data_2epv_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 2epv _Structure_validation_residue.Date_analyzed 2016-10-07 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 core ' A' A ' 808' ' ' TYR . . . . . 0.531 ' CE1' ' HD3' ' A' ' 820' ' ' LYS . 55.9 m-85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.872 0.367 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 809' ' ' GLU . . . . . 0.412 ' CG ' ' O ' ' A' ' 815' ' ' LYS . 21.7 tt0 -154.33 110.02 3.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 810' ' ' CYS . . . . . 0.402 ' C ' ' O ' ' A' ' 809' ' ' GLU . 13.6 t -37.95 152.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -101.1 -33.71 10.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -60.62 -60.72 3.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 20.8 p -99.53 -49.37 4.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 121.51 14.73 4.75 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.452 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . 0.42 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 39.5 mmtt -56.31 174.41 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.802 0.334 . . . . 0.0 110.844 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 816' ' ' ALA . . . . . . . . . . . . . . . -130.96 146.43 52.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.066 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -151.46 124.81 8.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 21.8 pt -59.96 -28.27 40.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.097 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 9.0 m0 -110.5 156.2 21.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.939 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 820' ' ' LYS . . . . . 0.531 ' HD3' ' CE1' ' A' ' 808' ' ' TYR . 17.5 tptp -71.46 -58.55 3.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.918 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 821' ' ' SER . . . . . . . . . . . . . 19.7 m -41.48 -52.37 3.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.811 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 70.8 mt -46.23 -39.02 9.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 14.4 tp -72.71 -37.65 67.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 824' ' ' ILE . . . . . . . . . . . . . 90.6 mt -63.4 -57.84 10.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.125 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 825' ' ' VAL . . . . . . . . . . . . . 93.9 t -60.06 -9.88 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.159 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 826' ' ' HIS . . . . . 0.42 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 17.3 t60 -95.16 -56.18 2.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -39.18 -36.12 0.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . 0.419 ' NH1' ' HB2' ' A' ' 828' ' ' ARG . 2.8 ptm85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 808' ' ' TYR . . . . . 0.562 ' CE1' ' HB2' ' A' ' 820' ' ' LYS . 20.9 m-85 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.918 0.389 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 809' ' ' GLU . . . . . 0.432 ' CG ' ' O ' ' A' ' 815' ' ' LYS . 11.9 tt0 -143.59 110.1 5.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 810' ' ' CYS . . . . . 0.418 ' C ' ' O ' ' A' ' 809' ' ' GLU . 11.6 t -36.59 151.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.931 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -101.45 -31.35 10.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 812' ' ' GLU . . . . . 0.411 ' C ' ' OE1' ' A' ' 812' ' ' GLU . 1.7 tm-20 -63.89 -58.8 5.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 17.5 p -99.88 -48.8 4.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 119.52 14.97 5.58 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.443 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . 0.432 ' O ' ' CG ' ' A' ' 809' ' ' GLU . 19.3 mmtm -57.27 169.27 0.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.807 0.337 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 816' ' ' ALA . . . . . . . . . . . . . . . -131.42 139.66 49.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.101 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -145.95 127.91 15.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 34.4 pt -58.64 -26.82 32.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.166 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 16.7 m0 -114.72 146.73 40.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.957 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 820' ' ' LYS . . . . . 0.562 ' HB2' ' CE1' ' A' ' 808' ' ' TYR . 18.2 tptm -67.34 -52.48 39.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.898 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 821' ' ' SER . . . . . . . . . . . . . 95.9 p -41.09 -49.87 3.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.827 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 68.0 mt -50.56 -41.92 54.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 24.0 tp -65.84 -35.57 81.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.948 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 824' ' ' ILE . . . . . . . . . . . . . 40.6 mt -64.63 -57.29 11.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 825' ' ' VAL . . . . . . . . . . . . . 23.1 t -63.29 -9.65 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.109 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 826' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -93.82 -57.38 2.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -43.91 -45.15 7.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.896 -179.909 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 808' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.835 0.35 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 809' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -138.08 114.96 10.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 810' ' ' CYS . . . . . . . . . . . . . 29.5 t -44.84 153.3 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -99.99 -29.45 12.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.28 -62.37 1.43 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 22.4 p -97.09 -48.32 5.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 118.85 15.83 5.61 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.441 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . 0.556 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 14.0 mmmt -53.09 173.83 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.769 0.318 . . . . 0.0 110.886 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 816' ' ' ALA . . . . . . . . . . . . . . . -135.42 139.67 44.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.102 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -144.54 149.92 36.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 19.7 pt -83.42 -25.12 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 15.3 m0 -118.55 144.81 45.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.932 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 19.4 tptp -60.66 -50.22 74.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 821' ' ' SER . . . . . . . . . . . . . 57.6 p -45.22 -50.33 11.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 75.3 mt -50.71 -41.03 55.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 15.4 tp -66.28 -40.66 90.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 824' ' ' ILE . . . . . . . . . . . . . 59.6 mt -60.21 -60.11 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 825' ' ' VAL . . . . . . . . . . . . . 4.9 t -55.82 -13.39 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.112 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 826' ' ' HIS . . . . . 0.556 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 30.8 t60 -91.59 -59.13 2.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 827' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 826' ' ' HIS . 41.4 mt-10 -36.29 -43.17 0.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.919 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 808' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.825 0.345 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 809' ' ' GLU . . . . . 0.457 ' CG ' ' O ' ' A' ' 815' ' ' LYS . 12.2 tt0 -144.32 114.16 7.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.873 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 810' ' ' CYS . . . . . . . . . . . . . 49.4 t -39.02 152.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -103.81 -24.57 13.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -71.4 -54.45 10.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 20.6 p -104.84 -49.1 3.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.861 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 122.6 13.54 4.64 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.477 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . 0.549 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 2.3 mmmp? -54.65 168.39 0.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.841 0.353 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 816' ' ' ALA . . . . . . . . . . . . . . . -129.1 140.58 51.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -147.38 134.83 20.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 10.7 pt -72.7 -19.98 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 819' ' ' TRP . . . . . 0.423 ' HB2' ' CD1' ' A' ' 822' ' ' LEU . 7.3 m0 -117.7 149.44 40.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -68.39 -54.53 16.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 821' ' ' SER . . . . . . . . . . . . . 51.2 m -44.33 -46.01 9.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 822' ' ' LEU . . . . . 0.423 ' CD1' ' HB2' ' A' ' 819' ' ' TRP . 78.4 mt -54.13 -37.47 64.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 15.7 tp -70.24 -33.64 71.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 824' ' ' ILE . . . . . . . . . . . . . 44.1 mt -66.7 -61.44 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 825' ' ' VAL . . . . . . . . . . . . . 44.8 t -54.47 -14.49 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.112 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 826' ' ' HIS . . . . . 0.549 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 37.2 t60 -92.97 -55.32 3.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -48.6 -22.79 0.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.832 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 5.0 ptt-85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -179.919 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 808' ' ' TYR . . . . . 0.506 ' CZ ' ' HB2' ' A' ' 820' ' ' LYS . 4.0 m-85 . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.894 0.378 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 809' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 810' ' ' CYS . 8.0 tt0 -166.09 107.78 0.73 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.885 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 810' ' ' CYS . . . . . 0.434 ' C ' ' O ' ' A' ' 809' ' ' GLU . 17.5 t -35.42 152.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.849 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -103.97 -36.04 7.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.97 -53.14 61.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 19.7 p -108.04 -49.53 3.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 122.85 14.14 4.32 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.487 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . 0.568 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 31.9 mmtm -55.33 163.89 1.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.785 0.326 . . . . 0.0 110.875 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 816' ' ' ALA . . . . . . . . . . . . . . . -126.74 142.54 51.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -147.49 128.26 14.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 19.0 pt -61.78 -29.12 45.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.085 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 10.4 m0 -110.17 155.39 22.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 820' ' ' LYS . . . . . 0.506 ' HB2' ' CZ ' ' A' ' 808' ' ' TYR . 19.3 tptm -71.25 -59.56 2.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 821' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 820' ' ' LYS . 23.5 m -37.78 -54.51 1.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.819 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 53.4 mt -46.5 -39.98 11.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 823' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 820' ' ' LYS . 57.7 tp -68.18 -35.04 77.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.946 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 824' ' ' ILE . . . . . . . . . . . . . 56.3 mt -67.33 -57.21 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 825' ' ' VAL . . . . . . . . . . . . . 61.7 t -55.61 -14.09 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.169 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 826' ' ' HIS . . . . . 0.568 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 25.7 t60 -96.28 -54.18 3.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.823 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -41.07 -29.93 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.939 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 808' ' ' TYR . . . . . 0.526 ' CE1' ' HD3' ' A' ' 820' ' ' LYS . 13.4 m-85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.777 0.323 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 809' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -151.23 110.74 3.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 810' ' ' CYS . . . . . . . . . . . . . 15.0 t -39.02 159.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -109.9 -32.46 7.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -63.59 -46.3 86.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 12.1 p -114.36 -48.82 2.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 121.25 12.9 5.54 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.47 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . 0.511 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 31.0 mmtt -52.65 167.9 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.783 0.325 . . . . 0.0 110.91 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 816' ' ' ALA . . . . . . . . . . . . . . . -133.19 130.61 39.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.098 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 817' ' ' PHE . . . . . 0.402 ' CD1' ' N ' ' A' ' 817' ' ' PHE . 2.8 m-85 -134.36 134.03 41.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 23.9 pt -65.68 -23.75 33.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.137 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 13.4 m0 -115.98 156.47 26.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 820' ' ' LYS . . . . . 0.526 ' HD3' ' CE1' ' A' ' 808' ' ' TYR . 17.8 tptm -72.33 -56.73 5.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 821' ' ' SER . . . . . . . . . . . . . 1.9 m -40.24 -54.38 2.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 70.0 mt -45.93 -41.99 12.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.944 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 44.4 tp -67.33 -35.18 78.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.972 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 824' ' ' ILE . . . . . . . . . . . . . 39.5 mt -68.8 -53.75 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 825' ' ' VAL . . . . . . . . . . . . . 91.3 t -64.49 -8.51 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 826' ' ' HIS . . . . . 0.511 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 13.4 t60 -95.68 -56.38 2.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -40.92 -40.48 1.39 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 31.9 ptt180 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.945 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 808' ' ' TYR . . . . . 0.542 ' CE2' ' HD3' ' A' ' 820' ' ' LYS . 43.2 m-85 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.825 0.345 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 809' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -136.69 114.43 11.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 810' ' ' CYS . . . . . . . . . . . . . 8.3 t -41.9 153.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 -101.53 -33.67 9.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -63.04 -62.29 1.81 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 20.2 p -97.74 -48.51 5.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 121.26 14.41 4.98 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.457 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.55 175.81 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.803 0.335 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 816' ' ' ALA . . . . . . . . . . . . . . . -136.64 141.41 43.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.099 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -145.45 140.62 27.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 13.2 pt -74.12 -24.78 19.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.157 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 819' ' ' TRP . . . . . 0.425 ' HB2' ' CD1' ' A' ' 822' ' ' LEU . 9.1 m0 -113.92 146.46 40.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 820' ' ' LYS . . . . . 0.542 ' HD3' ' CE2' ' A' ' 808' ' ' TYR . 38.1 tptt -64.73 -58.82 5.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 821' ' ' SER . . . . . . . . . . . . . 19.9 m -41.24 -49.2 3.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 822' ' ' LEU . . . . . 0.425 ' CD1' ' HB2' ' A' ' 819' ' ' TRP . 93.6 mt -50.26 -40.75 48.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.935 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 16.0 tp -67.25 -35.87 80.