data_1haf_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 1haf _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' ' ' SER . . . . . . . . . . . . . 50.4 m . . . . . 0 N--CA 1.476 0.829 0 N-CA-C 111.619 0.229 . . . . 0.0 111.619 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -83.88 151.75 24.93 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.152 0.581 . . . . 0.0 109.773 -177.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 63.6 mt -88.91 87.92 7.4 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.775 0.83 . . . . 0.0 109.058 -178.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.4 p -89.72 136.14 24.43 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.094 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 178.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -64.08 137.11 57.82 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 122.673 0.389 . . . . 0.0 110.455 -174.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 81.3 m -62.61 139.99 58.65 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.584 0.754 . . . . 0.0 110.594 -178.824 -59.177 164.101 -74.015 104.442 2.057 106.63 -67.034 -177.328 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.97 160.5 20.6 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 174.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -53.1 -40.35 64.08 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 -174.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.1 pttm -57.94 -28.54 64.38 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.649 0.78 . . . . 0.0 112.487 175.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -106.4 -18.5 13.97 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.902 1.681 . . . . 0.0 112.909 -178.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.4 ptmm? -64.61 -21.32 66.68 Favored 'General case' 0 C--N 1.342 0.278 0 CA-C-N 120.875 1.67 . . . . 0.0 112.057 -174.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.7 p -75.5 -13.67 60.38 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.463 1.105 . . . . 0.0 112.038 177.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -49.76 -30.6 9.78 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.967 1.307 . . . . 0.0 111.659 175.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 67.9 m -127.0 118.25 24.1 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 175.231 -72.133 148.465 80.99 104.224 2.045 102.654 -178.251 -63.964 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.4 m -95.34 -170.78 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 C-N-CA 124.631 1.172 . . . . 0.0 111.327 -174.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 53.06 47.24 25.03 Favored 'General case' 0 C--N 1.342 0.241 0 C-N-CA 125.457 1.503 . . . . 0.0 111.326 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 68.46 17.4 70.6 Favored Glycine 0 CA--C 1.531 1.04 0 CA-C-O 119.145 -0.808 . . . . 0.0 113.129 -178.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.0 119.5 12.02 Favored Glycine 0 C--N 1.34 0.804 0 CA-C-N 118.497 1.148 . . . . 0.0 110.909 -177.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -79.8 94.61 5.82 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 -174.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.5 t -76.44 128.38 34.69 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 125.016 1.326 . . . . 0.0 111.642 -174.923 -177.328 -67.034 -74.015 106.63 2.057 104.442 164.101 -59.177 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -129.85 168.4 16.65 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 124.838 1.255 . . . . 0.0 107.675 173.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 64.7 ttp -135.89 139.84 43.64 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 124.945 1.298 . . . . 0.0 107.814 -177.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.8 t -84.32 94.13 3.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 -174.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.3 tmtt? -72.07 96.52 1.77 Allowed 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 125.467 1.507 . . . . 0.0 112.066 -174.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -157.44 145.39 19.0 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 125.147 1.379 . . . . 0.0 107.929 173.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 71.5 mt -81.91 68.62 8.36 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.693 0.797 . . . . 0.0 110.308 -174.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 34.0 t -150.37 -57.84 0.18 Allowed 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.755 0.822 . . . . 0.0 109.825 175.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -74.53 154.87 87.67 Favored Pre-proline 0 CA--C 1.535 0.389 0 C-N-CA 123.386 0.675 . . . . 0.0 110.662 -178.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -60.39 -63.04 0.12 Allowed 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 123.065 2.51 . . . . 0.0 110.838 174.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.5 m -172.13 56.54 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 126.972 2.109 . . . . 0.0 107.529 -177.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.6 ptt180 -67.01 127.12 31.36 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 -178.