . 72.9 m -97.53 1.55 49.11 Favored 'General case' 0 C--N 1.306 -1.294 0 O-C-N 121.315 -0.866 . . . . 0.0 111.683 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.405 ' HB ' ' O ' ' A' ' 13' ' ' ARG . 88.1 m -124.69 -12.26 7.16 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.047 -1.033 . . . . 0.0 110.569 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 7.4 tp -110.31 -19.62 6.78 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.348 0 O-C-N 121.038 -1.039 . . . . 0.0 109.861 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -102.99 -20.08 14.34 Favored 'General case' 0 N--CA 1.485 1.29 0 O-C-N 121.146 -0.971 . . . . 0.0 110.53 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.4 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 24.6 ptm -144.28 55.49 3.41 Favored Pre-proline 0 N--CA 1.49 1.57 0 O-C-N 121.27 -0.894 . . . . 0.0 110.349 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.4 ' CD ' ' N ' ' A' ' 20' ' ' MET . 44.0 Cg_endo -71.47 -29.12 16.98 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 O-C-N 123.666 1.35 . . . . 0.0 110.022 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -85.99 -32.71 21.36 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.339 -0.851 . . . . 0.0 110.049 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.414 ' HA ' ' OE1' ' A' ' 23' ' ' GLN . 4.3 tp-100 -82.23 -48.02 11.76 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 121.273 -0.892 . . . . 0.0 109.91 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.06 -43.9 67.04 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.372 -0.83 . . . . 0.0 109.98 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -58.47 -45.22 89.09 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.23 -0.919 . . . . 0.0 110.031 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -69.41 -45.13 69.95 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.336 -0.853 . . . . 0.0 110.049 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -58.66 -41.89 87.14 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.45 -0.781 . . . . 0.0 110.576 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.1 tp -51.41 -25.07 5.62 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.177 -0.952 . . . . 0.0 110.348 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -54.58 -29.14 50.48 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.364 -0.835 . . . . 0.0 110.589 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -59.71 -30.66 68.96 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.127 -0.983 . . . . 0.0 110.607 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 60.1 tp -63.72 -28.92 70.22 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.099 -1.001 . . . . 0.0 110.226 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -73.73 -53.17 10.97 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.387 -0.821 . . . . 0.0 110.866 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.44 ' CD1' ' C ' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -62.67 -37.44 79.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.155 -0.966 . . . . 0.0 110.14 -179.405 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.433 ' N ' HG22 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -63.58 -54.5 35.07 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.951 -1.093 . . . . 0.0 110.054 -179.762 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -59.46 -46.11 89.69 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.284 -0.885 . . . . 0.0 110.141 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 47.6 t -58.91 -39.73 82.4 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.104 -0.998 . . . . 0.0 109.57 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.482 HD23 ' CE1' ' A' ' 41' ' ' PHE . 2.5 tm? -63.5 -55.17 26.16 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.427 -0.796 . . . . 0.0 109.111 179.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 8.1 tp -67.83 -23.57 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.397 -0.814 . . . . 0.0 110.687 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.407 ' HA ' HD21 ' A' ' 42' ' ' LEU . 53.1 tp -79.79 -32.51 40.85 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.275 -0.891 . . . . 0.0 111.568 -178.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.409 HD13 HG23 ' A' ' 40' ' ' ILE . 61.7 mt -96.41 -28.03 3.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 120.96 -1.087 . . . . 0.0 111.733 -178.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.482 ' CE1' HD23 ' A' ' 37' ' ' LEU . 9.9 m-85 -82.54 -24.62 33.97 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.018 -1.051 . . . . 0.0 110.933 -179.406 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.442 HD13 ' N ' ' A' ' 43' ' ' LEU . 3.7 pp -59.88 -21.14 60.62 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.903 -1.123 . . . . 0.0 109.839 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.442 ' N ' HD13 ' A' ' 42' ' ' LEU . 62.5 tp -88.73 -37.82 15.2 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.301 -0.874 . . . . 0.0 110.455 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 87.3 mt -65.17 -45.37 85.16 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.31 -0.869 . . . . 0.0 110.883 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 29.9 pt -55.06 -20.75 6.