data_2tgf_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 2tgf _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 10.7 p . . . . . 0 N--CA 1.464 0.236 0 CA-C-O 120.387 0.137 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . 0.352 15.9 m 41.84 -57.93 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 N-CA-C 117.127 2.269 . . . . 0.0 117.127 -149.014 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.4 p -24.53 -66.87 0.04 OUTLIER 'General case' 0 C--O 1.219 -0.51 0 C-N-CA 128.708 2.803 . . . . 0.0 115.805 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 12.1 m80 -115.13 52.36 0.87 Allowed 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.293 1.037 . . . . 0.0 110.615 -177.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.263 0.0 OUTLIER -120.08 -24.04 6.14 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 116.0 1.852 . . . . 0.0 116.0 170.42 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 13.2 p30 45.69 -143.07 0.26 Allowed 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 116.271 1.952 . . . . 0.0 116.271 162.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -143.8 108.72 4.94 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 126.606 1.962 . . . . 0.0 107.835 -174.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.1 p -55.94 122.32 46.33 Favored Pre-proline 0 N--CA 1.475 0.808 0 N-CA-C 116.413 2.005 . . . . 0.0 116.413 -161.169 62.984 175.303 82.347 103.226 2.042 105.017 40.367 37.472 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -69.98 101.56 0.96 Allowed 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 123.108 2.539 . . . . 0.0 111.698 172.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -79.95 63.46 4.49 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 116.719 2.118 . . . . 0.0 116.719 -164.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.8 p -109.41 -46.03 3.61 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 126.833 2.053 . . . . 0.0 112.398 168.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -111.06 -42.59 3.93 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.853 1.661 . . . . 0.0 112.862 -173.379 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.0 p -54.14 -1.22 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 117.355 2.354 . . . . 0.0 117.355 172.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -37.45 3.99 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 121.563 3.912 . . . . 0.0 121.563 145.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -40.72 -34.16 0.35 Allowed 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 140.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 97.1 m -127.54 135.94 51.04 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 124.277 1.031 . . . . 0.0 113.367 162.812 -65.863 136.153 101.74 102.73 2.048 102.327 173.449 -51.859 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -83.67 -65.8 0.97 Allowed 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 112.826 -1.988 . . . . 0.0 111.739 178.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -107.23 62.27 0.62 Allowed 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 124.267 1.984 . . . . 0.0 108.809 174.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -146.5 109.32 0.48 Allowed Glycine 0 CA--C 1.537 1.44 0 CA-C-N 111.179 -2.737 . . . . 0.0 111.339 -174.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.1 p -76.38 85.01 3.13 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 113.42 -1.39 . . . . 0.0 109.098 174.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.4 p -76.82 144.19 39.27 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 110.337 -3.12 . . . . 0.0 115.913 -176.198 37.472 40.367 82.347 105.017 2.042 103.226 175.303 62.984 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.9 mpt_? -101.35 110.52 22.54 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 112.529 -2.123 . . . . 0.0 108.645 166.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -84.01 88.04 7.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 112.745 -2.025 . . . . 0.0 110.574 -177.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.3 mt -64.91 87.93 0.06 Allowed 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 112.594 -2.094 . . . . 0.0 110.469 176.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 46.5 t -65.17 -40.74 89.76 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 C-N-CA 124.915 1.286 . . . . 0.0 111.221 -171.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.82 -17.11 47.81 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 177.528 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -113.43 -4.49 13.59 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 127.248 2.219 . . . . 0.0 115.211 174.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.0 p30 49.75 28.74 2.84 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 117.628 2.455 . . . . 0.0 117.628 -166.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -117.02 118.38 36.17 Favored Pre-proline 0 N--CA 1.472 0.632 0 CA-C-N 113.899 -1.501 . . . . 0.0 113.611 -162.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -71.73 130.63 17.24 Favored 'Trans proline' 0 C--O 1.239 0.531 0 C-N-CA 122.166 1.911 . . . . 0.0 110.502 163.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -132.61 138.43 47.38 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 124.697 1.199 . . . . 