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -90.74 157.64 17.31 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 124.218 1.007 . . . . 0.0 112.814 -174.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -146.31 109.67 4.75 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 105.479 -2.045 . . . . 0.0 105.479 174.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 80.1 m -110.46 117.29 33.16 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.192 0.597 . . . . 0.0 110.857 -174.933 -63.964 -178.251 80.99 102.654 2.045 104.224 148.465 -72.133 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -82.71 83.72 7.57 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 105.676 -1.972 . . . . 0.0 105.676 174.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 72.5 m -75.3 160.89 29.81 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.643 -0.708 . . . . 0.0 112.301 -174.647 -61.985 -174.97 81.919 103.807 2.039 103.845 167.731 -61.527 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -70.74 150.76 95.33 Favored Pre-proline 0 N--CA 1.452 -0.369 0 CA-C-N 115.338 -0.847 . . . . 0.0 109.099 -177.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -65.39 111.9 1.97 Allowed 'Trans proline' 0 N--CA 1.452 -0.963 0 C-N-CA 122.907 2.404 . . . . 0.0 110.194 -176.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 109.99 40.94 1.35 Allowed Glycine 0 CA--C 1.528 0.894 0 C-N-CA 124.879 1.228 . . . . 0.0 112.435 176.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -136.19 154.62 50.89 Favored 'General case' 0 C--N 1.342 0.282 0 C-N-CA 123.954 0.902 . . . . 0.0 110.31 174.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.9 t -148.36 164.32 34.42 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 125.009 1.323 . . . . 0.0 109.867 -179.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.91 159.09 25.49 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 108.811 -1.716 . . . . 0.0 108.811 -174.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.33 -41.76 69.42 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.583 0.753 . . . . 0.0 111.437 -179.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -98.11 9.16 43.54 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.548 1.139 . . . . 0.0 112.252 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 74.1 m 52.98 48.31 22.71 Favored 'General case' 0 C--N 1.343 0.319 0 C-N-CA 124.402 1.081 . . . . 0.0 110.835 -179.529 -61.527 167.731 81.919 103.845 2.039 103.807 -174.97 -61.985 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -88.18 -42.02 12.59 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 126.255 1.822 . . . . 0.0 110.744 -174.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.0 mp0 -89.51 126.57 35.64 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 -174.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -78.12 146.58 35.07 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 174.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.8 m -125.27 163.59 37.23 Favored Pre-proline 0 CA--C 1.534 0.327 0 C-N-CA 124.615 1.166 . . . . 0.0 108.761 175.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -53.72 108.54 0.28 Allowed 'Trans proline' 0 N--CA 1.455 -0.736 0 C-N-CA 123.479 2.786 . . . . 0.0 115.695 -174.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 55.8 mtt -88.7 -47.95 7.88 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 106.069 -1.826 . . . . 0.0 106.069 173.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -101.72 -163.98 1.06 Allowed 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 128.314 2.646 . . . . 0.0 107.924 174.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.0 m -86.86 63.31 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.341 0.227 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 174.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -62.84 73.06 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 129.43 3.092 . . . . 0.0 111.176 -174.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -174.88 -41.29 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 126.398 1.879 . . . . 0.0 108.479 -174.273 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -83.57 66.91 9.19 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 174.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -63.86 -28.85 70.13 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.73 0.812 . . . . 0.0 110.459 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -64.21 -39.89 94.93 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.498 1.119 . . . . 0.0 110.754 174.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.52 155.05 34.16 Favored 'General case' 0 C--N 1.34 0.192 0 CA-C-O 121.005 0.431 . . . . 0.0 110.194 178.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.9 mp0 -80.23 43.51 0.63 Allowed 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.648 1.179 . . . . 0.0 111.262 -174.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -83.9 -32.94 24.88 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.564 1.145 . . . . 0.0 109.846 174.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 53.7 mt -73.08 -50.24 24.03 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.378 1.071 . . . . 0.0 109.32 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 . . . . . 