data_1bd6_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 1bd6 _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 . . . . . . . . . . . . 2.294 . . . . . . . 0 N--CA 1.471 0.579 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -94.69 131.65 40.27 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.925 1.29 . . . . 0.0 109.254 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.5 t -137.83 155.61 30.6 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 CA-C-O 122.312 1.053 . . . . 0.0 110.913 -165.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.2 tp -62.75 159.97 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 CA-C-N 114.655 -1.157 . . . . 0.0 110.418 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.419 ' CG2' HG23 ' A' ' 60' ' ' VAL . 54.6 p -138.62 170.04 16.71 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 121.497 0.665 . . . . 0.0 109.551 158.223 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -15.94 -66.19 0.03 OUTLIER Pre-proline 0 CA--C 1.542 0.67 0 C-N-CA 128.66 2.784 . . . . 0.0 115.216 167.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_endo -50.82 -29.28 25.9 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 122.848 2.365 . . . . 0.0 116.956 -171.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.5 t -71.21 -25.97 62.74 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 120.073 1.306 . . . . 0.0 111.239 177.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 90.2 mt -52.37 127.62 10.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 O-C-N 121.025 -1.047 . . . . 0.0 109.415 178.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.19 -40.86 2.58 Favored Glycine 0 CA--C 1.527 0.82 0 C-N-CA 123.79 0.71 . . . . 0.0 111.753 177.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.4 m -54.67 -48.76 71.97 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 118.009 0.905 . . . . 0.0 108.888 168.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.464 ' HZ2' ' CD ' ' A' ' 27' ' ' GLU . 3.7 tmtm? 76.07 -42.07 0.44 Allowed 'General case' 0 C--O 1.234 0.245 0 C-N-CA 126.52 1.928 . . . . 0.0 115.262 157.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -143.71 168.02 20.91 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 126.274 1.83 . . . . 0.0 108.149 175.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -169.58 -50.68 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.566 1.546 . . . . 0.0 112.47 -174.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.5 m -141.04 165.52 27.33 Favored 'General case' 0 C--N 1.339 0.12 0 C-N-CA 129.652 3.181 . . . . 0.0 108.413 3.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.3 p -87.89 -67.18 0.84 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.25 1.02 . . . . 0.0 109.178 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.258 12.0 p 9.98 -79.04 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 C-N-CA 128.882 2.873 . . . . 0.0 116.312 -178.375 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -60.75 -25.69 66.67 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 -167.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 13.5 m -70.15 -20.86 23.26 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-N 118.887 0.767 . . . . 0.0 112.883 -173.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.6 t -77.21 122.31 85.99 Favored Pre-proline 0 CA--C 1.537 0.449 0 CA-C-N 118.757 0.708 . . . . 0.0 112.682 -164.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_exo -48.56 -35.34 28.92 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 123.879 3.053 . . . . 0.0 114.176 178.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 28.6 m -114.08 22.24 5.82 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 C-N-CA 124.181 0.992 . . . . 0.0 111.227 -176.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 40.09 22.04 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 128.395 2.678 . . . . 0.0 117.182 172.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 18.9 p -83.93 28.43 0.6 Allowed 'General case' 0 CA--C 1.532 0.279 0 O-C-N 120.182 -1.574 . . . . 0.0 113.959 -164.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.8 mp -94.87 119.86 43.49 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 N-CA-C 106.013 -1.847 . . . . 0.0 106.013 173.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 82.2 m-70 -134.35 144.06 48.03 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 123.311 0.644 . . . . 0.0 109.291 -175.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.464 ' CD ' ' HZ2' ' A' ' 12' ' ' LYS . 8.3 mm-40 -70.04 150.35 46.71 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 118.132 0.423 . . . . 0.0 111.024 -174.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -119.1 -136.87 5.44 Favored Glycine 0 C--N 1.335 0.496 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 161.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.9 mp0 -61.25 -61.57 2.46 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 124.492 1.117 . . . . 