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.939 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 824' ' ' ILE . . . . . . . . . . . . . 61.1 mt -63.54 -63.24 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 825' ' ' VAL . . . . . 0.465 ' HA ' ' NE ' ' A' ' 828' ' ' ARG . 97.6 t -52.39 -16.11 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.142 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 826' ' ' HIS . . . . . 0.407 ' O ' ' C ' ' A' ' 827' ' ' GLU . 35.3 t60 -90.02 -60.23 1.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 827' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 826' ' ' HIS . 26.4 mt-10 -37.98 -46.17 0.96 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . 0.465 ' NE ' ' HA ' ' A' ' 825' ' ' VAL . 10.2 ptp180 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 808' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.886 0.374 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 809' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -132.6 113.29 12.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 810' ' ' CYS . . . . . . . . . . . . . 49.3 t -41.36 156.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -106.31 -33.6 7.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -59.54 -51.99 67.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 16.7 p -113.0 -48.22 2.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 126.38 9.05 4.68 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.507 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . 0.563 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 19.2 mmtm -50.21 171.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.787 0.327 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 816' ' ' ALA . . . . . 0.459 ' C ' ' CG ' ' A' ' 817' ' ' PHE . . . -132.1 152.76 51.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.079 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 817' ' ' PHE . . . . . 0.459 ' CG ' ' C ' ' A' ' 816' ' ' ALA . 3.7 m-85 -158.96 130.73 6.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 15.6 pt -71.27 -19.29 20.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.079 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 819' ' ' TRP . . . . . 0.466 ' HB2' ' CD1' ' A' ' 822' ' ' LEU . 8.6 m0 -117.65 133.57 55.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -55.06 -56.32 21.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 821' ' ' SER . . . . . . . . . . . . . 55.8 p -40.37 -47.62 2.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 822' ' ' LEU . . . . . 0.466 ' CD1' ' HB2' ' A' ' 819' ' ' TRP . 65.6 mt -54.21 -43.33 70.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 15.7 tp -61.97 -35.15 77.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 824' ' ' ILE . . . . . . . . . . . . . 20.0 mt -66.23 -63.64 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.098 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 825' ' ' VAL . . . . . 0.425 ' C ' ' HG2' ' A' ' 828' ' ' ARG . 11.1 t -49.0 -20.14 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 826' ' ' HIS . . . . . 0.563 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 47.1 t60 -89.29 -61.68 1.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -45.12 -21.57 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . 0.425 ' HG2' ' C ' ' A' ' 825' ' ' VAL . 2.4 ptp180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 808' ' ' TYR . . . . . 0.501 ' CE1' ' HD3' ' A' ' 820' ' ' LYS . 21.1 m-85 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.815 0.341 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 809' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -148.9 114.51 5.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 810' ' ' CYS . . . . . . . . . . . . . 15.9 t -45.14 156.37 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.932 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -104.77 -34.4 8.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.68 -51.16 70.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 13.1 p -110.72 -49.47 3.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 121.74 16.31 4.15 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.458 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . 0.494 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 5.8 mmpt? -55.63 173.85 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 110.906 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 816' ' ' ALA . . . . . . . . . . . . . . . -133.1 143.52 49.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.102 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -146.6 137.51 24.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 10.3 pt -71.91 -21.35 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.107 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 9.2 m0 -118.25 160.34 21.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.953 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 820' ' ' LYS . . . . . 0.501 ' HD3' ' CE1' ' A' ' 808' ' ' TYR . 19.3 tptm -73.77 -56.15 5.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 821' ' ' SER . . . . . . . . . . . . . 30.4 p -41.92 -51.52 4.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 60.5 mt -47.26 -35.86 8.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.95 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 13.1 tp -76.12 -34.51 59.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 824' ' ' ILE . . . . . . . . . . . . . 83.1 mt -68.12 -51.56 47.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 825' ' ' VAL . . . . . . . . . . . . . 4.6 t -66.96 -11.27 13.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.141 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 826' ' ' HIS . . . . . 0.494 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 30.2 t60 -94.9 -57.86 2.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -42.41 -26.77 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.917 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 808' ' ' TYR . . . . . 0.419 ' CZ ' ' HB2' ' A' ' 820' ' ' LYS . 32.5 m-85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.823 0.344 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 809' ' ' GLU . . . . . 0.477 ' CG ' ' O ' ' A' ' 815' ' ' LYS . 12.0 tt0 -138.57 108.85 6.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 810' ' ' CYS . . . . . . . . . . . . . 13.4 t -39.04 151.95 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.927 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -100.21 -32.29 10.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -61.85 -59.35 5.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 10.4 p -100.47 -50.86 3.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 121.5 18.5 3.67 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . 0.534 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 18.2 mmtp -57.44 174.9 0.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.827 0.346 . . . . 0.0 110.91 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 816' ' ' ALA . . . . . . . . . . . . . . . -140.04 138.1 35.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.115 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -148.51 142.2 25.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 818' ' ' ILE . . . . . 0.454 HG13 ' N ' ' A' ' 819' ' ' TRP . 27.9 pt -73.75 -35.41 43.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.09 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 819' ' ' TRP . . . . . 0.454 ' N ' HG13 ' A' ' 818' ' ' ILE . 9.7 m0 -102.49 135.74 43.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 820' ' ' LYS . . . . . 0.419 ' HB2' ' CZ ' ' A' ' 808' ' ' TYR . 15.8 tptm -56.57 -55.98 27.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.874 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 821' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 820' ' ' LYS . 44.9 p -38.5 -53.43 1.56 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.86 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 56.2 mt -47.2 -43.82 21.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.938 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 17.0 tp -65.07 -37.16 86.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 824' ' ' ILE . . . . . . . . . . . . . 66.9 mt -64.27 -59.05 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.125 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 825' ' ' VAL . . . . . . . . . . . . . 92.4 t -58.38 -11.53 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.124 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 826' ' ' HIS . . . . . 0.534 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 10.4 t60 -92.42 -60.28 1.87 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.825 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -41.15 -44.21 2.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.882 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 -179.938 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 808' ' ' TYR . . . . . 0.567 ' CE1' ' HB2' ' A' ' 820' ' ' LYS . 44.0 m-85 . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.902 0.382 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 809' ' ' GLU . . . . . 0.439 ' CG ' ' O ' ' A' ' 815' ' ' LYS . 18.1 tt0 -137.83 119.28 14.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.857 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 810' ' ' CYS . . . . . . . . . . . . . 38.2 t -51.02 156.81 0.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -101.47 -33.8 9.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -62.75 -60.83 2.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 12.4 p -98.87 -50.43 4.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 122.06 13.0 5.1 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.503 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . 0.566 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 31.5 mmtt -50.24 176.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.331 . . . . 0.0 110.897 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 816' ' ' ALA . . . . . . . . . . . . . . . -144.51 129.01 18.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.135 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -136.54 149.89 48.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 20.4 pt -78.73 -27.99 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 12.5 m0 -111.44 131.88 54.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 820' ' ' LYS . . . . . 0.567 ' HB2' ' CE1' ' A' ' 808' ' ' TYR . 23.0 tptm -53.11 -47.43 68.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.901 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 821' ' ' SER . . . . . . . . . . . . . 90.6 p -46.36 -53.04 11.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.893 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 69.6 mt -48.51 -39.57 23.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.961 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 13.5 tp -70.11 -33.41 71.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 824' ' ' ILE . . . . . . . . . . . . . 77.8 mt -67.81 -57.39 9.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 825' ' ' VAL . . . . . . . . . . . . . 59.7 t -61.46 -10.07 3.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 826' ' ' HIS . . . . . 0.566 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 6.4 t60 -96.3 -56.14 2.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.811 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -39.95 -35.64 0.38 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.916 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 808' ' ' TYR . . . . . 0.479 ' CE1' ' HE2' ' A' ' 820' ' ' LYS . 14.2 m-85 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.871 0.367 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 809' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 810' ' ' CYS . 15.0 tt0 -145.73 107.99 4.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.873 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 810' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 809' ' ' GLU . 17.6 t -35.79 153.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -104.42 -33.04 8.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -60.45 -50.82 72.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.961 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 19.5 p -111.32 -49.05 3.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 122.91 13.3 4.57 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.498 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . 0.536 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 22.1 mmmt -53.78 174.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.796 0.331 . . . . 0.0 110.887 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 816' ' ' ALA . . . . . . . . . . . . . . . -136.38 140.05 42.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.115 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -147.92 123.43 10.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 18.5 pt -56.97 -27.24 26.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 11.3 m0 -109.68 157.31 19.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 820' ' ' LYS . . . . . 0.479 ' HE2' ' CE1' ' A' ' 808' ' ' TYR . 13.5 tppt? -76.01 -50.32 15.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 821' ' ' SER . . . . . . . . . . . . . 38.9 m -44.91 -54.3 6.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 40.4 mt -48.73 -37.59 19.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 13.9 tp -72.3 -32.59 66.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 824' ' ' ILE . . . . . . . . . . . . . 92.1 mt -68.37 -58.05 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 825' ' ' VAL . . . . . . . . . . . . . 3.7 t -60.56 -10.31 2.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 826' ' ' HIS . . . . . 0.536 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 27.4 t60 -96.61 -58.83 1.95 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -40.72 -37.79 0.81 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.901 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 808' ' ' TYR . . . . . 0.56 ' CE1' ' HB2' ' A' ' 820' ' ' LYS . 18.9 m-85 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.852 0.358 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 809' ' ' GLU . . . . . 0.472 ' CG ' ' O ' ' A' ' 815' ' ' LYS . 12.5 tt0 -152.78 118.19 5.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 810' ' ' CYS . . . . . 0.453 ' HA ' ' CD1' ' A' ' 823' ' ' LEU . 13.9 t -44.52 155.34 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -102.49 -36.92 8.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -60.68 -61.57 2.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 20.9 p -96.84 -48.21 5.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 119.64 14.93 5.54 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.475 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . 0.531 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 1.8 mmpt? -50.89 166.21 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.827 0.346 . . . . 0.0 110.875 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 816' ' ' ALA . . . . . . . . . . . . . . . -128.83 124.63 35.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.073 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -128.54 149.06 50.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 41.4 pt -79.35 -33.43 15.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.139 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 17.6 m0 -111.07 147.45 34.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 820' ' ' LYS . . . . . 0.56 ' HB2' ' CE1' ' A' ' 808' ' ' TYR . 32.1 tptt -60.15 -62.19 2.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 821' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 820' ' ' LYS . 90.8 p -35.3 -53.48 0.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 78.1 mt -45.77 -43.94 13.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 823' ' ' LEU . . . . . 0.453 ' CD1' ' HA ' ' A' ' 810' ' ' CYS . 16.5 tp -65.25 -35.31 80.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 824' ' ' ILE . . . . . . . . . . . . . 83.9 mt -65.86 -59.12 4.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 825' ' ' VAL . . . . . . . . . . . . . 20.6 t -57.61 -12.03 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 826' ' ' HIS . . . . . 0.531 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 26.0 t60 -94.58 -58.46 2.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -38.87 -39.32 0.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . 0.416 ' NH1' ' HB2' ' A' ' 828' ' ' ARG . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 808' ' ' TYR . . . . . 0.496 ' CE1' ' HD3' ' A' ' 820' ' ' LYS . 26.3 m-85 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.883 0.373 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 809' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' A' ' 815' ' ' LYS . 15.8 tt0 -154.75 107.5 2.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 810' ' ' CYS . . . . . 0.446 ' C ' ' O ' ' A' ' 809' ' ' GLU . 8.0 t -34.37 151.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -104.74 -27.99 11.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -68.58 -47.59 66.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 24.4 p -111.14 -45.6 3.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 117.22 14.48 7.05 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.49 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . 0.56 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 24.8 mmtt -55.93 176.39 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.784 0.326 . . . . 0.0 110.903 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 816' ' ' ALA . . . . . 0.535 ' C ' ' CD1' ' A' ' 817' ' ' PHE . . . -134.31 152.31 51.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.097 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 817' ' ' PHE . . . . . 0.535 ' CD1' ' C ' ' A' ' 816' ' ' ALA . 6.3 m-85 -159.85 139.1 11.