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.136 -0.977 . . . . 0.0 110.796 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 53.5 t -82.36 -26.49 32.87 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.178 -0.951 . . . . 0.0 110.853 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 46.0 mm -61.97 -40.91 88.94 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 O-C-N 121.176 -0.953 . . . . 0.0 111.267 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.42 HG13 ' N ' ' A' ' 49' ' ' VAL . 28.6 pt -79.09 -35.01 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.124 -0.985 . . . . 0.0 111.056 -179.024 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.42 ' N ' HG13 ' A' ' 48' ' ' ILE . 63.8 t -72.57 -31.42 37.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.134 -0.979 . . . . 0.0 110.724 -179.528 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 26.3 mmt -83.5 -1.93 54.79 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.149 -0.969 . . . . 0.0 111.228 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.8 mt -119.86 -38.74 2.92 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.976 -1.077 . . . . 0.0 110.345 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 84.1 mt . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.215 -179.974 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.1 ptt? . . . . . 0 N--CA 1.485 1.279 0 CA-C-O 121.932 0.873 . . . . 0.0 110.507 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -164.55 -39.83 0.03 OUTLIER 'General case' 0 C--N 1.294 -1.819 0 CA-C-O 121.31 0.576 . . . . 0.0 109.882 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.436 ' HG3' ' N ' ' A' ' 4' ' ' VAL . 64.4 pttt -110.29 -35.45 6.07 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.32 -0.863 . . . . 0.0 109.877 179.718 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.436 ' N ' ' HG3' ' A' ' 3' ' ' LYS . 8.1 p -64.51 -12.72 13.02 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 O-C-N 121.113 -0.992 . . . . 0.0 109.833 179.094 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.499 ' HG3' ' N ' ' A' ' 6' ' ' TYR . 3.0 pt20 -75.2 -45.83 37.94 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.068 -1.02 . . . . 0.0 111.182 -179.503 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.537 ' CE1' ' HG ' ' A' ' 7' ' ' LEU . 11.3 p90 -87.13 -34.19 19.17 Favored 'General case' 0 N--CA 1.485 1.313 0 O-C-N 120.703 -1.248 . . . . 0.0 109.144 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.537 ' HG ' ' CE1' ' A' ' 6' ' ' TYR . 83.2 mt -57.92 -40.57 80.73 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.106 -0.996 . . . . 0.0 109.618 178.442 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 84.7 m -70.54 -41.64 72.25 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.242 -0.911 . . . . 0.0 110.189 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 49.7 ttt-85 -52.67 -42.34 64.64 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.33 -0.856 . . . . 0.0 110.06 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 80.5 p -85.47 -8.77 58.19 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.399 -0.813 . . . . 0.0 110.586 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.702 ' C ' HD12 ' A' ' 12' ' ' ILE . . . -78.36 -31.07 48.33 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 120.993 -1.067 . . . . 0.0 110.957 -179.429 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.76 ' N ' HD12 ' A' ' 12' ' ' ILE . 2.4 mp -112.85 -39.53 3.26 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 O-C-N 121.007 -1.058 . . . . 0.0 110.755 -179.296 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.417 ' O ' ' HB ' ' A' ' 17' ' ' THR . 18.7 mmt85 -65.27 -45.62 83.75 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.951 -1.093 . . . . 0.0 110.481 -179.366 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.555 ' HB3' ' CZ ' ' A' ' 14' ' ' ARG . 2.3 mtp-105 -91.45 27.32 2.0 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 120.984 -1.073 . . . . 0.0 110.326 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -145.82 -40.01 0.23 Allowed 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.298 -0.876 . . . . 0.0 109.897 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 72.9 m -97.53 1.55 49.11 Favored 'General case' 0 C--N 1.306 -1.294 0 O-C-N 121.315 -0.866 . . . . 0.0 111.683 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.417 ' HB ' ' O ' ' A' ' 13' ' ' ARG . 88.1 m -124.69 -12.26 7.16 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.047 -1.033 . . . . 0.0 110.569 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.718 HG23 ' HG2' ' A' ' 19' ' ' GLU . 7.4 tp -110.31 -19.62 6.78 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.348 0 O-C-N 121.038 -1.039 . . . . 0.0 109.861 179.248 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.718 ' HG2' HG23 ' A' ' 18' ' ' ILE . 67.5 mm-40 -102.99 -20.08 14.34 Favored 'General case' 0 N--CA 1.485 1.29 0 O-C-N 121.146 -0.971 . . . . 0.0 110.53 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.4 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 24.6 ptm -144.28 55.49 3.41 Favored Pre-proline 0 N--CA 1.49 1.57 0 O-C-N 121.27 -0.894 . . . . 0.0 110.349 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.4 ' CD ' ' N ' ' A' ' 20' ' ' MET . 