0.0 110.42 -171.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -110.29 -72.29 0.73 Allowed 'General case' 0 N--CA 1.445 -0.718 0 C-N-CA 125.78 1.632 . . . . 0.0 107.976 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -82.64 174.53 10.93 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 124.9 1.28 . . . . 0.0 110.819 -175.352 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -78.71 164.01 24.94 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-O 122.063 0.935 . . . . 0.0 111.202 166.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -126.57 173.64 9.29 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 127.098 2.159 . . . . 0.0 106.804 168.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 67.2 mt -133.8 141.2 44.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 -177.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -80.7 107.6 7.79 Favored Pre-proline 0 CA--C 1.536 0.404 0 CA-C-N 119.462 1.028 . . . . 0.0 109.017 164.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -74.65 -16.97 20.89 Favored 'Trans proline' 0 N--CA 1.451 -0.978 0 C-N-CA 121.282 1.321 . . . . 0.0 112.887 -175.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -93.61 -26.52 17.05 Favored 'General case' 0 N--CA 1.432 -1.361 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 -171.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 43.1 t -74.18 -49.34 33.29 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 C-N-CA 123.892 0.877 . . . . 0.0 109.863 161.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.9 t -51.78 134.4 30.74 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 121.421 0.629 . . . . 0.0 110.161 178.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.0 pp -93.92 22.31 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 -168.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 48.15 78.83 0.08 Allowed 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 119.395 0.998 . . . . 0.0 111.907 -166.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -124.75 167.55 14.43 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.648 0.779 . . . . 0.0 109.81 178.161 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -108.72 5.6 32.85 Favored Glycine 0 CA--C 1.531 1.094 0 C-N-CA 123.197 0.427 . . . . 0.0 113.557 -170.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.93 -64.7 0.81 Allowed 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 118.29 1.045 . . . . 0.0 110.586 -173.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 22.8 p -58.38 -43.77 88.64 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.139 0.576 . . . . 0.0 110.793 -178.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -42.4 -52.51 4.59 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 124.788 1.235 . . . . 0.0 111.372 173.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.48 -38.66 84.7 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.259 -176.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -76.51 -39.26 32.93 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 C-N-CA 122.427 0.291 . . . . 0.0 110.904 -173.156 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 50.5 t -61.54 128.04 89.45 Favored Pre-proline 0 CA--C 1.538 0.504 0 C-N-CA 123.14 0.576 . . . . 0.0 110.508 -173.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -50.19 118.01 3.61 Favored 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 122.54 2.16 . . . . 0.0 111.623 176.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.0 t 60.07 21.19 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 C-N-CA 124.399 1.08 . . . . 0.0 111.477 178.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.9 m 48.48 54.58 10.26 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 124.537 1.135 . . . . 0.0 111.245 -177.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.89 -34.49 54.99 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 121.153 0.502 . . . . 0.0 109.952 170.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 78.7 mt -68.47 107.99 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 165.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -118.19 153.98 32.94 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.457 1.103 . . . . 0.0 110.298 178.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -72.72 142.11 48.19 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.637 -178.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -48.65 -33.05 9.25 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 114.398 1.258 . . . . 0.0 114.398 -174.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -72.72 -53.65 11.1 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.537 0.735 . . . . 0.0 110.185 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.8 m-30 -61.51 -34.97 76.42 Favored 'General case' 0 N--CA 1.441 -0.89 0 C-N-CA 127.339 2.256 . . . . 0.0 109.806 -177.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.419 HG23 ' CG2' ' A' ' 5' ' ' THR . 