0.0 111.27 166.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 37.1 m -116.83 141.86 47.67 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 116.251 1.945 . . . . 0.0 116.251 -154.297 -51.859 173.449 101.74 102.327 2.048 102.73 136.153 -65.863 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 62.1 t -92.58 101.71 12.87 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 N-CA-C 105.228 -2.138 . . . . 0.0 105.228 157.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 94.3 m -59.49 133.81 56.44 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 122.981 0.175 . . . . 0.0 110.64 170.209 -66.21 -25.066 -79.649 106.889 2.037 105.507 -65.952 -61.871 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 25.4 m170 -52.64 152.01 3.98 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.834 0.854 . . . . 0.0 110.678 177.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.0 p -60.43 99.0 0.07 Allowed 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.325 1.05 . . . . 0.0 112.747 -172.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 110.25 8.51 25.24 Favored Glycine 0 CA--C 1.528 0.904 0 CA-C-N 113.021 -1.9 . . . . 0.0 116.812 -177.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -110.98 151.26 28.15 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 122.75 1.262 . . . . 0.0 111.337 173.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.6 m -128.51 172.8 14.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 CA-C-N 112.62 -2.082 . . . . 0.0 111.196 169.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.28 147.04 9.08 Favored Glycine 0 N--CA 1.469 0.843 0 CA-C-N 113.395 -1.73 . . . . 0.0 111.111 176.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.59 -35.19 60.58 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 167.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.7 16.41 20.66 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 175.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 72.9 m 31.19 59.88 0.26 Allowed 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 126.522 1.929 . . . . 0.0 114.702 -174.648 -61.871 -65.952 -79.649 105.507 2.037 106.889 -25.066 -66.21 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -123.2 -13.16 7.77 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 115.918 1.821 . . . . 0.0 115.918 -176.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 50.0 m-70 -98.79 104.19 16.21 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 -175.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.07 124.55 21.41 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 122.259 1.028 . . . . 0.0 110.739 170.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -75.8 39.2 0.17 Allowed 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 112.482 -2.144 . . . . 0.0 113.879 -162.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . 0.289 14.9 mt 24.32 -75.66 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 118.729 2.863 . . . . 0.0 118.729 -165.225 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.3 tp -74.58 11.82 0.93 Allowed 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 172.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.996 0 N-CA-C 117.066 2.247 . . . . 0.0 117.066 144.994 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 10.7 p . . . . . 0 N--CA 1.464 0.236 0 CA-C-O 120.387 0.137 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . 0.352 15.9 m 41.84 -57.93 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 N-CA-C 117.127 2.269 . . . . 0.0 117.127 -149.014 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.4 p -24.53 -66.87 0.04 OUTLIER 'General case' 0 C--O 1.219 -0.51 0 C-N-CA 128.708 2.803 . . . . 0.0 115.805 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 12.1 m80 -115.13 52.36 0.87 Allowed 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.293 1.037 . . . . 0.0 110.615 -177.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.263 0.0 OUTLIER -120.08 -24.04 6.14 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 116.0 1.852 . . . . 0.0 116.0 170.42 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 13.2 p30 45.69 -143.07 0.26 Allowed 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 116.271 1.952 . . . . 0.0 116.271 162.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -143.8 108.72 4.94 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 126.606 1.962 . . . . 0.0 107.835 -174.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.455 ' HB2' HG21 ' A' ' 13' ' ' THR . 30.1 p -55.94 122.32 46.33 Favored Pre-proline 0 N--CA 1.475 0.808 0 N-CA-C 116.413 2.005 . . . . 0.0 116.413 -161.169 62.984 175.303 82.347 103.226 2.042 105.017 40.367 37.472 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.435 ' HD2' ' HA ' ' A' ' 8' ' ' CYS . 57.9 Cg_endo -69.98 101.56 0.96 Allowed 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 123.108 2.539 . . . . 0.0 111.698 172.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -79.95 63.46 4.49 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 116.719 2.118 . . . . 0.0 116.719 -164.106 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.8 p -109.41 -46.03 3.61 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 126.833 2.053 . . . . 0.0 112.398 168.