0 C--O 1.25 1.114 0 CA-C-O 117.307 -1.33 . . . . 0.0 108.748 -179.692 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.4 m . . . . . 0 N--CA 1.476 0.829 0 N-CA-C 111.619 0.229 . . . . 0.0 111.619 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -83.88 151.75 24.93 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.152 0.581 . . . . 0.0 109.773 -177.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 63.6 mt -88.91 87.92 7.4 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.775 0.83 . . . . 0.0 109.058 -178.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.4 p -89.72 136.14 24.43 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.094 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 178.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -64.08 137.11 57.82 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 122.673 0.389 . . . . 0.0 110.455 -174.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 81.3 m -62.61 139.99 58.65 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.584 0.754 . . . . 0.0 110.594 -178.824 -59.177 164.101 -74.015 104.442 2.057 106.63 -67.034 -177.328 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.97 160.5 20.6 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 174.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -53.1 -40.35 64.08 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 -174.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.1 pttm -57.94 -28.54 64.38 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.649 0.78 . . . . 0.0 112.487 175.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -106.4 -18.5 13.97 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.902 1.681 . . . . 0.0 112.909 -178.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.4 ptmm? -64.61 -21.32 66.68 Favored 'General case' 0 C--N 1.342 0.278 0 CA-C-N 120.875 1.67 . . . . 0.0 112.057 -174.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.7 p -75.5 -13.67 60.38 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.463 1.105 . . . . 0.0 112.038 177.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -49.76 -30.6 9.78 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.967 1.307 . . . . 0.0 111.659 175.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 67.9 m -127.0 118.25 24.1 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 175.231 -72.133 148.465 80.99 104.224 2.045 102.654 -178.251 -63.964 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.4 m -95.34 -170.78 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 C-N-CA 124.631 1.172 . . . . 0.0 111.327 -174.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 53.06 47.24 25.03 Favored 'General case' 0 C--N 1.342 0.241 0 C-N-CA 125.457 1.503 . . . . 0.0 111.326 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 68.46 17.4 70.6 Favored Glycine 0 CA--C 1.531 1.04 0 CA-C-O 119.145 -0.808 . . . . 0.0 113.129 -178.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.0 119.5 12.02 Favored Glycine 0 C--N 1.34 0.804 0 CA-C-N 118.497 1.148 . . . . 0.0 110.909 -177.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -79.8 94.61 5.82 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 -174.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.5 t -76.44 128.38 34.69 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 125.016 1.326 . . . . 0.0 111.642 -174.923 -177.328 -67.034 -74.015 106.63 2.057 104.442 164.101 -59.177 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -129.85 168.4 16.65 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 124.838 1.255 . . . . 0.0 107.675 173.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 64.7 ttp -135.89 139.84 43.64 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 124.945 1.298 . . . . 0.0 107.814 -177.107 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.8 t -84.32 94.13 3.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 -174.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.3 tmtt? -72.07 96.52 1.77 Allowed 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 125.467 1.507 . . . . 0.0 112.066 -174.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -157.44 145.39 19.0 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 125.147 1.379 . . . . 0.0 107.929 173.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 71.5 mt -81.91 68.62 8.36 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.693 0.797 . . . . 0.0 110.308 -174.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 34.0 t -150.37 -57.84 0.18 Allowed 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.755 0.822 . . . . 0.0 109.825 175.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -74.53 154.87 87.67 Favored Pre-proline 0 CA--C 1.535 0.389 0 C-N-CA 123.386 0.675 . . . . 0.0 110.662 -178.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -60.39 -63.04 0.12 Allowed 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 123.065 2.51 . . . . 0.0 110.838 174.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.5 m -172.13 56.54 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 126.972 2.109 . . . . 0.0 107.529 -177.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.6 ptt180 -67.01 127.12 31.36 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 -178.