2.6 t -49.13 125.07 14.06 Favored Pre-proline 0 N--CA 1.452 -0.365 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.617 176.381 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -61.24 149.12 90.82 Favored 'Trans proline' 0 N--CA 1.451 -0.987 0 C-N-CA 121.513 1.475 . . . . 0.0 109.509 -178.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -45.45 -45.81 13.18 Favored 'General case' 0 N--CA 1.438 -1.047 0 C-N-CA 127.117 2.167 . . . . 0.0 110.989 177.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -41.47 -45.01 3.08 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.761 1.224 . . . . 0.0 112.101 171.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 50.1 m0 -104.61 -1.41 26.48 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.785 2.034 . . . . 0.0 113.398 -175.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 41.8 mttp -55.99 -26.54 48.91 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 120.636 -1.29 . . . . 0.0 110.429 164.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.8 p -52.06 -59.12 4.72 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.282 1.433 . . . . 0.0 111.22 166.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -55.66 -38.83 70.11 Favored 'General case' 0 CA--C 1.512 -0.49 0 O-C-N 121.962 -0.461 . . . . 0.0 110.548 178.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -64.7 -45.64 94.63 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.879 0 C-N-CA 119.748 -0.781 . . . . 0.0 109.996 -177.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -55.03 -41.46 71.39 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-O 118.341 -0.837 . . . . 0.0 110.317 169.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 51.8 tttm -59.34 -53.18 61.16 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 119.493 1.042 . . . . 0.0 112.483 177.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -51.61 -43.61 62.6 Favored 'General case' 0 CA--C 1.513 -0.471 0 C-N-CA 123.805 0.842 . . . . 0.0 110.713 173.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.67 -58.34 8.78 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 119.18 -1.008 . . . . 0.0 109.36 171.514 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -51.9 -43.17 63.23 Favored 'General case' 0 CA--C 1.518 -0.282 0 C-N-CA 124.801 1.24 . . . . 0.0 110.983 -170.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -44.38 -43.66 7.76 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 125.271 1.428 . . . . 0.0 112.329 176.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -111.3 -4.79 14.81 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 123.716 0.807 . . . . 0.0 112.862 -177.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.8 ttpp -84.95 -153.71 0.17 Allowed 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 125.485 1.514 . . . . 0.0 108.46 173.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 34.0 mmtm . . . . . 0 C--O 1.259 1.582 0 C-N-CA 130.934 3.693 . . . . 0.0 102.945 -155.6 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' F3S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SF4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.445 ' HB1' ' SG ' ' A' ' 39' ' ' CYS 2.294 . . . . . . . 0 N--CA 1.471 0.579 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -94.69 131.65 40.27 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.925 1.29 . . . . 0.0 109.254 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.413 HG11 ' HA ' ' A' ' 68' ' ' ILE . 1.5 t -137.83 155.61 30.6 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 CA-C-O 122.312 1.053 . . . . 0.0 110.913 -165.671 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.519 HG22 HD21 ' A' ' 71' ' ' ASN . 2.2 tp -62.75 159.97 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 CA-C-N 114.655 -1.157 . . . . 0.0 110.418 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.408 ' CG2' HG22 ' A' ' 60' ' ' VAL . 54.6 p -138.62 170.04 16.71 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 121.497 0.665 . . . . 0.0 109.551 158.223 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -15.94 -66.19 0.03 OUTLIER Pre-proline 0 CA--C 1.542 0.67 0 C-N-CA 128.66 2.784 . . . . 0.0 115.216 167.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_endo -50.82 -29.28 25.9 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 122.848 2.365 . . . . 0.0 116.956 -171.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.5 t -71.21 -25.97 62.74 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 120.073 1.306 . . . . 0.0 111.239 177.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 90.2 mt -52.37 127.62 10.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 O-C-N 121.025 -1.047 . . . . 0.0 109.415 178.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.19 -40.86 2.58 Favored Glycine 0 CA--C 1.527 0.82 0 C-N-CA 123.79 0.71 . . . . 0.0 111.753 177.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.4 m -54.67 -48.76 71.97 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 118.009 0.905 . . . . 