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.922 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 19.1 pt -74.64 -26.25 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.121 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 8.4 m0 -110.77 152.57 26.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 820' ' ' LYS . . . . . 0.496 ' HD3' ' CE1' ' A' ' 808' ' ' TYR . 55.1 tptt -70.91 -52.35 20.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 821' ' ' SER . . . . . . . . . . . . . 5.1 m -46.22 -52.17 12.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 77.1 mt -46.15 -38.9 8.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 16.5 tp -71.46 -49.69 38.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 824' ' ' ILE . . . . . . . . . . . . . 85.9 mt -48.23 -59.17 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 825' ' ' VAL . . . . . . . . . . . . . 12.1 t -58.3 -19.85 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.085 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 826' ' ' HIS . . . . . 0.56 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 30.4 t60 -89.72 -27.78 19.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -74.24 -30.63 62.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 18.2 ptt180 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.912 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 808' ' ' TYR . . . . . 0.492 ' CE1' ' HD3' ' A' ' 820' ' ' LYS . 48.9 m-85 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.819 0.342 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 809' ' ' GLU . . . . . 0.422 ' CG ' ' O ' ' A' ' 815' ' ' LYS . 12.5 tt0 -138.01 111.2 7.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.939 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 810' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 809' ' ' GLU . 8.6 t -37.84 153.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -104.9 -32.39 8.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -62.56 -49.49 75.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 14.2 p -111.33 -49.54 3.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.864 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 120.84 16.66 4.42 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.438 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . 0.422 ' O ' ' CG ' ' A' ' 809' ' ' GLU . 4.2 mmpt? -56.51 175.7 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.804 0.335 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 816' ' ' ALA . . . . . . . . . . . . . . . -136.63 139.57 42.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.137 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -146.66 141.19 26.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.863 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 30.7 pt -76.31 -30.98 20.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.109 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 11.6 m0 -108.6 137.03 47.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 820' ' ' LYS . . . . . 0.492 ' HD3' ' CE1' ' A' ' 808' ' ' TYR . 56.1 tptt -58.79 -50.83 72.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 821' ' ' SER . . . . . . . . . . . . . 16.4 p -44.17 -42.26 6.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 72.3 mt -58.99 -42.21 89.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 21.9 tp -63.3 -34.44 77.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.96 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 824' ' ' ILE . . . . . . . . . . . . . 21.0 mt -65.5 -64.75 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.163 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 825' ' ' VAL . . . . . . . . . . . . . 16.9 t -50.36 -18.87 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 826' ' ' HIS . . . . . 0.431 ' O ' ' C ' ' A' ' 827' ' ' GLU . 39.2 t60 -88.32 -59.71 2.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 827' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 826' ' ' HIS . 32.2 mt-10 -36.04 -44.69 0.39 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.944 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 808' ' ' TYR . . . . . 0.469 ' CE1' ' HB2' ' A' ' 820' ' ' LYS . 52.9 m-85 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.854 0.359 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 809' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -128.83 118.78 23.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 810' ' ' CYS . . . . . . . . . . . . . 34.1 t -48.53 154.76 0.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -101.57 -29.88 11.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.921 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -67.63 -61.13 2.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 20.9 p -98.46 -46.55 5.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 117.61 14.86 6.63 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.505 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . 0.515 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 45.6 mmtt -53.76 175.02 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.769 0.318 . . . . 0.0 110.941 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 816' ' ' ALA . . . . . . . . . . . . . . . -138.83 139.44 38.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.125 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -145.72 141.65 28.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 37.8 pt -71.63 -30.77 39.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.078 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 20.2 m0 -113.14 145.94 40.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.927 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 820' ' ' LYS . . . . . 0.469 ' HB2' ' CE1' ' A' ' 808' ' ' TYR . 10.6 tppt? -64.24 -48.35 76.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.867 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 821' ' ' SER . . . . . . . . . . . . . 96.1 p -45.98 -44.08 14.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.805 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 54.0 mt -58.13 -35.64 71.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 26.7 tp -72.1 -33.39 67.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.927 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 824' ' ' ILE . . . . . . . . . . . . . 80.3 mt -64.9 -60.05 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 825' ' ' VAL . . . . . . . . . . . . . 91.4 t -58.83 -11.0 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.088 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 826' ' ' HIS . . . . . 0.515 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 30.7 t60 -93.8 -55.63 3.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -41.01 -39.97 1.31 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 41.7 ptt85 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.913 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 808' ' ' TYR . . . . . 0.472 ' CZ ' ' HB2' ' A' ' 820' ' ' LYS . 32.4 m-85 . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.846 0.355 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 809' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -150.62 111.14 4.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.941 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 810' ' ' CYS . . . . . . . . . . . . . 32.6 t -41.51 156.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 17.8 t30 -103.83 -31.44 9.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -67.51 -57.13 7.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 23.1 p -100.24 -47.04 5.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 114.36 17.25 7.23 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.464 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . 0.473 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 2.3 mmpt? -55.09 176.7 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.737 0.303 . . . . 0.0 110.927 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 816' ' ' ALA . . . . . . . . . . . . . . . -141.48 134.66 29.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.13 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -139.67 144.93 37.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 28.1 pt -74.09 -25.91 20.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.126 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 18.1 m0 -115.93 152.48 33.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 820' ' ' LYS . . . . . 0.472 ' HB2' ' CZ ' ' A' ' 808' ' ' TYR . 32.1 tptt -67.49 -58.53 4.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 821' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 820' ' ' LYS . 26.2 m -37.61 -50.16 1.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 78.6 mt -49.58 -42.07 43.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 823' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 820' ' ' LYS . 12.6 tp -67.07 -37.76 84.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 824' ' ' ILE . . . . . . . . . . . . . 79.4 mt -64.02 -60.83 2.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.112 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 825' ' ' VAL . . . . . 0.454 HG12 ' NE ' ' A' ' 828' ' ' ARG . 14.1 t -60.36 -9.51 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 826' ' ' HIS . . . . . 0.473 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 11.4 t60 -93.2 -59.34 2.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -44.17 -39.54 4.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . 0.454 ' NE ' HG12 ' A' ' 825' ' ' VAL . 17.6 ptt180 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 808' ' ' TYR . . . . . 0.495 ' CE1' ' HE3' ' A' ' 820' ' ' LYS . 5.2 m-85 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.84 0.353 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 809' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 810' ' ' CYS . 10.3 tt0 -146.58 107.5 4.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 810' ' ' CYS . . . . . 0.422 ' C ' ' O ' ' A' ' 809' ' ' GLU . 23.0 t -36.03 152.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.917 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -105.62 -28.43 10.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -66.8 -47.34 72.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.845 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 21.7 p -113.22 -45.42 3.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 118.06 13.6 7.02 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.491 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . 0.555 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 16.4 mmtm -54.32 173.42 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.766 0.317 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 816' ' ' ALA . . . . . . . . . . . . . . . -138.08 133.17 33.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.136 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -135.67 149.31 49.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.85 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 24.7 pt -82.15 -26.18 9.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.143 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 819' ' ' TRP . . . . . 0.444 ' HB2' ' CD1' ' A' ' 822' ' ' LEU . 11.8 m0 -115.67 149.38 38.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 820' ' ' LYS . . . . . 0.495 ' HE3' ' CE1' ' A' ' 808' ' ' TYR . 3.0 tppp? -66.94 -53.35 32.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 821' ' ' SER . . . . . . . . . . . . . 91.6 p -46.07 -36.83 6.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 822' ' ' LEU . . . . . 0.444 ' CD1' ' HB2' ' A' ' 819' ' ' TRP . 76.4 mt -65.34 -35.87 82.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.907 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 23.0 tp -72.62 -28.64 62.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 824' ' ' ILE . . . . . . . . . . . . . 40.0 mt -70.66 -57.52 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 825' ' ' VAL . . . . . . . . . . . . . 57.9 t -58.75 -13.09 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 826' ' ' HIS . . . . . 0.555 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 35.4 t60 -96.56 -54.96 3.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -47.57 -33.68 6.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.909 -179.93 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 808' ' ' TYR . . . . . 0.515 ' CZ ' ' HB2' ' A' ' 820' ' ' LYS . 16.3 m-85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.857 0.36 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 809' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 810' ' ' CYS . 10.5 tt0 -152.13 107.82 3.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 810' ' ' CYS . . . . . 0.433 ' C ' ' O ' ' A' ' 809' ' ' GLU . 14.6 t -35.45 152.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -103.56 -35.96 8.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -58.7 -55.49 34.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 19.7 p -105.63 -49.17 3.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 122.86 14.0 4.36 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.476 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . 0.565 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 18.1 mmmt -51.92 165.86 0.18 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.82 0.343 . . . . 0.0 110.865 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 816' ' ' ALA . . . . . . . . . . . . . . . -128.92 140.69 51.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 817' ' ' PHE . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 815' ' ' LYS . 6.2 m-85 -147.03 140.85 25.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 9.2 pt -78.3 -23.44 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.132 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 7.3 m0 -114.87 144.26 43.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 820' ' ' LYS . . . . . 0.515 ' HB2' ' CZ ' ' A' ' 808' ' ' TYR . 16.9 tptm -62.52 -56.07 21.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 821' ' ' SER . . . . . . . . . . . . . 76.3 p -40.73 -51.11 3.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 71.4 mt -49.62 -40.92 40.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.936 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 17.8 tp -68.08 -32.26 72.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 824' ' ' ILE . . . . . . . . . . . . . 70.1 mt -69.88 -47.43 69.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 825' ' ' VAL . . . . . . . . . . . . . 23.9 t -65.59 -18.13 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.107 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 826' ' ' HIS . . . . . 0.565 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 39.1 t60 -92.45 -47.65 7.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -44.88 -30.71 1.04 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.939 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 808' ' ' TYR . . . . . 0.448 ' CZ ' ' HB2' ' A' ' 820' ' ' LYS . 23.3 m-85 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.84 0.352 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 809' ' ' GLU . . . . . 0.429 ' CG ' ' O ' ' A' ' 815' ' ' LYS . 20.9 tt0 -150.86 112.91 4.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.925 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 810' ' ' CYS . . . . . . . . . . . . . 12.9 t -39.53 153.52 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -104.12 -35.14 8.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -60.49 -52.13 66.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 9.8 p -107.07 -49.63 3.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.84 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 122.45 11.53 5.54 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.468 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . 0.429 ' O ' ' CG ' ' A' ' 809' ' ' GLU . 0.0 OUTLIER -55.08 172.0 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.79 0.328 . . . . 0.0 110.873 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 816' ' ' ALA . . . . . . . . . . . . . . . -133.2 133.77 43.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.115 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -134.38 132.51 39.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 11.0 pt -67.06 -25.36 33.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.087 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 7.8 m0 -114.85 144.38 43.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 820' ' ' LYS . . . . . 0.448 ' HB2' ' CZ ' ' A' ' 808' ' ' TYR . 20.4 tptm -60.76 -60.62 3.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.884 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 821' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 820' ' ' LYS . 50.4 m -37.61 -52.65 1.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 76.9 mt -46.67 -41.28 14.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 823' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 820' ' ' LYS . 11.6 tp -68.89 -36.44 78.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 824' ' ' ILE . . . . . . . . . . . . . 67.3 mt -64.1 -59.63 3.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.165 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 825' ' ' VAL . . . . . 0.468 ' HA ' ' NE ' ' A' ' 828' ' ' ARG . 83.1 t -60.35 -9.65 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.117 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 826' ' ' HIS . . . . . 0.424 ' O ' ' C ' ' A' ' 827' ' ' GLU . 38.4 t60 -94.88 -64.04 1.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 827' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 826' ' ' HIS . 59.7 mt-10 -36.37 -39.06 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . 0.468 ' NE ' ' HA ' ' A' ' 825' ' ' VAL . 9.5 ptp180 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 42.7 m -100.1 86.85 3.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.901 0.382 . . . . 0.0 110.862 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 798' ' ' SER . . . . . . . . . . . . . 