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -90.74 157.64 17.31 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 124.218 1.007 . . . . 0.0 112.814 -174.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -146.31 109.67 4.75 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 105.479 -2.045 . . . . 0.0 105.479 174.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 80.1 m -110.46 117.29 33.16 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.192 0.597 . . . . 0.0 110.857 -174.933 -63.964 -178.251 80.99 102.654 2.045 104.224 148.465 -72.133 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -82.71 83.72 7.57 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 105.676 -1.972 . . . . 0.0 105.676 174.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 72.5 m -75.3 160.89 29.81 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.643 -0.708 . . . . 0.0 112.301 -174.647 -61.985 -174.97 81.919 103.807 2.039 103.845 167.731 -61.527 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -70.74 150.76 95.33 Favored Pre-proline 0 N--CA 1.452 -0.369 0 CA-C-N 115.338 -0.847 . . . . 0.0 109.099 -177.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -65.39 111.9 1.97 Allowed 'Trans proline' 0 N--CA 1.452 -0.963 0 C-N-CA 122.907 2.404 . . . . 0.0 110.194 -176.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 109.99 40.94 1.35 Allowed Glycine 0 CA--C 1.528 0.894 0 C-N-CA 124.879 1.228 . . . . 0.0 112.435 176.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -136.19 154.62 50.89 Favored 'General case' 0 C--N 1.342 0.282 0 C-N-CA 123.954 0.902 . . . . 0.0 110.31 174.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.9 t -148.36 164.32 34.42 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 125.009 1.323 . . . . 0.0 109.867 -179.054 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.91 159.09 25.49 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 108.811 -1.716 . . . . 0.0 108.811 -174.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.33 -41.76 69.42 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.583 0.753 . . . . 0.0 111.437 -179.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -98.11 9.16 43.54 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.548 1.139 . . . . 0.0 112.252 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 74.1 m 52.98 48.31 22.71 Favored 'General case' 0 C--N 1.343 0.319 0 C-N-CA 124.402 1.081 . . . . 0.0 110.835 -179.529 -61.527 167.731 81.919 103.845 2.039 103.807 -174.97 -61.985 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -88.18 -42.02 12.59 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 126.255 1.822 . . . . 0.0 110.744 -174.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.0 mp0 -89.51 126.57 35.64 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 -174.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -78.12 146.58 35.07 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 174.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.8 m -125.27 163.59 37.23 Favored Pre-proline 0 CA--C 1.534 0.327 0 C-N-CA 124.615 1.166 . . . . 0.0 108.761 175.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -53.72 108.54 0.28 Allowed 'Trans proline' 0 N--CA 1.455 -0.736 0 C-N-CA 123.479 2.786 . . . . 0.0 115.695 -174.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 55.8 mtt -88.7 -47.95 7.88 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 106.069 -1.826 . . . . 0.0 106.069 173.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -101.72 -163.98 1.06 Allowed 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 128.314 2.646 . . . . 0.0 107.924 174.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.0 m -86.86 63.31 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.341 0.227 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 174.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -62.84 73.06 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 129.43 3.092 . . . . 0.0 111.176 -174.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -174.88 -41.29 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 126.398 1.879 . . . . 0.0 108.479 -174.273 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -83.57 66.91 9.19 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 174.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -63.86 -28.85 70.13 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.73 0.812 . . . . 0.0 110.459 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -64.21 -39.89 94.93 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.498 1.119 . . . . 0.0 110.754 174.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.52 155.05 34.16 Favored 'General case' 0 C--N 1.34 0.192 0 CA-C-O 121.005 0.431 . . . . 0.0 110.194 178.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.9 mp0 -80.23 43.51 0.63 Allowed 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.648 1.179 . . . . 0.0 111.262 -174.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -83.9 -32.94 24.88 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.564 1.145 . . . . 0.0 109.846 174.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 53.7 mt -73.08 -50.24 24.03 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.378 1.071 . . . . 0.0 109.32 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 . . . . . 0 C--O 1.25 1.114 0 CA-C-O 117.307 -1.33 . . . . 