0.0 108.888 168.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? 76.07 -42.07 0.44 Allowed 'General case' 0 C--O 1.234 0.245 0 C-N-CA 126.52 1.928 . . . . 0.0 115.262 157.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -143.71 168.02 20.91 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 126.274 1.83 . . . . 0.0 108.149 175.637 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -169.58 -50.68 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.566 1.546 . . . . 0.0 112.47 -174.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.5 m -141.04 165.52 27.33 Favored 'General case' 0 C--N 1.339 0.12 0 C-N-CA 129.652 3.181 . . . . 0.0 108.413 3.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.3 p -87.89 -67.18 0.84 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.25 1.02 . . . . 0.0 109.178 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.505 HG13 ' H ' ' A' ' 18' ' ' GLU 0.258 12.0 p 9.98 -79.04 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 C-N-CA 128.882 2.873 . . . . 0.0 116.312 -178.375 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.505 ' H ' HG13 ' A' ' 17' ' ' VAL . 10.9 pt-20 -60.75 -25.69 66.67 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 -167.722 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 13.5 m -70.15 -20.86 23.26 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-N 118.887 0.767 . . . . 0.0 112.883 -173.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.6 t -77.21 122.31 85.99 Favored Pre-proline 0 CA--C 1.537 0.449 0 CA-C-N 118.757 0.708 . . . . 0.0 112.682 -164.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_exo -48.56 -35.34 28.92 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 123.879 3.053 . . . . 0.0 114.176 178.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 28.6 m -114.08 22.24 5.82 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 C-N-CA 124.181 0.992 . . . . 0.0 111.227 -176.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 40.09 22.04 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 128.395 2.678 . . . . 0.0 117.182 172.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 18.9 p -83.93 28.43 0.6 Allowed 'General case' 0 CA--C 1.532 0.279 0 O-C-N 120.182 -1.574 . . . . 0.0 113.959 -164.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.8 mp -94.87 119.86 43.49 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 N-CA-C 106.013 -1.847 . . . . 0.0 106.013 173.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 82.2 m-70 -134.35 144.06 48.03 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 123.311 0.644 . . . . 0.0 109.291 -175.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.418 ' HA ' ' HA ' ' A' ' 32' ' ' TYR . 8.3 mm-40 -70.04 150.35 46.71 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 118.132 0.423 . . . . 0.0 111.024 -174.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -119.1 -136.87 5.44 Favored Glycine 0 C--N 1.335 0.496 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 161.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.9 mp0 -61.25 -61.57 2.46 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 124.492 1.117 . . . . 0.0 110.42 -171.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -110.29 -72.29 0.73 Allowed 'General case' 0 N--CA 1.445 -0.718 0 C-N-CA 125.78 1.632 . . . . 0.0 107.976 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -82.64 174.53 10.93 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 124.9 1.28 . . . . 0.0 110.819 -175.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.418 ' HA ' ' HA ' ' A' ' 27' ' ' GLU . 40.8 m-85 -78.71 164.01 24.94 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-O 122.063 0.935 . . . . 0.0 111.202 166.191 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -126.57 173.64 9.29 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 127.098 2.159 . . . . 0.0 106.804 168.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 67.2 mt -133.8 141.2 44.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 -177.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -80.7 107.6 7.79 Favored Pre-proline 0 CA--C 1.536 0.404 0 CA-C-N 119.462 1.028 . . . . 0.0 109.017 164.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -74.65 -16.97 20.89 Favored 'Trans proline' 0 N--CA 1.451 -0.978 0 C-N-CA 121.282 1.321 . . . . 0.0 112.887 -175.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -93.61 -26.52 17.05 Favored 'General case' 0 N--CA 1.432 -1.361 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 -171.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 43.1 t -74.18 -49.34 33.29 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 C-N-CA 123.892 0.877 . . . . 0.0 109.863 161.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.445 ' SG ' ' HB1' ' A' ' 1' ' ' ALA . 13.9 t -51.78 134.4 30.74 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 121.421 0.629 . . . . 