46.7 t -84.05 42.42 0.87 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . -81.02 -67.28 1.55 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.436 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 6.5 t 69.73 42.73 1.04 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.873 0.368 . . . . 0.0 110.89 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 801' ' ' SER . . . . . . . . . . . . . 1.4 t -154.36 156.76 37.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.894 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 802' ' ' GLY . . . . . . . . . . . . . . . 133.18 113.91 1.48 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.458 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 86.9 p -71.84 153.18 42.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.945 0.402 . . . . 0.0 110.818 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 170.1 37.46 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.511 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -108.71 33.61 4.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.891 0.377 . . . . 0.0 110.876 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 806' ' ' LYS . . . . . 0.457 ' HD3' ' N ' ' A' ' 806' ' ' LYS . 0.0 OUTLIER -105.59 143.18 26.3 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.573 0.702 . . . . 0.0 110.914 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 807' ' ' PRO . . . . . 0.485 ' HG2' ' CD2' ' A' ' 808' ' ' TYR . 53.9 Cg_endo -69.72 -16.98 38.0 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.675 2.25 . . . . 0.0 112.382 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 808' ' ' TYR . . . . . 0.531 ' CE1' ' HD3' ' A' ' 820' ' ' LYS . 55.9 m-85 -125.73 145.0 50.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 809' ' ' GLU . . . . . 0.412 ' CG ' ' O ' ' A' ' 815' ' ' LYS . 21.7 tt0 -154.33 110.02 3.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 810' ' ' CYS . . . . . 0.402 ' C ' ' O ' ' A' ' 809' ' ' GLU . 13.6 t -37.95 152.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -101.1 -33.71 10.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 812' ' ' GLU . . . . . 0.436 ' HB2' ' CD2' ' A' ' 830' ' ' HIS . 57.5 mm-40 -60.62 -60.72 3.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.873 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 20.8 p -99.53 -49.37 4.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 121.51 14.73 4.75 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.452 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . 0.42 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 39.5 mmtt -56.31 174.41 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.802 0.334 . . . . 0.0 110.844 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 816' ' ' ALA . . . . . . . . . . . . . . . -130.96 146.43 52.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.066 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -151.46 124.81 8.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 21.8 pt -59.96 -28.27 40.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.097 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 9.0 m0 -110.5 156.2 21.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.939 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 820' ' ' LYS . . . . . 0.531 ' HD3' ' CE1' ' A' ' 808' ' ' TYR . 17.5 tptp -71.46 -58.55 3.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.918 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 821' ' ' SER . . . . . . . . . . . . . 19.7 m -41.48 -52.37 3.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.811 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 70.8 mt -46.23 -39.02 9.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 14.4 tp -72.71 -37.65 67.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 824' ' ' ILE . . . . . . . . . . . . . 90.6 mt -63.4 -57.84 10.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.125 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 825' ' ' VAL . . . . . . . . . . . . . 93.9 t -60.06 -9.88 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.159 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 826' ' ' HIS . . . . . 0.42 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 17.3 t60 -95.16 -56.18 2.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -39.18 -36.12 0.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . 0.494 ' O ' ' N ' ' A' ' 830' ' ' HIS . 2.8 ptm85 -54.94 -45.09 74.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 829' ' ' THR . . . . . . . . . . . . . 52.8 p -38.39 -26.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.09 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 830' ' ' HIS . . . . . 0.494 ' N ' ' O ' ' A' ' 828' ' ' ARG . 90.3 m-70 -89.43 43.5 1.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.841 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -128.21 81.42 2.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.103 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 832' ' ' GLY . . . . . . . . . . . . . . . 40.59 54.88 3.32 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.527 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 11.9 p -77.81 -30.39 16.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.856 0.36 . . . . 0.0 111.131 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 95.8 p -140.56 167.68 21.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.835 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 835' ' ' GLY . . . . . . . . . . . . . . . -91.99 -167.5 40.16 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.487 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 836' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 91.54 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.694 2.263 . . . . 0.0 112.326 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 837' ' ' SER . . . . . . . . . . . . . 2.8 m -90.69 41.68 1.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.871 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 838' ' ' SER . . . . . . . . . . . . . 3.3 t -167.18 169.68 12.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 839' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.464 179.988 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 54.9 p -173.87 164.61 4.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.895 0.379 . . . . 0.0 110.83 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 798' ' ' SER . . . . . . . . . . . . . 78.7 p -109.39 117.46 34.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.842 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . 73.85 91.54 0.14 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.518 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 75.8 p -74.32 129.81 38.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.885 0.374 . . . . 0.0 110.869 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 801' ' ' SER . . . . . . . . . . . . . 3.3 m -139.73 160.38 40.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 802' ' ' GLY . . . . . . . . . . . . . . . -110.72 -116.16 3.67 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.485 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 4.8 m -157.62 132.54 8.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.964 0.411 . . . . 0.0 110.897 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 69.25 170.4 6.98 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -113.94 24.0 12.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.908 0.385 . . . . 0.0 110.911 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 806' ' ' LYS . . . . . 0.409 ' HE3' ' CB ' ' A' ' 816' ' ' ALA . 0.0 OUTLIER -47.75 143.24 6.18 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.588 0.708 . . . . 0.0 110.916 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 807' ' ' PRO . . . . . 0.548 ' HG2' ' CD2' ' A' ' 808' ' ' TYR . 53.2 Cg_endo -69.76 -40.89 4.79 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.701 2.267 . . . . 0.0 112.352 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 808' ' ' TYR . . . . . 0.562 ' CE1' ' HB2' ' A' ' 820' ' ' LYS . 20.9 m-85 -100.1 131.94 45.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 809' ' ' GLU . . . . . 0.432 ' CG ' ' O ' ' A' ' 815' ' ' LYS . 11.9 tt0 -143.59 110.1 5.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 810' ' ' CYS . . . . . 0.418 ' C ' ' O ' ' A' ' 809' ' ' GLU . 11.6 t -36.59 151.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.931 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -101.45 -31.35 10.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 812' ' ' GLU . . . . . 0.482 ' HG3' ' CG ' ' A' ' 830' ' ' HIS . 1.7 tm-20 -63.89 -58.8 5.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 17.5 p -99.88 -48.8 4.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 119.52 14.97 5.58 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.443 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . 0.432 ' O ' ' CG ' ' A' ' 809' ' ' GLU . 19.3 mmtm -57.27 169.27 0.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.807 0.337 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 816' ' ' ALA . . . . . 0.409 ' CB ' ' HE3' ' A' ' 806' ' ' LYS . . . -131.42 139.66 49.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.101 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -145.95 127.91 15.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 34.4 pt -58.64 -26.82 32.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.166 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 16.7 m0 -114.72 146.73 40.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.957 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 820' ' ' LYS . . . . . 0.562 ' HB2' ' CE1' ' A' ' 808' ' ' TYR . 18.2 tptm -67.34 -52.48 39.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.898 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 821' ' ' SER . . . . . . . . . . . . . 95.9 p -41.09 -49.87 3.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.827 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 68.0 mt -50.56 -41.92 54.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 24.0 tp -65.84 -35.57 81.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.948 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 824' ' ' ILE . . . . . . . . . . . . . 40.6 mt -64.63 -57.29 11.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 825' ' ' VAL . . . . . . . . . . . . . 23.1 t -63.29 -9.65 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.109 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 826' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -93.82 -57.38 2.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -43.91 -45.15 7.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -44.04 -37.37 2.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.896 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 829' ' ' THR . . . . . . . . . . . . . 70.1 p -48.07 -49.38 31.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.11 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 830' ' ' HIS . . . . . 0.482 ' CG ' ' HG3' ' A' ' 812' ' ' GLU . 96.0 m-70 -57.37 -23.65 50.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.833 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -85.16 44.71 1.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.068 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 832' ' ' GLY . . . . . . . . . . . . . . . -110.63 -48.96 0.71 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.463 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 32.7 m -97.65 156.98 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.856 0.36 . . . . 0.0 111.125 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 1.1 t -113.26 -61.94 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 835' ' ' GLY . . . . . . . . . . . . . . . 96.32 146.24 20.55 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.445 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 836' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.76 -17.38 37.6 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.653 2.235 . . . . 0.0 112.316 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 837' ' ' SER . . . . . . . . . . . . . 38.0 p -46.16 -61.08 1.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 838' ' ' SER . . . . . . . . . . . . . 40.4 t -126.18 133.6 51.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 839' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.473 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 74.4 p 39.43 42.19 0.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.87 0.367 . . . . 0.0 110.851 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 798' ' ' SER . . . . . . . . . . . . . 30.3 t -88.88 166.39 14.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . 133.87 -72.18 0.48 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.472 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 2.4 t -46.48 132.71 10.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.846 0.355 . . . . 0.0 110.907 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 801' ' ' SER . . . . . . . . . . . . . 73.1 m -92.61 85.28 5.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.839 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 802' ' ' GLY . . . . . . . . . . . . . . . 49.28 -144.98 7.85 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.467 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 77.6 p -86.39 151.23 23.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.879 0.371 . . . . 0.0 110.891 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 104.78 170.01 24.41 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.469 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -160.36 162.56 33.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.939 0.399 . . . . 0.0 110.88 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 806' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -67.91 143.02 96.01 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.585 0.707 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 807' ' ' PRO . . . . . 0.522 ' HG2' ' CD2' ' A' ' 808' ' ' TYR . 53.6 Cg_endo -69.86 -25.81 27.76 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.668 2.246 . . . . 0.0 112.324 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 808' ' ' TYR . . . . . 0.522 ' CD2' ' HG2' ' A' ' 807' ' ' PRO . 42.7 m-85 -113.14 130.15 56.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.911 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 809' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -138.08 114.96 10.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 810' ' ' CYS . . . . . . . . . . . . . 29.5 t -44.84 153.3 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -99.99 -29.45 12.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.28 -62.37 1.43 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 22.4 p -97.09 -48.32 5.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 118.85 15.83 5.61 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.441 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . 0.556 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 14.0 mmmt -53.09 173.83 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.769 0.318 . . . . 0.0 110.886 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 816' ' ' ALA . . . . . . . . . . . . . . . -135.42 139.67 44.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.102 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -144.54 149.92 36.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 19.7 pt -83.42 -25.12 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 15.3 m0 -118.55 144.81 45.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.932 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 19.4 tptp -60.66 -50.22 74.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 821' ' ' SER . . . . . . . . . . . . . 57.6 p -45.22 -50.33 11.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 75.3 mt -50.71 -41.03 55.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 15.4 tp -66.28 -40.66 90.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 824' ' ' ILE . . . . . . . . . . . . . 59.6 mt -60.21 -60.11 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 825' ' ' VAL . . . . . . . . . . . . . 4.9 t -55.82 -13.39 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.112 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 826' ' ' HIS . . . . . 0.556 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 30.8 t60 -91.59 -59.13 2.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 827' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 826' ' ' HIS . 41.4 mt-10 -36.29 -43.17 0.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . 0.429 ' CG ' ' N ' ' A' ' 829' ' ' THR . 6.9 ptm180 -48.03 -47.02 33.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 829' ' ' THR . . . . . 0.429 ' N ' ' CG ' ' A' ' 828' ' ' ARG . 73.6 p -39.16 -37.67 0.42 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 830' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -81.91 40.42 0.61 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -122.17 111.33 16.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.143 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 832' ' ' GLY . . . . . . . . . . . . . . . 137.4 -66.56 0.54 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.48 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 2.5 p -133.82 137.45 52.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.806 0.336 . . . . 0.0 111.152 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 4.3 m -113.97 110.4 20.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.815 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 835' ' ' GLY . . . . . . . . . . . . . . . -78.11 -93.2 0.28 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.489 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 836' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 124.78 11.42 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.712 2.275 . . . . 0.0 112.336 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 837' ' ' SER . . . . . . . . . . . . . 