44.0 Cg_endo -71.47 -29.12 16.98 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 O-C-N 123.666 1.35 . . . . 0.0 110.022 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.413 ' O ' ' HG2' ' A' ' 26' ' ' GLN . 85.3 mt-30 -85.99 -32.71 21.36 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.339 -0.851 . . . . 0.0 110.049 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.447 ' HA ' ' OE1' ' A' ' 23' ' ' GLN . 4.3 tp-100 -82.23 -48.02 11.76 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 121.273 -0.892 . . . . 0.0 109.91 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.06 -43.9 67.04 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.372 -0.83 . . . . 0.0 109.98 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -58.47 -45.22 89.09 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.23 -0.919 . . . . 0.0 110.031 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 22' ' ' GLN . 97.1 mm-40 -69.41 -45.13 69.95 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.336 -0.853 . . . . 0.0 110.049 179.7 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -58.66 -41.89 87.14 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.45 -0.781 . . . . 0.0 110.576 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.1 tp -51.41 -25.07 5.62 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.177 -0.952 . . . . 0.0 110.348 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -54.58 -29.14 50.48 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.364 -0.835 . . . . 0.0 110.589 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.409 ' O ' HG22 ' A' ' 33' ' ' ILE . 49.6 m-20 -59.71 -30.66 68.96 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.127 -0.983 . . . . 0.0 110.607 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 60.1 tp -63.72 -28.92 70.22 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.099 -1.001 . . . . 0.0 110.226 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -73.73 -53.17 10.97 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.387 -0.821 . . . . 0.0 110.866 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.795 HD13 ' O ' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -62.67 -37.44 79.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.155 -0.966 . . . . 0.0 110.14 -179.405 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.417 ' N ' HG23 ' A' ' 33' ' ' ILE . 52.9 t-20 -63.58 -54.5 35.07 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.951 -1.093 . . . . 0.0 110.054 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.444 ' HA ' ' CG2' ' A' ' 38' ' ' ILE . 47.3 t80 -59.46 -46.11 89.69 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.284 -0.885 . . . . 0.0 110.141 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 47.6 t -58.91 -39.73 82.4 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.104 -0.998 . . . . 0.0 109.57 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.667 HD22 ' CE1' ' A' ' 41' ' ' PHE . 2.5 tm? -63.5 -55.17 26.16 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.427 -0.796 . . . . 0.0 109.111 179.632 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.529 ' O ' HD23 ' A' ' 42' ' ' LEU . 8.1 tp -67.83 -23.57 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.397 -0.814 . . . . 0.0 110.687 -179.667 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 53.1 tp -79.79 -32.51 40.85 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.275 -0.891 . . . . 0.0 111.568 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.41 HG21 HD13 ' A' ' 40' ' ' ILE . 61.7 mt -96.41 -28.03 3.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 120.96 -1.087 . . . . 0.0 111.733 -178.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.667 ' CE1' HD22 ' A' ' 37' ' ' LEU . 9.9 m-85 -82.54 -24.62 33.97 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.018 -1.051 . . . . 0.0 110.933 -179.406 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.874 HD12 ' N ' ' A' ' 43' ' ' LEU . 3.7 pp -59.88 -21.14 60.62 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.903 -1.123 . . . . 0.0 109.839 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.874 ' N ' HD12 ' A' ' 42' ' ' LEU . 62.5 tp -88.73 -37.82 15.2 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.301 -0.874 . . . . 0.0 110.455 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 87.3 mt -65.17 -45.37 85.16 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.31 -0.869 . . . . 0.0 110.883 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 29.9 pt -55.06 -20.75 6.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.136 -0.977 . . . . 0.0 110.796 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.41 ' O ' ' HG2' ' A' ' 50' ' ' MET . 53.5 t -82.36 -26.49 32.87 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.178 -0.951 . . . . 0.0 110.853 -179.583 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 46.0 mm -61.97 -40.91 88.94 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 O-C-N 121.176 -0.953 . . . . 0.0 111.267 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.437 HG13 ' N ' ' A' ' 49' ' ' VAL . 28.6 pt -79.09 -35.01 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.124 -0.985 . . . . 0.0 111.056 -179.024 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.437 ' N ' HG13 ' A' ' 48' ' ' ILE . 