0.0 110.161 178.292 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.0 pp -93.92 22.31 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 -168.081 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 48.15 78.83 0.08 Allowed 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 119.395 0.998 . . . . 0.0 111.907 -166.084 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -124.75 167.55 14.43 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.648 0.779 . . . . 0.0 109.81 178.161 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -108.72 5.6 32.85 Favored Glycine 0 CA--C 1.531 1.094 0 C-N-CA 123.197 0.427 . . . . 0.0 113.557 -170.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.93 -64.7 0.81 Allowed 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 118.29 1.045 . . . . 0.0 110.586 -173.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 22.8 p -58.38 -43.77 88.64 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.139 0.576 . . . . 0.0 110.793 -178.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -42.4 -52.51 4.59 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 124.788 1.235 . . . . 0.0 111.372 173.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.48 -38.66 84.7 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.259 -176.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -76.51 -39.26 32.93 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 C-N-CA 122.427 0.291 . . . . 0.0 110.904 -173.156 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.464 ' SG ' ' HB3' ' A' ' 53' ' ' ALA . 50.5 t -61.54 128.04 89.45 Favored Pre-proline 0 CA--C 1.538 0.504 0 C-N-CA 123.14 0.576 . . . . 0.0 110.508 -173.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -50.19 118.01 3.61 Favored 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 122.54 2.16 . . . . 0.0 111.623 176.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.0 t 60.07 21.19 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 C-N-CA 124.399 1.08 . . . . 0.0 111.477 178.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.9 m 48.48 54.58 10.26 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 124.537 1.135 . . . . 0.0 111.245 -177.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.464 ' HB3' ' SG ' ' A' ' 49' ' ' CYS . . . -52.89 -34.49 54.99 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 121.153 0.502 . . . . 0.0 109.952 170.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 78.7 mt -68.47 107.99 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 165.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -118.19 153.98 32.94 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.457 1.103 . . . . 0.0 110.298 178.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -72.72 142.11 48.19 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.637 -178.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -48.65 -33.05 9.25 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 114.398 1.258 . . . . 0.0 114.398 -174.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -72.72 -53.65 11.1 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.537 0.735 . . . . 0.0 110.185 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.8 m-30 -61.51 -34.97 76.42 Favored 'General case' 0 N--CA 1.441 -0.89 0 C-N-CA 127.339 2.256 . . . . 0.0 109.806 -177.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.408 HG22 ' CG2' ' A' ' 5' ' ' THR . 2.6 t -49.13 125.07 14.06 Favored Pre-proline 0 N--CA 1.452 -0.365 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.617 176.381 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -61.24 149.12 90.82 Favored 'Trans proline' 0 N--CA 1.451 -0.987 0 C-N-CA 121.513 1.475 . . . . 0.0 109.509 -178.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -45.45 -45.81 13.18 Favored 'General case' 0 N--CA 1.438 -1.047 0 C-N-CA 127.117 2.167 . . . . 0.0 110.989 177.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -41.47 -45.01 3.08 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.761 1.224 . . . . 0.0 112.101 171.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 50.1 m0 -104.61 -1.41 26.48 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.785 2.034 . . . . 0.0 113.398 -175.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 41.8 mttp -55.99 -26.54 48.91 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 120.636 -1.29 . . . . 0.0 110.429 164.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.8 p -52.06 -59.12 4.72 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.282 1.433 . . . . 0.0 111.22 166.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -55.66 -38.83 70.11 Favored 'General case' 0 CA--C 1.512 -0.49 0 O-C-N 121.962 -0.461 . . . . 0.0 110.548 178.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.413 ' HA ' HG11 ' A' ' 3' ' ' VAL . 0.5 OUTLIER -64.7 -45.64 94.63 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.879 0 C-N-CA 119.748 -0.781 . . . . 0.0 109.996 -177.821 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -55.03 -41.46 71.39 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-O 118.341 -0.837 . . . . 