44.5 t -101.36 118.5 37.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.874 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 838' ' ' SER . . . . . . . . . . . . . 17.4 t -131.82 128.0 37.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.857 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 839' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.475 -179.962 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 4.0 m -128.53 113.72 15.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.871 0.367 . . . . 0.0 110.886 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 798' ' ' SER . . . . . . . . . . . . . 90.8 p -132.63 174.0 10.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . 160.4 69.16 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.484 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 65.6 p -85.21 102.02 12.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.893 0.378 . . . . 0.0 110.837 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 801' ' ' SER . . . . . . . . . . . . . 5.6 t -117.87 95.68 5.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 802' ' ' GLY . . . . . . . . . . . . . . . 79.96 96.55 0.33 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.536 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 50.9 m -104.22 41.53 1.3 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.896 0.379 . . . . 0.0 110.859 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 148.56 65.94 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.51 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -128.97 44.27 3.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.915 0.388 . . . . 0.0 110.9 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 806' ' ' LYS . . . . . . . . . . . . . 8.7 mptt -119.51 143.3 34.34 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.563 0.697 . . . . 0.0 110.92 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 807' ' ' PRO . . . . . 0.55 ' HG2' ' CD2' ' A' ' 808' ' ' TYR . 53.9 Cg_endo -69.81 -17.29 37.44 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.684 2.256 . . . . 0.0 112.307 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 808' ' ' TYR . . . . . 0.55 ' CD2' ' HG2' ' A' ' 807' ' ' PRO . 19.6 m-85 -120.17 131.21 54.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.927 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 809' ' ' GLU . . . . . 0.457 ' CG ' ' O ' ' A' ' 815' ' ' LYS . 12.2 tt0 -144.32 114.16 7.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.873 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 810' ' ' CYS . . . . . . . . . . . . . 49.4 t -39.02 152.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -103.81 -24.57 13.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 812' ' ' GLU . . . . . 0.509 ' HG2' ' CG ' ' A' ' 830' ' ' HIS . 4.7 tp10 -71.4 -54.45 10.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 20.6 p -104.84 -49.1 3.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.861 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 122.6 13.54 4.64 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.477 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . 0.549 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 2.3 mmmp? -54.65 168.39 0.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.841 0.353 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 816' ' ' ALA . . . . . . . . . . . . . . . -129.1 140.58 51.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -147.38 134.83 20.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 10.7 pt -72.7 -19.98 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 819' ' ' TRP . . . . . 0.423 ' HB2' ' CD1' ' A' ' 822' ' ' LEU . 7.3 m0 -117.7 149.44 40.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -68.39 -54.53 16.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 821' ' ' SER . . . . . . . . . . . . . 51.2 m -44.33 -46.01 9.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 822' ' ' LEU . . . . . 0.423 ' CD1' ' HB2' ' A' ' 819' ' ' TRP . 78.4 mt -54.13 -37.47 64.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 15.7 tp -70.24 -33.64 71.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 824' ' ' ILE . . . . . . . . . . . . . 44.1 mt -66.7 -61.44 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 825' ' ' VAL . . . . . . . . . . . . . 44.8 t -54.47 -14.49 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.112 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 826' ' ' HIS . . . . . 0.549 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 37.2 t60 -92.97 -55.32 3.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -48.6 -22.79 0.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.832 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 5.0 ptt-85 -64.63 -41.77 95.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 829' ' ' THR . . . . . . . . . . . . . 10.8 t -54.5 -22.74 13.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.187 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 830' ' ' HIS . . . . . 0.509 ' CG ' ' HG2' ' A' ' 812' ' ' GLU . 87.5 m-70 -83.81 35.1 0.51 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -108.59 45.27 1.04 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 832' ' ' GLY . . . . . . . . . . . . . . . 139.75 -138.72 9.39 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.51 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 27.3 t -45.44 141.76 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.874 0.369 . . . . 0.0 111.122 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 2.2 t -52.97 -54.56 33.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 835' ' ' GLY . . . . . . . . . . . . . . . -119.99 144.08 17.14 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.467 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 836' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -3.9 12.94 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.67 2.246 . . . . 0.0 112.348 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 837' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 838' ' ' SER . 2.3 m -75.41 -45.84 36.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 838' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 837' ' ' SER . 33.2 m -35.04 140.65 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.847 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 839' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.53 -179.987 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 4.1 m -156.6 164.79 37.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.844 0.354 . . . . 0.0 110.852 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 798' ' ' SER . . . . . . . . . . . . . 2.3 m -125.3 126.84 45.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.857 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . -166.4 113.56 0.55 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.513 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 10.5 m -164.77 140.35 5.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.867 0.365 . . . . 0.0 110.88 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 801' ' ' SER . . . . . . . . . . . . . 6.6 t -172.33 172.09 4.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 802' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 803' ' ' SER . . . -176.35 92.02 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.516 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 803' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 802' ' ' GLY . 71.1 p -35.71 116.21 0.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.894 0.378 . . . . 0.0 110.844 -179.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 69.92 143.19 0.18 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.532 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -79.29 142.01 36.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.904 0.383 . . . . 0.0 110.854 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 806' ' ' LYS . . . . . . . . . . . . . 25.9 mmtm -79.95 141.74 55.21 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.587 0.708 . . . . 0.0 110.917 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 807' ' ' PRO . . . . . 0.544 ' HG2' ' CD2' ' A' ' 808' ' ' TYR . 53.6 Cg_endo -69.78 -48.57 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.703 2.269 . . . . 0.0 112.284 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 808' ' ' TYR . . . . . 0.544 ' CD2' ' HG2' ' A' ' 807' ' ' PRO . 4.0 m-85 -101.82 161.11 13.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.929 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 809' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 810' ' ' CYS . 8.0 tt0 -166.09 107.78 0.73 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.885 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 810' ' ' CYS . . . . . 0.434 ' C ' ' O ' ' A' ' 809' ' ' GLU . 17.5 t -35.42 152.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.849 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -103.97 -36.04 7.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 812' ' ' GLU . . . . . 0.504 ' HG3' ' CG ' ' A' ' 830' ' ' HIS . 0.1 OUTLIER -56.97 -53.14 61.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 19.7 p -108.04 -49.53 3.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 122.85 14.14 4.32 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.487 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . 0.568 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 31.9 mmtm -55.33 163.89 1.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.785 0.326 . . . . 0.0 110.875 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 816' ' ' ALA . . . . . . . . . . . . . . . -126.74 142.54 51.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -147.49 128.26 14.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 19.0 pt -61.78 -29.12 45.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.085 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 10.4 m0 -110.17 155.39 22.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 820' ' ' LYS . . . . . 0.506 ' HB2' ' CZ ' ' A' ' 808' ' ' TYR . 19.3 tptm -71.25 -59.56 2.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 821' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 820' ' ' LYS . 23.5 m -37.78 -54.51 1.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.819 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 53.4 mt -46.5 -39.98 11.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 823' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 820' ' ' LYS . 57.7 tp -68.18 -35.04 77.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.946 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 824' ' ' ILE . . . . . . . . . . . . . 56.3 mt -67.33 -57.21 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 825' ' ' VAL . . . . . . . . . . . . . 61.7 t -55.61 -14.09 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.169 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 826' ' ' HIS . . . . . 0.568 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 25.7 t60 -96.28 -54.18 3.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.823 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -41.07 -29.93 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . 0.412 ' O ' ' N ' ' A' ' 830' ' ' HIS . 9.0 ptm180 -68.67 -41.55 79.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 829' ' ' THR . . . . . 0.465 HG23 ' N ' ' A' ' 830' ' ' HIS . 6.3 t -43.69 -22.43 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.115 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 830' ' ' HIS . . . . . 0.504 ' CG ' ' HG3' ' A' ' 812' ' ' GLU . 97.8 m-70 -88.36 39.49 0.91 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -125.44 87.99 2.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 832' ' ' GLY . . . . . . . . . . . . . . . -171.39 -111.3 0.25 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 30.8 m -115.37 131.89 66.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.828 0.347 . . . . 0.0 111.161 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 53.8 p -131.17 147.72 52.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.835 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 835' ' ' GLY . . . . . . . . . . . . . . . -158.88 -67.69 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.489 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 836' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 2.83 3.17 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.674 2.249 . . . . 0.0 112.389 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 837' ' ' SER . . . . . . . . . . . . . 26.2 m -114.58 137.04 52.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.838 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 838' ' ' SER . . . . . . . . . . . . . 33.5 t -153.88 121.47 5.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 839' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.46 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 15.3 m -81.16 97.17 7.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.913 0.387 . . . . 0.0 110.853 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 798' ' ' SER . . . . . . . . . . . . . 38.6 t -63.59 136.54 57.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.901 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . 173.31 -132.42 2.33 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.454 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 3.2 t -117.33 88.05 2.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.891 0.377 . . . . 0.0 110.852 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 801' ' ' SER . . . . . . . . . . . . . 7.1 m -119.63 104.23 10.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.831 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 802' ' ' GLY . . . . . . . . . . . . . . . 113.1 51.21 0.52 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.474 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 3.4 m -102.07 172.53 6.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.904 0.383 . . . . 0.0 110.875 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 114.62 48.26 0.55 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.533 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -112.71 42.76 1.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.904 0.383 . . . . 0.0 110.872 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 806' ' ' LYS . . . . . 0.447 ' HD2' ' N ' ' A' ' 806' ' ' LYS . 7.8 mptt -121.89 142.91 37.3 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.604 0.716 . . . . 0.0 110.901 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 807' ' ' PRO . . . . . 0.526 ' HG2' ' CD2' ' A' ' 808' ' ' TYR . 53.8 Cg_endo -69.81 -50.17 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.666 2.244 . . . . 0.0 112.337 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 808' ' ' TYR . . . . . 0.526 ' CD2' ' HG2' ' A' ' 807' ' ' PRO . 13.4 m-85 -93.98 146.16 24.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.956 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 809' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -151.23 110.74 3.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 810' ' ' CYS . . . . . . . . . . . . . 15.0 t -39.02 159.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -109.9 -32.46 7.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 812' ' ' GLU . . . . . 0.47 ' HB2' ' CD2' ' A' ' 830' ' ' HIS . 2.0 mp0 -63.59 -46.3 86.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 12.1 p -114.36 -48.82 2.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 121.25 12.9 5.54 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.47 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . 0.511 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 31.0 mmtt -52.65 167.9 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.783 0.325 . . . . 0.0 110.91 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 816' ' ' ALA . . . . . . . . . . . . . . . -133.19 130.61 39.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.098 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 817' ' ' PHE . . . . . 0.402 ' CD1' ' N ' ' A' ' 817' ' ' PHE . 2.8 m-85 -134.36 134.03 41.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 23.9 pt -65.68 -23.75 33.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.137 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 13.4 m0 -115.98 156.47 26.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 820' ' ' LYS . . . . . 0.526 ' HD3' ' CE1' ' A' ' 808' ' ' TYR . 17.8 tptm -72.33 -56.73 5.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 821' ' ' SER . . . . . . . . . . . . . 1.9 m -40.24 -54.38 2.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 70.0 mt -45.93 -41.99 12.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.944 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 44.4 tp -67.33 -35.18 78.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.972 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 824' ' ' ILE . . . . . . . . . . . . . 39.5 mt -68.8 -53.75 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 825' ' ' VAL . . . . . . . . . . . . . 91.3 t -64.49 -8.51 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 826' ' ' HIS . . . . . 0.511 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 13.4 t60 -95.68 -56.38 2.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -40.92 -40.48 1.39 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 31.9 ptt180 -47.58 -44.19 26.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 829' ' ' THR . . . . . . . . . . . . . 62.5 p -41.27 -47.43 3.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.154 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 830' ' ' HIS . . . . . 0.47 ' CD2' ' HB2' ' A' ' 812' ' ' GLU . 99.3 m-70 -58.37 -46.09 87.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.812 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -38.61 -44.88 1.02 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.098 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 832' ' ' GLY . . . . . . . . . . . . . . . -61.0 141.96 48.38 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.483 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 12.3 p -86.49 119.18 34.