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -111.06 -42.59 3.93 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.853 1.661 . . . . 0.0 112.862 -173.379 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.578 HG22 ' HG3' ' A' ' 30' ' ' PRO . 16.0 p -54.14 -1.22 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 117.355 2.354 . . . . 0.0 117.355 172.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -37.45 3.99 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 121.563 3.912 . . . . 0.0 121.563 145.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.42 ' O ' ' HA ' ' A' ' 42' ' ' ARG . 81.1 t80 -40.72 -34.16 0.35 Allowed 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 140.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.407 ' HB3' ' HA3' ' A' ' 19' ' ' GLY . 97.1 m -127.54 135.94 51.04 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 124.277 1.031 . . . . 0.0 113.367 162.812 -65.863 136.153 101.74 102.73 2.048 102.327 173.449 -51.859 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -83.67 -65.8 0.97 Allowed 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 112.826 -1.988 . . . . 0.0 111.739 178.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -107.23 62.27 0.62 Allowed 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 124.267 1.984 . . . . 0.0 108.809 174.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.407 ' HA3' ' HB3' ' A' ' 16' ' ' CYS . . . -146.5 109.32 0.48 Allowed Glycine 0 CA--C 1.537 1.44 0 CA-C-N 111.179 -2.737 . . . . 0.0 111.339 -174.246 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.1 p -76.38 85.01 3.13 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 113.42 -1.39 . . . . 0.0 109.098 174.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.4 p -76.82 144.19 39.27 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 110.337 -3.12 . . . . 0.0 115.913 -176.198 37.472 40.367 82.347 105.017 2.042 103.226 175.303 62.984 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.9 mpt_? -101.35 110.52 22.54 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 112.529 -2.123 . . . . 0.0 108.645 166.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -84.01 88.04 7.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 112.745 -2.025 . . . . 0.0 110.574 -177.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.3 mt -64.91 87.93 0.06 Allowed 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 112.594 -2.094 . . . . 0.0 110.469 176.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 46.5 t -65.17 -40.74 89.76 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 C-N-CA 124.915 1.286 . . . . 0.0 111.221 -171.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.82 -17.11 47.81 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 177.528 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -113.43 -4.49 13.59 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 127.248 2.219 . . . . 0.0 115.211 174.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.0 p30 49.75 28.74 2.84 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 117.628 2.455 . . . . 0.0 117.628 -166.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -117.02 118.38 36.17 Favored Pre-proline 0 N--CA 1.472 0.632 0 CA-C-N 113.899 -1.501 . . . . 0.0 113.611 -162.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.578 ' HG3' HG22 ' A' ' 13' ' ' THR . 35.8 Cg_exo -71.73 130.63 17.24 Favored 'Trans proline' 0 C--O 1.239 0.531 0 C-N-CA 122.166 1.911 . . . . 0.0 110.502 163.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -132.61 138.43 47.38 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 124.697 1.199 . . . . 0.0 111.27 166.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 37.1 m -116.83 141.86 47.67 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 116.251 1.945 . . . . 0.0 116.251 -154.297 -51.859 173.449 101.74 102.327 2.048 102.73 136.153 -65.863 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 62.1 t -92.58 101.71 12.87 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 N-CA-C 105.228 -2.138 . . . . 0.0 105.228 157.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 94.3 m -59.49 133.81 56.44 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 122.981 0.175 . . . . 0.0 110.64 170.209 -66.21 -25.066 -79.649 106.889 2.037 105.507 -65.952 -61.871 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 25.4 m170 -52.64 152.01 3.98 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.834 0.854 . . . . 0.0 110.678 177.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.0 p -60.43 99.0 0.07 Allowed 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.325 1.05 . . . . 0.0 112.747 -172.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 110.25 8.51 25.24 Favored Glycine 0 CA--C 1.528 0.904 0 CA-C-N 113.021 -1.9 . . . . 0.0 116.812 -177.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -110.98 151.26 28.15 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 122.75 1.262 . . . . 0.0 111.337 173.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.6 m -128.51 172.8 14.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 CA-C-N 112.62 -2.082 . . . . 0.0 111.196 169.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.28 147.04 9.08 Favored Glycine 0 N--CA 1.469 0.843 0 CA-C-N 113.395 -1.73 . . . . 0.0 111.111 176.