0.0 108.748 -179.692 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.4 m . . . . . 0 N--CA 1.476 0.829 0 N-CA-C 111.619 0.229 . . . . 0.0 111.619 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -83.88 151.75 24.93 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.152 0.581 . . . . 0.0 109.773 -177.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 63.6 mt -88.91 87.92 7.4 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.775 0.83 . . . . 0.0 109.058 -178.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.4 p -89.72 136.14 24.43 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.094 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 178.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -64.08 137.11 57.82 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 122.673 0.389 . . . . 0.0 110.455 -174.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 81.3 m -62.61 139.99 58.65 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.584 0.754 . . . . 0.0 110.594 -178.824 -59.177 164.101 -74.015 104.442 2.057 106.63 -67.034 -177.328 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.97 160.5 20.6 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 174.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -53.1 -40.35 64.08 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 -174.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.1 pttm -57.94 -28.54 64.38 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.649 0.78 . . . . 0.0 112.487 175.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -106.4 -18.5 13.97 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.902 1.681 . . . . 0.0 112.909 -178.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.4 ptmm? -64.61 -21.32 66.68 Favored 'General case' 0 C--N 1.342 0.278 0 CA-C-N 120.875 1.67 . . . . 0.0 112.057 -174.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.7 p -75.5 -13.67 60.38 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.463 1.105 . . . . 0.0 112.038 177.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -49.76 -30.6 9.78 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.967 1.307 . . . . 0.0 111.659 175.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 67.9 m -127.0 118.25 24.1 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 175.231 -72.133 148.465 80.99 104.224 2.045 102.654 -178.251 -63.964 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.4 m -95.34 -170.78 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 C-N-CA 124.631 1.172 . . . . 0.0 111.327 -174.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 53.06 47.24 25.03 Favored 'General case' 0 C--N 1.342 0.241 0 C-N-CA 125.457 1.503 . . . . 0.0 111.326 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 68.46 17.4 70.6 Favored Glycine 0 CA--C 1.531 1.04 0 CA-C-O 119.145 -0.808 . . . . 0.0 113.129 -178.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.0 119.5 12.02 Favored Glycine 0 C--N 1.34 0.804 0 CA-C-N 118.497 1.148 . . . . 0.0 110.909 -177.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -79.8 94.61 5.82 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 -174.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.5 t -76.44 128.38 34.69 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 125.016 1.326 . . . . 0.0 111.642 -174.923 -177.328 -67.034 -74.015 106.63 2.057 104.442 164.101 -59.177 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -129.85 168.4 16.65 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 124.838 1.255 . . . . 0.0 107.675 173.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 64.7 ttp -135.89 139.84 43.64 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 124.945 1.298 . . . . 0.0 107.814 -177.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.8 t -84.32 94.13 3.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 -174.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.3 tmtt? -72.07 96.52 1.77 Allowed 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 125.467 1.507 . . . . 0.0 112.066 -174.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -157.44 145.39 19.0 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 125.147 1.379 . . . . 0.0 107.929 173.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 71.5 mt -81.91 68.62 8.36 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.693 0.797 . . . . 0.0 110.308 -174.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 34.0 t -150.37 -57.84 0.18 Allowed 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.755 0.822 . . . . 0.0 109.825 175.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -74.53 154.87 87.67 Favored Pre-proline 0 CA--C 1.535 0.389 0 C-N-CA 123.386 0.675 . . . . 0.0 110.662 -178.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -60.39 -63.04 0.12 Allowed 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 123.065 2.51 . . . . 0.0 110.838 174.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.5 m -172.13 56.54 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 126.972 2.109 . . . . 0.0 107.529 -177.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.6 ptt180 -67.01 127.12 31.36 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 -178.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -90.74 157.64 17.31 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 124.218 1.007 . . . . 