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.827 0.346 . . . . 0.0 111.118 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 26.9 t -109.68 41.45 1.68 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.796 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 835' ' ' GLY . . . . . . . . . . . . . . . -177.58 166.77 37.36 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.443 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 836' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -49.49 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.639 2.226 . . . . 0.0 112.322 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 837' ' ' SER . . . . . . . . . . . . . 50.1 m -113.8 -45.92 3.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.856 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 838' ' ' SER . . . . . . . . . . . . . 34.7 t -59.44 135.26 57.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.847 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 839' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.461 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 56.0 p -58.12 -45.13 87.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.911 0.386 . . . . 0.0 110.894 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 798' ' ' SER . . . . . . . . . . . . . 3.1 m -55.82 95.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.847 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . -140.12 42.28 1.23 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.496 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 30.6 p -57.14 -54.96 40.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.867 0.365 . . . . 0.0 110.848 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 801' ' ' SER . . . . . . . . . . . . . 8.5 t -122.63 169.28 11.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 802' ' ' GLY . . . . . . . . . . . . . . . -56.0 -102.37 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.468 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 52.0 p -68.05 -44.25 76.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.847 0.355 . . . . 0.0 110.826 -179.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 67.16 -115.31 7.06 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.499 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 39.08 50.51 1.82 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.873 0.368 . . . . 0.0 110.938 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 806' ' ' LYS . . . . . 0.465 ' CG ' HG22 ' A' ' 818' ' ' ILE . 0.2 OUTLIER -44.4 143.26 2.06 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.57 0.7 . . . . 0.0 110.891 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 807' ' ' PRO . . . . . 0.559 ' HG2' ' CD1' ' A' ' 808' ' ' TYR . 53.6 Cg_endo -69.72 -43.32 2.76 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.689 2.259 . . . . 0.0 112.345 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 808' ' ' TYR . . . . . 0.559 ' CD1' ' HG2' ' A' ' 807' ' ' PRO . 43.2 m-85 -83.64 128.19 34.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.936 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 809' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -136.69 114.43 11.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 810' ' ' CYS . . . . . . . . . . . . . 8.3 t -41.9 153.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 -101.53 -33.67 9.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -63.04 -62.29 1.81 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 20.2 p -97.74 -48.51 5.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 121.26 14.41 4.98 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.457 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.55 175.81 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.803 0.335 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 816' ' ' ALA . . . . . . . . . . . . . . . -136.64 141.41 43.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.099 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -145.45 140.62 27.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 818' ' ' ILE . . . . . 0.465 HG22 ' CG ' ' A' ' 806' ' ' LYS . 13.2 pt -74.12 -24.78 19.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.157 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 819' ' ' TRP . . . . . 0.425 ' HB2' ' CD1' ' A' ' 822' ' ' LEU . 9.1 m0 -113.92 146.46 40.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 820' ' ' LYS . . . . . 0.542 ' HD3' ' CE2' ' A' ' 808' ' ' TYR . 38.1 tptt -64.73 -58.82 5.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 821' ' ' SER . . . . . . . . . . . . . 19.9 m -41.24 -49.2 3.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 822' ' ' LEU . . . . . 0.425 ' CD1' ' HB2' ' A' ' 819' ' ' TRP . 93.6 mt -50.26 -40.75 48.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.935 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 16.0 tp -67.25 -35.87 80.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.939 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 824' ' ' ILE . . . . . . . . . . . . . 61.1 mt -63.54 -63.24 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 825' ' ' VAL . . . . . 0.465 ' HA ' ' NE ' ' A' ' 828' ' ' ARG . 97.6 t -52.39 -16.11 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.142 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 826' ' ' HIS . . . . . 0.408 ' O ' ' N ' ' A' ' 829' ' ' THR . 35.3 t60 -90.02 -60.23 1.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 827' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 826' ' ' HIS . 26.4 mt-10 -37.98 -46.17 0.96 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . 0.465 ' NE ' ' HA ' ' A' ' 825' ' ' VAL . 10.2 ptp180 -49.62 -44.05 47.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 829' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 826' ' ' HIS . 55.8 p -39.07 -35.52 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 830' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -78.85 47.23 0.74 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -136.49 145.39 45.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 832' ' ' GLY . . . . . . . . . . . . . . . 110.07 -41.12 2.32 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.471 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 833' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 834' ' ' SER . 98.8 t -45.74 112.69 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.797 0.332 . . . . 0.0 111.153 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 834' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 833' ' ' VAL . 32.7 t -34.68 -67.67 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 835' ' ' GLY . . . . . . . . . . . . . . . 177.25 146.23 6.11 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.505 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 836' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 837' ' ' SER . 53.3 Cg_endo -69.79 0.36 5.78 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.653 2.235 . . . . 0.0 112.344 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 837' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 836' ' ' PRO . 4.0 m -34.7 -66.19 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 838' ' ' SER . . . . . . . . . . . . . 29.5 p -48.26 137.25 11.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.843 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 839' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.474 -179.996 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 32.3 t -74.44 124.45 26.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.899 0.38 . . . . 0.0 110.857 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 798' ' ' SER . . . . . . . . . . . . . 97.2 p -41.55 -47.35 3.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.844 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . -177.07 159.24 25.48 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.441 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 43.4 m -75.56 166.91 22.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.906 0.384 . . . . 0.0 110.826 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 801' ' ' SER . . . . . . . . . . . . . 75.1 m -76.69 84.78 3.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.873 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 802' ' ' GLY . . . . . . . . . . . . . . . -111.88 141.42 16.65 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.456 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 88.0 p -92.74 42.53 1.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.94 0.4 . . . . 0.0 110.858 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 149.24 176.22 22.31 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.521 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -75.04 160.72 30.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.964 0.412 . . . . 0.0 110.865 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 806' ' ' LYS . . . . . 0.447 ' HD2' ' N ' ' A' ' 806' ' ' LYS . 10.8 mptt -104.7 143.23 26.28 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.561 0.695 . . . . 0.0 110.914 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 807' ' ' PRO . . . . . 0.543 ' HG2' ' CD2' ' A' ' 808' ' ' TYR . 53.1 Cg_endo -69.77 -14.56 36.23 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.676 2.251 . . . . 0.0 112.324 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 808' ' ' TYR . . . . . 0.543 ' CD2' ' HG2' ' A' ' 807' ' ' PRO . 37.2 m-85 -120.55 123.65 43.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 809' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -132.6 113.29 12.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 810' ' ' CYS . . . . . . . . . . . . . 49.3 t -41.36 156.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -106.31 -33.6 7.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 812' ' ' GLU . . . . . 0.563 ' HB3' ' CE1' ' A' ' 830' ' ' HIS . 16.5 mm-40 -59.54 -51.99 67.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 16.7 p -113.0 -48.22 2.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 126.38 9.05 4.68 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.507 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . 0.563 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 19.2 mmtm -50.21 171.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.787 0.327 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 816' ' ' ALA . . . . . 0.459 ' C ' ' CG ' ' A' ' 817' ' ' PHE . . . -132.1 152.76 51.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.079 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 817' ' ' PHE . . . . . 0.459 ' CG ' ' C ' ' A' ' 816' ' ' ALA . 3.7 m-85 -158.96 130.73 6.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 15.6 pt -71.27 -19.29 20.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.079 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 819' ' ' TRP . . . . . 0.466 ' HB2' ' CD1' ' A' ' 822' ' ' LEU . 8.6 m0 -117.65 133.57 55.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -55.06 -56.32 21.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 821' ' ' SER . . . . . . . . . . . . . 55.8 p -40.37 -47.62 2.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 822' ' ' LEU . . . . . 0.466 ' CD1' ' HB2' ' A' ' 819' ' ' TRP . 65.6 mt -54.21 -43.33 70.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 15.7 tp -61.97 -35.15 77.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 824' ' ' ILE . . . . . . . . . . . . . 20.0 mt -66.23 -63.64 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.098 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 825' ' ' VAL . . . . . 0.425 ' C ' ' HG2' ' A' ' 828' ' ' ARG . 11.1 t -49.0 -20.14 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 826' ' ' HIS . . . . . 0.563 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 47.1 t60 -89.29 -61.68 1.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -45.12 -21.57 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . 0.457 ' HG3' ' N ' ' A' ' 829' ' ' THR . 2.4 ptp180 -81.75 -35.95 29.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 829' ' ' THR . . . . . 0.457 ' N ' ' HG3' ' A' ' 828' ' ' ARG . 1.1 t -56.37 -34.54 66.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.177 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 830' ' ' HIS . . . . . 0.563 ' CE1' ' HB3' ' A' ' 812' ' ' GLU . 25.0 m-70 -49.91 -43.24 49.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -54.13 117.39 3.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 832' ' ' GLY . . . . . . . . . . . . . . . 159.79 57.95 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.51 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 833' ' ' VAL . . . . . 0.428 HG23 ' N ' ' A' ' 834' ' ' SER . 30.3 m -39.37 -41.98 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.826 0.346 . . . . 0.0 111.139 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 834' ' ' SER . . . . . 0.428 ' N ' HG23 ' A' ' 833' ' ' VAL . 22.4 m 51.95 43.3 30.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.833 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 835' ' ' GLY . . . . . . . . . . . . . . . -145.32 153.3 25.18 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 836' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 115.36 4.06 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.732 2.288 . . . . 0.0 112.342 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 837' ' ' SER . . . . . . . . . . . . . 87.6 p -47.81 141.26 5.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.83 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 838' ' ' SER . . . . . . . . . . . . . 52.2 p -85.31 127.51 34.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 839' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.467 179.99 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 77.4 p -145.31 125.72 13.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.895 0.379 . . . . 0.0 110.844 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 798' ' ' SER . . . . . . . . . . . . . 1.1 t -158.26 141.14 14.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.873 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . 159.41 -124.0 1.3 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.464 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 87.6 p 45.06 41.62 5.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.871 0.367 . . . . 0.0 110.836 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 801' ' ' SER . . . . . . . . . . . . . 68.8 m -69.99 93.02 0.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 802' ' ' GLY . . . . . . . . . . . . . . . 57.56 81.55 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.517 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 34.7 p -38.43 -48.81 1.41 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.869 0.366 . . . . 0.0 110.847 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . -177.46 88.96 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.476 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -100.65 4.7 43.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.932 0.396 . . . . 0.0 110.914 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 806' ' ' LYS . . . . . 0.436 ' HD3' ' N ' ' A' ' 806' ' ' LYS . 1.8 mppt? -70.01 141.16 89.03 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.621 0.724 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 807' ' ' PRO . . . . . 0.553 ' HG2' ' CD2' ' A' ' 808' ' ' TYR . 53.8 Cg_endo -69.77 -44.18 2.22 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.7 2.267 . . . . 0.0 112.348 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 808' ' ' TYR . . . . . 0.553 ' CD2' ' HG2' ' A' ' 807' ' ' PRO . 21.1 m-85 -95.68 142.04 28.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.907 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 809' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -148.9 114.51 5.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 810' ' ' CYS . . . . . . . . . . . . . 15.9 t -45.14 156.37 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.932 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -104.77 -34.4 8.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.68 -51.16 70.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 13.1 p -110.72 -49.47 3.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 121.74 16.31 4.15 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.458 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . 0.494 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 5.8 mmpt? -55.63 173.85 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 110.906 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 816' ' ' ALA . . . . . . . . . . . . . . . -133.1 143.52 49.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.102 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -146.6 137.51 24.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 10.3 pt -71.91 -21.35 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.107 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 9.2 m0 -118.25 160.34 21.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.953 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 820' ' ' LYS . . . . . 0.501 ' HD3' ' CE1' ' A' ' 808' ' ' TYR . 19.3 tptm -73.77 -56.15 5.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 821' ' ' SER . . . . . . . . . . . . . 30.4 p -41.92 -51.52 4.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 60.5 mt -47.26 -35.86 8.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.95 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 13.1 tp -76.12 -34.51 59.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 824' ' ' ILE . . . . . . . . . . . . . 83.1 mt -68.12 -51.56 47.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 825' ' ' VAL . . . . . . . . . . . . . 4.6 t -66.96 -11.27 13.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.141 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 826' ' ' HIS . . . . . 