0.0 110.317 169.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 51.8 tttm -59.34 -53.18 61.16 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 119.493 1.042 . . . . 0.0 112.483 177.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.519 HD21 HG22 ' A' ' 4' ' ' ILE . 4.1 m-80 -51.61 -43.61 62.6 Favored 'General case' 0 CA--C 1.513 -0.471 0 C-N-CA 123.805 0.842 . . . . 0.0 110.713 173.649 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.67 -58.34 8.78 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 119.18 -1.008 . . . . 0.0 109.36 171.514 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -51.9 -43.17 63.23 Favored 'General case' 0 CA--C 1.518 -0.282 0 C-N-CA 124.801 1.24 . . . . 0.0 110.983 -170.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -44.38 -43.66 7.76 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 125.271 1.428 . . . . 0.0 112.329 176.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -111.3 -4.79 14.81 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 123.716 0.807 . . . . 0.0 112.862 -177.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.8 ttpp -84.95 -153.71 0.17 Allowed 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 125.485 1.514 . . . . 0.0 108.46 173.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 34.0 mmtm . . . . . 0 C--O 1.259 1.582 0 C-N-CA 130.934 3.693 . . . . 0.0 102.945 -155.6 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 78' ' ' F3S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SF4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.445 ' HB1' ' SG ' ' A' ' 39' ' ' CYS 2.294 . . . . . . . 0 N--CA 1.471 0.579 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -94.69 131.65 40.27 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.925 1.29 . . . . 0.0 109.254 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.413 HG11 ' HA ' ' A' ' 68' ' ' ILE . 1.5 t -137.83 155.61 30.6 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 CA-C-O 122.312 1.053 . . . . 0.0 110.913 -165.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.519 HG22 HD21 ' A' ' 71' ' ' ASN . 2.2 tp -62.75 159.97 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 CA-C-N 114.655 -1.157 . . . . 0.0 110.418 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.408 ' CG2' HG22 ' A' ' 60' ' ' VAL . 54.6 p -138.62 170.04 16.71 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 121.497 0.665 . . . . 0.0 109.551 158.223 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -15.94 -66.19 0.03 OUTLIER Pre-proline 0 CA--C 1.542 0.67 0 C-N-CA 128.66 2.784 . . . . 0.0 115.216 167.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_endo -50.82 -29.28 25.9 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 122.848 2.365 . . . . 0.0 116.956 -171.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.5 t -71.21 -25.97 62.74 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 120.073 1.306 . . . . 0.0 111.239 177.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 90.2 mt -52.37 127.62 10.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 O-C-N 121.025 -1.047 . . . . 0.0 109.415 178.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.19 -40.86 2.58 Favored Glycine 0 CA--C 1.527 0.82 0 C-N-CA 123.79 0.71 . . . . 0.0 111.753 177.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.4 m -54.67 -48.76 71.97 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 118.009 0.905 . . . . 0.0 108.888 168.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? 76.07 -42.07 0.44 Allowed 'General case' 0 C--O 1.234 0.245 0 C-N-CA 126.52 1.928 . . . . 0.0 115.262 157.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -143.71 168.02 20.91 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 126.274 1.83 . . . . 0.0 108.149 175.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -169.58 -50.68 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.566 1.546 . . . . 0.0 112.47 -174.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.5 m -141.04 165.52 27.33 Favored 'General case' 0 C--N 1.339 0.12 0 C-N-CA 129.652 3.181 . . . . 0.0 108.413 3.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.3 p -87.89 -67.18 0.84 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.25 1.02 . . . . 0.0 109.178 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.505 HG13 ' H ' ' A' ' 18' ' ' GLU 0.258 12.0 p 9.98 -79.04 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 C-N-CA 128.882 2.873 . . . . 0.0 116.312 -178.375 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.505 ' H ' HG13 ' A' ' 17' ' ' VAL . 10.9 pt-20 -60.75 -25.69 66.67 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 -167.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 13.5 m -70.15 -20.86 23.26 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-N 118.887 0.767 . . . . 0.0 112.883 -173.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.6 t -77.21 122.31 85.99 Favored Pre-proline 0 CA--C 1.537 0.449 0 CA-C-N 118.757 0.708 . . . . 