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.753 ' HB3' HH11 ' A' ' 42' ' ' ARG . . . -53.59 -35.19 60.58 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 167.142 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.753 HH11 ' HB3' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -97.7 16.41 20.66 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 175.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 72.9 m 31.19 59.88 0.26 Allowed 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 126.522 1.929 . . . . 0.0 114.702 -174.648 -61.871 -65.952 -79.649 105.507 2.037 106.889 -25.066 -66.21 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -123.2 -13.16 7.77 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 115.918 1.821 . . . . 0.0 115.918 -176.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 50.0 m-70 -98.79 104.19 16.21 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 -175.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.07 124.55 21.41 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 122.259 1.028 . . . . 0.0 110.739 170.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -75.8 39.2 0.17 Allowed 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 112.482 -2.144 . . . . 0.0 113.879 -162.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . 0.289 14.9 mt 24.32 -75.66 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 118.729 2.863 . . . . 0.0 118.729 -165.225 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.3 tp -74.58 11.82 0.93 Allowed 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 172.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.996 0 N-CA-C 117.066 2.247 . . . . 0.0 117.066 144.994 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 10.7 p . . . . . 0 N--CA 1.464 0.236 0 CA-C-O 120.387 0.137 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . 0.352 15.9 m 41.84 -57.93 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 N-CA-C 117.127 2.269 . . . . 0.0 117.127 -149.014 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.4 p -24.53 -66.87 0.04 OUTLIER 'General case' 0 C--O 1.219 -0.51 0 C-N-CA 128.708 2.803 . . . . 0.0 115.805 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 12.1 m80 -115.13 52.36 0.87 Allowed 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.293 1.037 . . . . 0.0 110.615 -177.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.263 0.0 OUTLIER -120.08 -24.04 6.14 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 116.0 1.852 . . . . 0.0 116.0 170.42 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 13.2 p30 45.69 -143.07 0.26 Allowed 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 116.271 1.952 . . . . 0.0 116.271 162.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -143.8 108.72 4.94 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 126.606 1.962 . . . . 0.0 107.835 -174.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.455 ' HB2' HG21 ' A' ' 13' ' ' THR . 30.1 p -55.94 122.32 46.33 Favored Pre-proline 0 N--CA 1.475 0.808 0 N-CA-C 116.413 2.005 . . . . 0.0 116.413 -161.169 62.984 175.303 82.347 103.226 2.042 105.017 40.367 37.472 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.435 ' HD2' ' HA ' ' A' ' 8' ' ' CYS . 57.9 Cg_endo -69.98 101.56 0.96 Allowed 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 123.108 2.539 . . . . 0.0 111.698 172.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -79.95 63.46 4.49 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 116.719 2.118 . . . . 0.0 116.719 -164.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.8 p -109.41 -46.03 3.61 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 126.833 2.053 . . . . 0.0 112.398 168.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -111.06 -42.59 3.93 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.853 1.661 . . . . 0.0 112.862 -173.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.578 HG22 ' HG3' ' A' ' 30' ' ' PRO . 16.0 p -54.14 -1.22 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 117.355 2.354 . . . . 0.0 117.355 172.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -37.45 3.99 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 121.563 3.912 . . . . 0.0 121.563 145.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.42 ' O ' ' HA ' ' A' ' 42' ' ' ARG . 81.1 t80 -40.72 -34.16 0.35 Allowed 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 140.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.407 ' HB3' ' HA3' ' A' ' 19' ' ' GLY . 97.1 m -127.54 135.94 51.04 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 124.277 1.031 . . . . 0.0 113.367 162.812 -65.863 136.153 101.74 102.73 2.048 102.327 173.449 -51.859 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -83.67 -65.8 0.97 Allowed 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 112.826 -1.988 . . . . 0.0 111.739 178.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -107.23 62.27 0.62 Allowed 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 124.267 1.984 . . . . 0.0 108.809 174.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.407 ' HA3' ' HB3' ' A' ' 16' ' ' CYS . . . -146.5 109.32 0.48 Allowed Glycine 0 CA--C 1.537 1.44 0 CA-C-N 111.179 -2.737 . . . . 0.0 111.339 -174.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.1 p -76.38 85.01 3.13 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 113.42 -1.39 . . . . 0.0 109.098 174.