0.494 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 30.2 t60 -94.9 -57.86 2.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -42.41 -26.77 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . 0.43 ' HG3' ' N ' ' A' ' 829' ' ' THR . 11.3 ptm180 -83.58 -34.65 25.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 829' ' ' THR . . . . . 0.487 ' N ' ' O ' ' A' ' 826' ' ' HIS . 6.1 t -51.26 -17.95 0.83 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 830' ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -71.37 -43.87 66.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -47.14 -53.59 12.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 832' ' ' GLY . . . . . . . . . . . . . . . -79.16 -106.79 0.22 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.503 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 31.9 m -144.81 164.51 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.88 0.371 . . . . 0.0 111.099 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 34.9 t -122.09 -49.6 2.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 835' ' ' GLY . . . . . . . . . . . . . . . -146.32 169.51 27.59 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.466 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 836' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 167.81 23.34 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.711 2.274 . . . . 0.0 112.336 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 837' ' ' SER . . . . . . . . . . . . . 53.9 p -47.45 149.2 1.16 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 838' ' ' SER . . . . . . . . . . . . . 4.0 t -74.21 -54.35 7.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 839' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.466 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.433 -0.267 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 64.7 p -67.55 149.04 50.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.862 0.363 . . . . 0.0 110.863 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 798' ' ' SER . . . . . . . . . . . . . 93.6 p -60.02 168.28 1.94 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.851 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . 91.96 42.36 4.72 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.522 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 78.4 p 42.36 42.5 2.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.89 0.376 . . . . 0.0 110.861 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 801' ' ' SER . . . . . . . . . . . . . 53.6 p -51.73 149.63 4.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 802' ' ' GLY . . . . . . . . . . . . . . . 174.22 99.67 0.12 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.492 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 20.0 t -56.63 164.15 1.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.857 0.361 . . . . 0.0 110.879 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . -45.36 146.35 2.29 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.502 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 21.7 mp0 -77.9 130.42 36.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.94 0.4 . . . . 0.0 110.884 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 806' ' ' LYS . . . . . 0.459 ' HG3' ' CB ' ' A' ' 816' ' ' ALA . 30.3 mmtm -64.52 140.98 98.14 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.549 0.69 . . . . 0.0 110.908 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 807' ' ' PRO . . . . . 0.494 ' HG2' ' CD2' ' A' ' 808' ' ' TYR . 53.4 Cg_endo -69.78 -30.97 21.34 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.657 2.238 . . . . 0.0 112.291 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 808' ' ' TYR . . . . . 0.494 ' CD2' ' HG2' ' A' ' 807' ' ' PRO . 32.5 m-85 -115.67 130.58 56.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 809' ' ' GLU . . . . . 0.477 ' CG ' ' O ' ' A' ' 815' ' ' LYS . 12.0 tt0 -138.57 108.85 6.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 810' ' ' CYS . . . . . . . . . . . . . 13.4 t -39.04 151.95 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.927 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -100.21 -32.29 10.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 812' ' ' GLU . . . . . 0.471 ' HG2' ' CG ' ' A' ' 830' ' ' HIS . 12.7 tp10 -61.85 -59.35 5.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 10.4 p -100.47 -50.86 3.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 121.5 18.5 3.67 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . 0.534 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 18.2 mmtp -57.44 174.9 0.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.827 0.346 . . . . 0.0 110.91 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 816' ' ' ALA . . . . . 0.459 ' CB ' ' HG3' ' A' ' 806' ' ' LYS . . . -140.04 138.1 35.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.115 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -148.51 142.2 25.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 818' ' ' ILE . . . . . 0.454 HG13 ' N ' ' A' ' 819' ' ' TRP . 27.9 pt -73.75 -35.41 43.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.09 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 819' ' ' TRP . . . . . 0.454 ' N ' HG13 ' A' ' 818' ' ' ILE . 9.7 m0 -102.49 135.74 43.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 820' ' ' LYS . . . . . 0.419 ' HB2' ' CZ ' ' A' ' 808' ' ' TYR . 15.8 tptm -56.57 -55.98 27.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.874 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 821' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 820' ' ' LYS . 44.9 p -38.5 -53.43 1.56 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.86 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 56.2 mt -47.2 -43.82 21.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.938 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 17.0 tp -65.07 -37.16 86.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 824' ' ' ILE . . . . . . . . . . . . . 66.9 mt -64.27 -59.05 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.125 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 825' ' ' VAL . . . . . . . . . . . . . 92.4 t -58.38 -11.53 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.124 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 826' ' ' HIS . . . . . 0.534 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 10.4 t60 -92.42 -60.28 1.87 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.825 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -41.15 -44.21 2.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.882 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . 0.407 ' HG3' ' N ' ' A' ' 829' ' ' THR . 6.3 ptm180 -45.39 -41.67 9.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 829' ' ' THR . . . . . 0.407 ' N ' ' HG3' ' A' ' 828' ' ' ARG . 78.6 p -43.5 -50.5 7.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 830' ' ' HIS . . . . . 0.471 ' CG ' ' HG2' ' A' ' 812' ' ' GLU . 95.1 m-70 -52.51 -47.61 66.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -43.29 114.45 0.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 832' ' ' GLY . . . . . . . . . . . . . . . 156.92 157.04 8.15 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.462 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 33.8 m -121.35 40.58 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.866 0.365 . . . . 0.0 111.145 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 6.9 t -142.81 142.59 31.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 835' ' ' GLY . . . . . . . . . . . . . . . -136.69 -176.87 14.6 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.486 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 836' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 160.1 50.97 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.709 2.272 . . . . 0.0 112.385 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 837' ' ' SER . . . . . . . . . . . . . 33.5 t -55.17 134.6 49.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.849 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 838' ' ' SER . . . . . . . . . . . . . 61.0 p -113.09 42.26 1.94 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 839' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.515 -179.993 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 98.7 p -87.65 153.47 21.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.881 0.372 . . . . 0.0 110.844 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 798' ' ' SER . . . . . . . . . . . . . 10.4 t -120.47 86.1 2.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . -154.63 40.71 0.63 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.447 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 800' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 801' ' ' SER . 2.6 t -61.93 135.65 57.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.853 0.358 . . . . 0.0 110.879 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 801' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 800' ' ' SER . 8.8 t -36.59 151.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 802' ' ' GLY . . . . . . . . . . . . . . . 174.88 -47.44 0.13 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.486 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 3.5 m -121.96 107.36 12.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 0.0 110.876 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 135.52 49.43 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.426 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 805' ' ' GLU . . . . . 0.4 ' OE2' ' O ' ' A' ' 806' ' ' LYS . 1.9 tm-20 -110.3 113.53 26.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.902 0.382 . . . . 0.0 110.911 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 806' ' ' LYS . . . . . 0.4 ' O ' ' OE2' ' A' ' 805' ' ' GLU . 40.9 mmtm -87.95 142.09 31.93 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.589 0.709 . . . . 0.0 110.896 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 807' ' ' PRO . . . . . 0.561 ' HG2' ' CD2' ' A' ' 808' ' ' TYR . 53.6 Cg_endo -69.74 -24.02 30.24 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.683 2.255 . . . . 0.0 112.335 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 808' ' ' TYR . . . . . 0.567 ' CE1' ' HB2' ' A' ' 820' ' ' LYS . 44.0 m-85 -114.39 130.61 56.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 809' ' ' GLU . . . . . 0.439 ' CG ' ' O ' ' A' ' 815' ' ' LYS . 18.1 tt0 -137.83 119.28 14.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.857 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 810' ' ' CYS . . . . . . . . . . . . . 38.2 t -51.02 156.81 0.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -101.47 -33.8 9.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -62.75 -60.83 2.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 12.4 p -98.87 -50.43 4.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 122.06 13.0 5.1 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.503 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . 0.566 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 31.5 mmtt -50.24 176.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.331 . . . . 0.0 110.897 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 816' ' ' ALA . . . . . . . . . . . . . . . -144.51 129.01 18.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.135 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -136.54 149.89 48.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 20.4 pt -78.73 -27.99 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 12.5 m0 -111.44 131.88 54.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 820' ' ' LYS . . . . . 0.567 ' HB2' ' CE1' ' A' ' 808' ' ' TYR . 23.0 tptm -53.11 -47.43 68.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.901 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 821' ' ' SER . . . . . . . . . . . . . 90.6 p -46.36 -53.04 11.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.893 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 69.6 mt -48.51 -39.57 23.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.961 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 13.5 tp -70.11 -33.41 71.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 824' ' ' ILE . . . . . . . . . . . . . 77.8 mt -67.81 -57.39 9.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 825' ' ' VAL . . . . . . . . . . . . . 59.7 t -61.46 -10.07 3.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 826' ' ' HIS . . . . . 0.566 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 6.4 t60 -96.3 -56.14 2.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.811 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -39.95 -35.64 0.38 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 830' ' ' HIS . 17.7 ptt180 -58.82 -43.72 90.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 829' ' ' THR . . . . . 0.466 ' CG2' ' O ' ' A' ' 826' ' ' HIS . 13.6 t -40.83 -26.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.135 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 830' ' ' HIS . . . . . 0.436 ' N ' ' O ' ' A' ' 828' ' ' ARG . 99.0 m-70 -81.57 41.44 0.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -129.6 102.99 6.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.1 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 832' ' ' GLY . . . . . . . . . . . . . . . 154.52 -179.62 30.51 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.491 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 5.3 m -69.3 132.76 32.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.352 . . . . 0.0 111.1 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 2.4 t -164.91 120.81 1.42 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 835' ' ' GLY . . . . . . . . . . . . . . . -57.69 -174.12 0.35 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.498 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 836' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 146.19 59.18 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.69 2.26 . . . . 0.0 112.337 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 837' ' ' SER . . . . . . . . . . . . . 32.7 p -141.82 173.74 11.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 838' ' ' SER . . . . . . . . . . . . . 25.3 m -150.36 145.62 26.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.847 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 839' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.454 179.988 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 44.7 t -153.31 109.58 3.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.909 0.385 . . . . 0.0 110.888 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 798' ' ' SER . . . . . . . . . . . . . 3.8 t -51.07 -58.39 6.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.858 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . 81.35 67.29 1.54 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.491 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 25.5 p -108.1 175.44 5.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.908 0.385 . . . . 0.0 110.827 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 801' ' ' SER . . . . . . . . . . . . . 44.5 m -108.16 80.99 1.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 802' ' ' GLY . . . . . . . . . . . . . . . 68.33 163.26 2.61 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.512 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 36.0 m -155.46 110.23 2.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.911 0.386 . . . . 0.0 110.797 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . -60.66 149.37 43.73 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.521 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -79.57 136.49 36.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.881 0.372 . . . . 0.0 110.952 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 806' ' ' LYS . . . . . 0.405 ' CE ' ' HB2' ' A' ' 816' ' ' ALA . 2.6 mppt? -79.09 142.55 59.74 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.602 0.715 . . . . 0.0 110.911 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 807' ' ' PRO . . . . . 0.565 ' HG2' ' CD2' ' A' ' 808' ' ' TYR . 53.9 Cg_endo -69.73 -28.69 25.09 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.71 2.274 . . . . 0.0 112.319 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 808' ' ' TYR . . . . . 0.565 ' CD2' ' HG2' ' A' ' 807' ' ' PRO . 14.2 m-85 -114.75 137.67 51.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 809' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 810' ' ' CYS . 15.0 tt0 -145.73 107.99 4.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.873 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 810' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 809' ' ' GLU . 17.6 t -35.79 153.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -104.42 -33.04 8.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 812' ' ' GLU . . . . . 0.538 ' HB2' ' CD2' ' A' ' 830' ' ' HIS . 21.4 mm-40 -60.45 -50.82 72.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.961 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 19.5 p -111.32 -49.05 3.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 122.91 13.3 4.57 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.498 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . 0.536 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 22.1 mmmt -53.78 174.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.796 0.331 . . . . 0.0 110.887 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 816' ' ' ALA . . . . . 0.405 ' HB2' ' CE ' ' A' ' 806' ' ' LYS . . . -136.38 140.05 42.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.115 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -147.92 123.43 10.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 18.5 pt -56.97 -27.24 26.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 11.3 m0 -109.68 157.31 19.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 820' ' ' LYS . . . . . 