0.0 112.682 -164.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_exo -48.56 -35.34 28.92 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 123.879 3.053 . . . . 0.0 114.176 178.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 28.6 m -114.08 22.24 5.82 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 C-N-CA 124.181 0.992 . . . . 0.0 111.227 -176.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 40.09 22.04 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 128.395 2.678 . . . . 0.0 117.182 172.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 18.9 p -83.93 28.43 0.6 Allowed 'General case' 0 CA--C 1.532 0.279 0 O-C-N 120.182 -1.574 . . . . 0.0 113.959 -164.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.8 mp -94.87 119.86 43.49 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 N-CA-C 106.013 -1.847 . . . . 0.0 106.013 173.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 82.2 m-70 -134.35 144.06 48.03 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 123.311 0.644 . . . . 0.0 109.291 -175.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.418 ' HA ' ' HA ' ' A' ' 32' ' ' TYR . 8.3 mm-40 -70.04 150.35 46.71 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 118.132 0.423 . . . . 0.0 111.024 -174.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -119.1 -136.87 5.44 Favored Glycine 0 C--N 1.335 0.496 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 161.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.9 mp0 -61.25 -61.57 2.46 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 124.492 1.117 . . . . 0.0 110.42 -171.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -110.29 -72.29 0.73 Allowed 'General case' 0 N--CA 1.445 -0.718 0 C-N-CA 125.78 1.632 . . . . 0.0 107.976 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -82.64 174.53 10.93 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 124.9 1.28 . . . . 0.0 110.819 -175.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.418 ' HA ' ' HA ' ' A' ' 27' ' ' GLU . 40.8 m-85 -78.71 164.01 24.94 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-O 122.063 0.935 . . . . 0.0 111.202 166.191 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -126.57 173.64 9.29 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 127.098 2.159 . . . . 0.0 106.804 168.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 67.2 mt -133.8 141.2 44.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 -177.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -80.7 107.6 7.79 Favored Pre-proline 0 CA--C 1.536 0.404 0 CA-C-N 119.462 1.028 . . . . 0.0 109.017 164.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -74.65 -16.97 20.89 Favored 'Trans proline' 0 N--CA 1.451 -0.978 0 C-N-CA 121.282 1.321 . . . . 0.0 112.887 -175.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -93.61 -26.52 17.05 Favored 'General case' 0 N--CA 1.432 -1.361 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 -171.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 43.1 t -74.18 -49.34 33.29 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 C-N-CA 123.892 0.877 . . . . 0.0 109.863 161.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.445 ' SG ' ' HB1' ' A' ' 1' ' ' ALA . 13.9 t -51.78 134.4 30.74 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 121.421 0.629 . . . . 0.0 110.161 178.292 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.0 pp -93.92 22.31 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 -168.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 48.15 78.83 0.08 Allowed 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 119.395 0.998 . . . . 0.0 111.907 -166.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -124.75 167.55 14.43 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.648 0.779 . . . . 0.0 109.81 178.161 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -108.72 5.6 32.85 Favored Glycine 0 CA--C 1.531 1.094 0 C-N-CA 123.197 0.427 . . . . 0.0 113.557 -170.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.93 -64.7 0.81 Allowed 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 118.29 1.045 . . . . 0.0 110.586 -173.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 22.8 p -58.38 -43.77 88.64 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.139 0.576 . . . . 0.0 110.793 -178.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -42.4 -52.51 4.59 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 124.788 1.235 . . . . 0.0 111.372 173.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.48 -38.66 84.7 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.259 -176.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -76.51 -39.26 32.93 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 C-N-CA 122.427 0.291 . . . . 0.0 110.904 -173.156 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.464 ' SG ' ' HB3' ' A' ' 53' ' ' ALA . 50.5 t -61.54 128.04 89.45 Favored Pre-proline 0 CA--C 1.538 0.504 0 C-N-CA 123.14 0.576 . . . . 