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.4 p -76.82 144.19 39.27 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 110.337 -3.12 . . . . 0.0 115.913 -176.198 37.472 40.367 82.347 105.017 2.042 103.226 175.303 62.984 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.9 mpt_? -101.35 110.52 22.54 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 112.529 -2.123 . . . . 0.0 108.645 166.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -84.01 88.04 7.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 112.745 -2.025 . . . . 0.0 110.574 -177.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.3 mt -64.91 87.93 0.06 Allowed 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 112.594 -2.094 . . . . 0.0 110.469 176.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 46.5 t -65.17 -40.74 89.76 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 C-N-CA 124.915 1.286 . . . . 0.0 111.221 -171.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.82 -17.11 47.81 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 177.528 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -113.43 -4.49 13.59 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 127.248 2.219 . . . . 0.0 115.211 174.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.0 p30 49.75 28.74 2.84 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 117.628 2.455 . . . . 0.0 117.628 -166.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -117.02 118.38 36.17 Favored Pre-proline 0 N--CA 1.472 0.632 0 CA-C-N 113.899 -1.501 . . . . 0.0 113.611 -162.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.578 ' HG3' HG22 ' A' ' 13' ' ' THR . 35.8 Cg_exo -71.73 130.63 17.24 Favored 'Trans proline' 0 C--O 1.239 0.531 0 C-N-CA 122.166 1.911 . . . . 0.0 110.502 163.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -132.61 138.43 47.38 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 124.697 1.199 . . . . 0.0 111.27 166.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 37.1 m -116.83 141.86 47.67 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 116.251 1.945 . . . . 0.0 116.251 -154.297 -51.859 173.449 101.74 102.327 2.048 102.73 136.153 -65.863 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 62.1 t -92.58 101.71 12.87 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 N-CA-C 105.228 -2.138 . . . . 0.0 105.228 157.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 94.3 m -59.49 133.81 56.44 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 122.981 0.175 . . . . 0.0 110.64 170.209 -66.21 -25.066 -79.649 106.889 2.037 105.507 -65.952 -61.871 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 25.4 m170 -52.64 152.01 3.98 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.834 0.854 . . . . 0.0 110.678 177.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.0 p -60.43 99.0 0.07 Allowed 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.325 1.05 . . . . 0.0 112.747 -172.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 110.25 8.51 25.24 Favored Glycine 0 CA--C 1.528 0.904 0 CA-C-N 113.021 -1.9 . . . . 0.0 116.812 -177.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -110.98 151.26 28.15 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 122.75 1.262 . . . . 0.0 111.337 173.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.6 m -128.51 172.8 14.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 CA-C-N 112.62 -2.082 . . . . 0.0 111.196 169.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.28 147.04 9.08 Favored Glycine 0 N--CA 1.469 0.843 0 CA-C-N 113.395 -1.73 . . . . 0.0 111.111 176.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.753 ' HB3' HH11 ' A' ' 42' ' ' ARG . . . -53.59 -35.19 60.58 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 167.142 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.753 HH11 ' HB3' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -97.7 16.41 20.66 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 175.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 72.9 m 31.19 59.88 0.26 Allowed 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 126.522 1.929 . . . . 0.0 114.702 -174.648 -61.871 -65.952 -79.649 105.507 2.037 106.889 -25.066 -66.21 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -123.2 -13.16 7.77 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 115.918 1.821 . . . . 0.0 115.918 -176.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 50.0 m-70 -98.79 104.19 16.21 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 -175.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.07 124.55 21.41 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 122.259 1.028 . . . . 0.0 110.739 170.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -75.8 39.2 0.17 Allowed 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 112.482 -2.144 . . . . 0.0 113.879 -162.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . 0.289 14.9 mt 24.32 -75.66 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 118.729 2.863 . . . . 0.0 118.729 -165.225 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.3 tp -74.58 11.82 0.93 Allowed 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 172.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.996 0 N-CA-C 117.066 2.247 . . . . 0.0 117.066 144.994 . . . . . . . . 0 0 . 1 stop_ save_