63.8 t -72.57 -31.42 37.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.134 -0.979 . . . . 0.0 110.724 -179.528 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.41 ' HG2' ' O ' ' A' ' 46' ' ' CYS . 26.3 mmt -83.5 -1.93 54.79 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.149 -0.969 . . . . 0.0 111.228 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.8 mt -119.86 -38.74 2.92 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.976 -1.077 . . . . 0.0 110.345 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 84.1 mt . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.215 -179.974 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.1 ptt? . . . . . 0 N--CA 1.485 1.279 0 CA-C-O 121.932 0.873 . . . . 0.0 110.507 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -164.55 -39.83 0.03 OUTLIER 'General case' 0 C--N 1.294 -1.819 0 CA-C-O 121.31 0.576 . . . . 0.0 109.882 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.436 ' HG3' ' N ' ' A' ' 4' ' ' VAL . 64.4 pttt -110.29 -35.45 6.07 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.32 -0.863 . . . . 0.0 109.877 179.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.436 ' N ' ' HG3' ' A' ' 3' ' ' LYS . 8.1 p -64.51 -12.72 13.02 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 O-C-N 121.113 -0.992 . . . . 0.0 109.833 179.094 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.499 ' HG3' ' N ' ' A' ' 6' ' ' TYR . 3.0 pt20 -75.2 -45.83 37.94 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.068 -1.02 . . . . 0.0 111.182 -179.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.537 ' CE1' ' HG ' ' A' ' 7' ' ' LEU . 11.3 p90 -87.13 -34.19 19.17 Favored 'General case' 0 N--CA 1.485 1.313 0 O-C-N 120.703 -1.248 . . . . 0.0 109.144 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.537 ' HG ' ' CE1' ' A' ' 6' ' ' TYR . 83.2 mt -57.92 -40.57 80.73 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.106 -0.996 . . . . 0.0 109.618 178.442 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 84.7 m -70.54 -41.64 72.25 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.242 -0.911 . . . . 0.0 110.189 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 49.7 ttt-85 -52.67 -42.34 64.64 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.33 -0.856 . . . . 0.0 110.06 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 80.5 p -85.47 -8.77 58.19 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.399 -0.813 . . . . 0.0 110.586 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.702 ' C ' HD12 ' A' ' 12' ' ' ILE . . . -78.36 -31.07 48.33 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 120.993 -1.067 . . . . 0.0 110.957 -179.429 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.76 HD12 ' N ' ' A' ' 12' ' ' ILE . 2.4 mp -112.85 -39.53 3.26 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 O-C-N 121.007 -1.058 . . . . 0.0 110.755 -179.296 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.417 ' O ' ' HB ' ' A' ' 17' ' ' THR . 18.7 mmt85 -65.27 -45.62 83.75 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.951 -1.093 . . . . 0.0 110.481 -179.366 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.555 ' CZ ' ' HB3' ' A' ' 14' ' ' ARG . 2.3 mtp-105 -91.45 27.32 2.0 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 120.984 -1.073 . . . . 0.0 110.326 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -145.82 -40.01 0.23 Allowed 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.298 -0.876 . . . . 0.0 109.897 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 72.9 m -97.53 1.55 49.11 Favored 'General case' 0 C--N 1.306 -1.294 0 O-C-N 121.315 -0.866 . . . . 0.0 111.683 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.417 ' HB ' ' O ' ' A' ' 13' ' ' ARG . 88.1 m -124.69 -12.26 7.16 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.047 -1.033 . . . . 0.0 110.569 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.718 HG23 ' HG2' ' A' ' 19' ' ' GLU . 7.4 tp -110.31 -19.62 6.78 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.348 0 O-C-N 121.038 -1.039 . . . . 0.0 109.861 179.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.718 ' HG2' HG23 ' A' ' 18' ' ' ILE . 67.5 mm-40 -102.99 -20.08 14.34 Favored 'General case' 0 N--CA 1.485 1.29 0 O-C-N 121.146 -0.971 . . . . 0.0 110.53 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.4 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 24.6 ptm -144.28 55.49 3.41 Favored Pre-proline 0 N--CA 1.49 1.57 0 O-C-N 121.27 -0.894 . . . . 0.0 110.349 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.4 ' CD ' ' N ' ' A' ' 20' ' ' MET . 44.0 Cg_endo -71.47 -29.12 16.98 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 O-C-N 123.666 1.35 . . . . 0.0 110.022 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.413 ' O ' ' HG2' ' A' ' 26' ' ' GLN . 26.0 mt-30 -85.99 -32.71 21.36 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.339 -0.851 . . . . 0.0 110.049 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.447 ' HA ' ' OE1' ' A' ' 23' ' ' GLN . 4.3 tp-100 -82.23 -48.02 11.76 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 121.273 -0.892 . . . . 0.0 109.91 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.06 -43.9 67.04 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.372 -0.83 . . . . 