0.0 110.508 -173.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -50.19 118.01 3.61 Favored 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 122.54 2.16 . . . . 0.0 111.623 176.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.0 t 60.07 21.19 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 C-N-CA 124.399 1.08 . . . . 0.0 111.477 178.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.9 m 48.48 54.58 10.26 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 124.537 1.135 . . . . 0.0 111.245 -177.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.464 ' HB3' ' SG ' ' A' ' 49' ' ' CYS . . . -52.89 -34.49 54.99 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 121.153 0.502 . . . . 0.0 109.952 170.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 78.7 mt -68.47 107.99 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 165.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -118.19 153.98 32.94 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.457 1.103 . . . . 0.0 110.298 178.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -72.72 142.11 48.19 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.637 -178.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -48.65 -33.05 9.25 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 114.398 1.258 . . . . 0.0 114.398 -174.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -72.72 -53.65 11.1 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.537 0.735 . . . . 0.0 110.185 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.8 m-30 -61.51 -34.97 76.42 Favored 'General case' 0 N--CA 1.441 -0.89 0 C-N-CA 127.339 2.256 . . . . 0.0 109.806 -177.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.408 HG22 ' CG2' ' A' ' 5' ' ' THR . 2.6 t -49.13 125.07 14.06 Favored Pre-proline 0 N--CA 1.452 -0.365 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.617 176.381 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -61.24 149.12 90.82 Favored 'Trans proline' 0 N--CA 1.451 -0.987 0 C-N-CA 121.513 1.475 . . . . 0.0 109.509 -178.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -45.45 -45.81 13.18 Favored 'General case' 0 N--CA 1.438 -1.047 0 C-N-CA 127.117 2.167 . . . . 0.0 110.989 177.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -41.47 -45.01 3.08 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.761 1.224 . . . . 0.0 112.101 171.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 50.1 m0 -104.61 -1.41 26.48 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.785 2.034 . . . . 0.0 113.398 -175.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 41.8 mttp -55.99 -26.54 48.91 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 120.636 -1.29 . . . . 0.0 110.429 164.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.8 p -52.06 -59.12 4.72 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.282 1.433 . . . . 0.0 111.22 166.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -55.66 -38.83 70.11 Favored 'General case' 0 CA--C 1.512 -0.49 0 O-C-N 121.962 -0.461 . . . . 0.0 110.548 178.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.413 ' HA ' HG11 ' A' ' 3' ' ' VAL . 0.5 OUTLIER -64.7 -45.64 94.63 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.879 0 C-N-CA 119.748 -0.781 . . . . 0.0 109.996 -177.821 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -55.03 -41.46 71.39 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-O 118.341 -0.837 . . . . 0.0 110.317 169.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 51.8 tttm -59.34 -53.18 61.16 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 119.493 1.042 . . . . 0.0 112.483 177.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.519 HD21 HG22 ' A' ' 4' ' ' ILE . 4.1 m-80 -51.61 -43.61 62.6 Favored 'General case' 0 CA--C 1.513 -0.471 0 C-N-CA 123.805 0.842 . . . . 0.0 110.713 173.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.67 -58.34 8.78 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 119.18 -1.008 . . . . 0.0 109.36 171.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -51.9 -43.17 63.23 Favored 'General case' 0 CA--C 1.518 -0.282 0 C-N-CA 124.801 1.24 . . . . 0.0 110.983 -170.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -44.38 -43.66 7.76 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 125.271 1.428 . . . . 0.0 112.329 176.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -111.3 -4.79 14.81 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 123.716 0.807 . . . . 0.0 112.862 -177.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.8 ttpp -84.95 -153.71 0.17 Allowed 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 125.485 1.514 . . . . 0.0 108.46 173.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 34.0 mmtm . . . . . 0 C--O 1.259 1.582 0 C-N-CA 130.934 3.693 . . . . 0.0 102.945 -155.6 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' F3S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SF4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_