0.0 112.814 -174.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -146.31 109.67 4.75 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 105.479 -2.045 . . . . 0.0 105.479 174.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 80.1 m -110.46 117.29 33.16 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.192 0.597 . . . . 0.0 110.857 -174.933 -63.964 -178.251 80.99 102.654 2.045 104.224 148.465 -72.133 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -82.71 83.72 7.57 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 105.676 -1.972 . . . . 0.0 105.676 174.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 72.5 m -75.3 160.89 29.81 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.643 -0.708 . . . . 0.0 112.301 -174.647 -61.985 -174.97 81.919 103.807 2.039 103.845 167.731 -61.527 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -70.74 150.76 95.33 Favored Pre-proline 0 N--CA 1.452 -0.369 0 CA-C-N 115.338 -0.847 . . . . 0.0 109.099 -177.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -65.39 111.9 1.97 Allowed 'Trans proline' 0 N--CA 1.452 -0.963 0 C-N-CA 122.907 2.404 . . . . 0.0 110.194 -176.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 109.99 40.94 1.35 Allowed Glycine 0 CA--C 1.528 0.894 0 C-N-CA 124.879 1.228 . . . . 0.0 112.435 176.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -136.19 154.62 50.89 Favored 'General case' 0 C--N 1.342 0.282 0 C-N-CA 123.954 0.902 . . . . 0.0 110.31 174.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.9 t -148.36 164.32 34.42 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 125.009 1.323 . . . . 0.0 109.867 -179.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.91 159.09 25.49 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 108.811 -1.716 . . . . 0.0 108.811 -174.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.33 -41.76 69.42 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.583 0.753 . . . . 0.0 111.437 -179.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -98.11 9.16 43.54 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.548 1.139 . . . . 0.0 112.252 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 74.1 m 52.98 48.31 22.71 Favored 'General case' 0 C--N 1.343 0.319 0 C-N-CA 124.402 1.081 . . . . 0.0 110.835 -179.529 -61.527 167.731 81.919 103.845 2.039 103.807 -174.97 -61.985 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -88.18 -42.02 12.59 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 126.255 1.822 . . . . 0.0 110.744 -174.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.0 mp0 -89.51 126.57 35.64 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 -174.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -78.12 146.58 35.07 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 174.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.8 m -125.27 163.59 37.23 Favored Pre-proline 0 CA--C 1.534 0.327 0 C-N-CA 124.615 1.166 . . . . 0.0 108.761 175.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -53.72 108.54 0.28 Allowed 'Trans proline' 0 N--CA 1.455 -0.736 0 C-N-CA 123.479 2.786 . . . . 0.0 115.695 -174.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 55.8 mtt -88.7 -47.95 7.88 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 106.069 -1.826 . . . . 0.0 106.069 173.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -101.72 -163.98 1.06 Allowed 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 128.314 2.646 . . . . 0.0 107.924 174.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.0 m -86.86 63.31 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.341 0.227 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 174.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -62.84 73.06 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 129.43 3.092 . . . . 0.0 111.176 -174.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -174.88 -41.29 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 126.398 1.879 . . . . 0.0 108.479 -174.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -83.57 66.91 9.19 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 174.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -63.86 -28.85 70.13 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.73 0.812 . . . . 0.0 110.459 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -64.21 -39.89 94.93 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.498 1.119 . . . . 0.0 110.754 174.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.52 155.05 34.16 Favored 'General case' 0 C--N 1.34 0.192 0 CA-C-O 121.005 0.431 . . . . 0.0 110.194 178.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.9 mp0 -80.23 43.51 0.63 Allowed 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.648 1.179 . . . . 0.0 111.262 -174.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -83.9 -32.94 24.88 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.564 1.145 . . . . 0.0 109.846 174.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 53.7 mt -73.08 -50.24 24.03 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.378 1.071 . . . . 0.0 109.32 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 . . . . . 0 C--O 1.25 1.114 0 CA-C-O 117.307 -1.33 . . . . 0.0 108.748 -179.692 . . . . . . . . 0 0 . 1 stop_ save_