0.0 109.98 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -58.47 -45.22 89.09 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.23 -0.919 . . . . 0.0 110.031 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 22' ' ' GLN . 97.1 mm-40 -69.41 -45.13 69.95 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.336 -0.853 . . . . 0.0 110.049 179.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -58.66 -41.89 87.14 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.45 -0.781 . . . . 0.0 110.576 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.1 tp -51.41 -25.07 5.62 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.177 -0.952 . . . . 0.0 110.348 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -54.58 -29.14 50.48 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.364 -0.835 . . . . 0.0 110.589 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.409 ' O ' HG22 ' A' ' 33' ' ' ILE . 3.5 m120 -59.71 -30.66 68.96 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.127 -0.983 . . . . 0.0 110.607 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 60.1 tp -63.72 -28.92 70.22 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.099 -1.001 . . . . 0.0 110.226 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -73.73 -53.17 10.97 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.387 -0.821 . . . . 0.0 110.866 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.795 HD13 ' O ' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -62.67 -37.44 79.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.155 -0.966 . . . . 0.0 110.14 -179.405 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.417 ' N ' HG23 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -63.58 -54.5 35.07 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.951 -1.093 . . . . 0.0 110.054 -179.762 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.444 ' HA ' ' CG2' ' A' ' 38' ' ' ILE . 47.3 t80 -59.46 -46.11 89.69 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.284 -0.885 . . . . 0.0 110.141 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 47.6 t -58.91 -39.73 82.4 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.104 -0.998 . . . . 0.0 109.57 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.667 HD22 ' CE1' ' A' ' 41' ' ' PHE . 2.5 tm? -63.5 -55.17 26.16 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.427 -0.796 . . . . 0.0 109.111 179.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.529 ' O ' HD23 ' A' ' 42' ' ' LEU . 8.1 tp -67.83 -23.57 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.397 -0.814 . . . . 0.0 110.687 -179.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 53.1 tp -79.79 -32.51 40.85 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.275 -0.891 . . . . 0.0 111.568 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.41 HG21 HD13 ' A' ' 40' ' ' ILE . 61.7 mt -96.41 -28.03 3.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 120.96 -1.087 . . . . 0.0 111.733 -178.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.667 ' CE1' HD22 ' A' ' 37' ' ' LEU . 9.9 m-85 -82.54 -24.62 33.97 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.018 -1.051 . . . . 0.0 110.933 -179.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.874 HD12 ' N ' ' A' ' 43' ' ' LEU . 3.7 pp -59.88 -21.14 60.62 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.903 -1.123 . . . . 0.0 109.839 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.874 ' N ' HD12 ' A' ' 42' ' ' LEU . 62.5 tp -88.73 -37.82 15.2 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.301 -0.874 . . . . 0.0 110.455 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 87.3 mt -65.17 -45.37 85.16 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.31 -0.869 . . . . 0.0 110.883 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 29.9 pt -55.06 -20.75 6.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.136 -0.977 . . . . 0.0 110.796 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.41 ' O ' ' HG2' ' A' ' 50' ' ' MET . 53.5 t -82.36 -26.49 32.87 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.178 -0.951 . . . . 0.0 110.853 -179.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 46.0 mm -61.97 -40.91 88.94 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 O-C-N 121.176 -0.953 . . . . 0.0 111.267 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.437 HG13 ' N ' ' A' ' 49' ' ' VAL . 28.6 pt -79.09 -35.01 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.124 -0.985 . . . . 0.0 111.056 -179.024 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.437 ' N ' HG13 ' A' ' 48' ' ' ILE . 63.8 t -72.57 -31.42 37.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.134 -0.979 . . . . 0.0 110.724 -179.528 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.41 ' HG2' ' O ' ' A' ' 46' ' ' CYS . 26.3 mmt -83.5 -1.93 54.79 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.149 -0.969 . . . . 0.0 111.228 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.8 mt -119.86 -38.74 2.92 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.976 -1.077 . . . . 0.0 110.345 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 84.1 mt . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.215 -179.974 . . . . . . . . 0 0 . 1 stop_ save_