0.479 ' HE2' ' CE1' ' A' ' 808' ' ' TYR . 13.5 tppt? -76.01 -50.32 15.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 821' ' ' SER . . . . . . . . . . . . . 38.9 m -44.91 -54.3 6.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 40.4 mt -48.73 -37.59 19.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 13.9 tp -72.3 -32.59 66.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 824' ' ' ILE . . . . . . . . . . . . . 92.1 mt -68.37 -58.05 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 825' ' ' VAL . . . . . . . . . . . . . 3.7 t -60.56 -10.31 2.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 826' ' ' HIS . . . . . 0.536 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 27.4 t60 -96.61 -58.83 1.95 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -40.72 -37.79 0.81 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . 0.46 ' HG3' ' N ' ' A' ' 829' ' ' THR . 8.2 ptm180 -58.54 -42.03 86.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 829' ' ' THR . . . . . 0.46 ' N ' ' HG3' ' A' ' 828' ' ' ARG . 5.6 t -44.28 -23.58 0.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.164 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 830' ' ' HIS . . . . . 0.538 ' CD2' ' HB2' ' A' ' 812' ' ' GLU . 97.9 m-70 -85.11 39.09 0.75 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -133.95 93.55 3.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.092 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 832' ' ' GLY . . . . . . . . . . . . . . . 106.43 132.52 7.14 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.534 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 96.2 t -85.37 100.35 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.818 0.342 . . . . 0.0 111.171 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 8.4 t -130.15 175.98 8.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 835' ' ' GLY . . . . . . . . . . . . . . . 62.63 146.39 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 836' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 117.9 5.36 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.728 2.286 . . . . 0.0 112.351 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 837' ' ' SER . . . . . . . . . . . . . 45.4 m -138.36 136.09 35.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 838' ' ' SER . . . . . . . . . . . . . 15.0 t -40.7 -49.98 3.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 839' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.458 179.95 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 41.9 p -132.16 148.8 52.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.901 0.381 . . . . 0.0 110.832 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 798' ' ' SER . . . . . . . . . . . . . 49.1 m -75.19 -46.66 32.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.861 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . -139.8 126.51 3.29 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.456 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 3.1 m -59.21 -50.7 73.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.874 0.369 . . . . 0.0 110.879 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 801' ' ' SER . . . . . . . . . . . . . 1.9 t -133.41 101.49 5.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 802' ' ' GLY . . . . . . . . . . . . . . . 137.62 146.63 5.11 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.544 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 45.3 t -89.27 -60.39 1.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.898 0.38 . . . . 0.0 110.853 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 126.19 39.06 0.43 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.494 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -127.57 33.82 4.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.881 0.372 . . . . 0.0 110.866 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 806' ' ' LYS . . . . . 0.459 ' HD3' ' CB ' ' A' ' 816' ' ' ALA . 2.6 mptp? -128.13 143.28 47.37 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.533 0.683 . . . . 0.0 110.924 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 807' ' ' PRO . . . . . 0.533 ' HG2' ' CD2' ' A' ' 808' ' ' TYR . 54.1 Cg_endo -69.71 -22.37 32.4 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.692 2.261 . . . . 0.0 112.387 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 808' ' ' TYR . . . . . 0.56 ' CE1' ' HB2' ' A' ' 820' ' ' LYS . 18.9 m-85 -126.01 146.67 49.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.97 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 809' ' ' GLU . . . . . 0.472 ' CG ' ' O ' ' A' ' 815' ' ' LYS . 12.5 tt0 -152.78 118.19 5.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 810' ' ' CYS . . . . . 0.453 ' HA ' ' CD1' ' A' ' 823' ' ' LEU . 13.9 t -44.52 155.34 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -102.49 -36.92 8.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -60.68 -61.57 2.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 20.9 p -96.84 -48.21 5.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 119.64 14.93 5.54 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.475 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . 0.531 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 1.8 mmpt? -50.89 166.21 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.827 0.346 . . . . 0.0 110.875 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 816' ' ' ALA . . . . . 0.459 ' CB ' ' HD3' ' A' ' 806' ' ' LYS . . . -128.83 124.63 35.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.073 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -128.54 149.06 50.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 41.4 pt -79.35 -33.43 15.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.139 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 17.6 m0 -111.07 147.45 34.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 820' ' ' LYS . . . . . 0.56 ' HB2' ' CE1' ' A' ' 808' ' ' TYR . 32.1 tptt -60.15 -62.19 2.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 821' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 820' ' ' LYS . 90.8 p -35.3 -53.48 0.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 78.1 mt -45.77 -43.94 13.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 823' ' ' LEU . . . . . 0.453 ' CD1' ' HA ' ' A' ' 810' ' ' CYS . 16.5 tp -65.25 -35.31 80.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 824' ' ' ILE . . . . . . . . . . . . . 83.9 mt -65.86 -59.12 4.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 825' ' ' VAL . . . . . . . . . . . . . 20.6 t -57.61 -12.03 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 826' ' ' HIS . . . . . 0.531 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 26.0 t60 -94.58 -58.46 2.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -38.87 -39.32 0.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . 0.416 ' NH1' ' HB2' ' A' ' 828' ' ' ARG . 1.0 OUTLIER -56.97 -43.71 81.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 829' ' ' THR . . . . . 0.467 HG23 ' N ' ' A' ' 830' ' ' HIS . 6.3 t -43.83 -23.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 830' ' ' HIS . . . . . 0.467 ' N ' HG23 ' A' ' 829' ' ' THR . 87.1 m-70 -79.72 -41.6 26.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -44.58 100.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.048 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 832' ' ' GLY . . . . . . . . . . . . . . . -148.47 -61.14 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.461 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 85.2 t -37.26 137.36 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.86 0.362 . . . . 0.0 111.101 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 1.1 t -90.76 81.4 5.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 835' ' ' GLY . . . . . . . . . . . . . . . -64.59 -90.62 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.488 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 836' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 121.2 7.9 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.681 2.254 . . . . 0.0 112.348 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 837' ' ' SER . . . . . . . . . . . . . 35.4 m -70.17 -45.64 66.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 838' ' ' SER . . . . . . . . . . . . . 54.0 p -85.23 128.04 34.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 839' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.496 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 68.9 m -140.93 124.86 17.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.889 0.376 . . . . 0.0 110.852 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 798' ' ' SER . . . . . . . . . . . . . 16.2 m -116.25 141.64 47.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.846 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . -132.01 114.41 1.48 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.497 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 52.5 m -91.62 -60.01 1.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.862 0.363 . . . . 0.0 110.839 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 801' ' ' SER . . . . . . . . . . . . . 51.9 p 39.5 42.22 0.85 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 802' ' ' GLY . . . . . . . . . . . . . . . 101.25 98.09 2.32 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.469 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 1.1 t -55.16 165.46 0.7 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.906 0.384 . . . . 0.0 110.901 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 55.86 -179.01 0.45 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.472 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -125.92 144.96 50.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.944 0.402 . . . . 0.0 110.839 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 806' ' ' LYS . . . . . 0.471 ' HD3' ' N ' ' A' ' 817' ' ' PHE . 19.1 mttp -103.44 142.77 25.27 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.603 0.716 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 807' ' ' PRO . . . . . 0.566 ' HG2' ' CD2' ' A' ' 808' ' ' TYR . 53.7 Cg_endo -69.76 -39.76 6.12 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.704 2.269 . . . . 0.0 112.362 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 808' ' ' TYR . . . . . 0.566 ' CD2' ' HG2' ' A' ' 807' ' ' PRO . 26.3 m-85 -94.64 142.83 26.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 809' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' A' ' 815' ' ' LYS . 15.8 tt0 -154.75 107.5 2.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 810' ' ' CYS . . . . . 0.446 ' C ' ' O ' ' A' ' 809' ' ' GLU . 8.0 t -34.37 151.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -104.74 -27.99 11.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 812' ' ' GLU . . . . . 0.511 ' HG2' ' CG ' ' A' ' 830' ' ' HIS . 2.2 tp10 -68.58 -47.59 66.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 24.4 p -111.14 -45.6 3.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 117.22 14.48 7.05 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.49 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . 0.56 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 24.8 mmtt -55.93 176.39 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.784 0.326 . . . . 0.0 110.903 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 816' ' ' ALA . . . . . 0.535 ' C ' ' CD1' ' A' ' 817' ' ' PHE . . . -134.31 152.31 51.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.097 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 817' ' ' PHE . . . . . 0.535 ' CD1' ' C ' ' A' ' 816' ' ' ALA . 6.3 m-85 -159.85 139.1 11.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.922 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 19.1 pt -74.64 -26.25 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.121 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 8.4 m0 -110.77 152.57 26.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 820' ' ' LYS . . . . . 0.496 ' HD3' ' CE1' ' A' ' 808' ' ' TYR . 55.1 tptt -70.91 -52.35 20.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 821' ' ' SER . . . . . . . . . . . . . 5.1 m -46.22 -52.17 12.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 77.1 mt -46.15 -38.9 8.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 16.5 tp -71.46 -49.69 38.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 824' ' ' ILE . . . . . . . . . . . . . 85.9 mt -48.23 -59.17 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 825' ' ' VAL . . . . . . . . . . . . . 12.1 t -58.3 -19.85 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.085 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 826' ' ' HIS . . . . . 0.56 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 30.4 t60 -89.72 -27.78 19.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -74.24 -30.63 62.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 18.2 ptt180 -67.77 -34.64 77.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 829' ' ' THR . . . . . . . . . . . . . 3.4 t -61.47 -17.72 55.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 830' ' ' HIS . . . . . 0.511 ' CG ' ' HG2' ' A' ' 812' ' ' GLU . 59.9 m-70 -84.87 34.42 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -118.73 -48.83 2.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.094 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 832' ' ' GLY . . . . . . . . . . . . . . . 74.44 153.82 3.42 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 833' ' ' VAL . . . . . 0.456 ' O ' ' C ' ' A' ' 834' ' ' SER . 22.5 m -60.83 112.18 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.867 0.365 . . . . 0.0 111.185 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 834' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 833' ' ' VAL . 22.7 t 34.02 41.95 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 835' ' ' GLY . . . . . . . . . . . . . . . -42.79 -69.55 0.61 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.462 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 836' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 112.66 3.13 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.66 2.24 . . . . 0.0 112.344 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 837' ' ' SER . . . . . . . . . . . . . 67.1 p -99.33 81.19 2.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 838' ' ' SER . . . . . . . . . . . . . 24.9 p -98.57 -43.87 6.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.806 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 839' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.497 -179.993 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 79.0 p -96.5 101.53 13.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.903 0.382 . . . . 0.0 110.87 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 798' ' ' SER . . . . . . . . . . . . . 71.7 m -136.86 177.19 8.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . 161.54 125.58 0.78 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.5 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 4.7 m -117.55 103.89 10.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.865 0.364 . . . . 0.0 110.842 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 801' ' ' SER . . . . . . . . . . . . . 93.9 p -131.75 132.15 43.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 802' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 803' ' ' SER . . . 103.32 -118.93 6.21 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.45 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 803' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 802' ' ' GLY . 3.6 m 37.67 42.12 0.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.941 0.4 . . . . 0.0 110.876 -179.714 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 167.19 93.02 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.502 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -78.97 144.02 35.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.939 0.4 . . . . 0.0 110.853 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 806' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -105.13 142.99 25.83 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.563 0.697 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 807' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 -15.2 36.82 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.708 2.272 . . . . 0.0 112.329 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 808' ' ' TYR . . . . . 0.492 ' CE1' ' HD3' ' A' ' 820' ' ' LYS . 48.9 m-85 -128.79 129.46 45.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 809' ' ' GLU . . . . . 0.422 ' CG ' ' O ' ' A' ' 815' ' ' LYS . 12.5 tt0 -138.01 111.2 7.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.939 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 810' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 809' ' ' GLU . 8.6 t -37.84 153.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -104.9 -32.39 8.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -62.56 -49.49 75.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 14.2 p -111.33 -49.54 3.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.864 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 120.84 16.66 4.42 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.438 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . 0.422 ' O ' ' CG ' ' A' ' 809' ' ' GLU . 4.2 mmpt? -56.51 175.7 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.804 0.335 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 816' ' ' ALA . . . . . . . . . . . . . . . -136.63 139.57 42.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.137 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -146.66 141.19 26.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.863 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 30.7 pt -76.31 -30.98 20.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.109 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 11.6 m0 -108.6 137.03 47.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 820' ' ' LYS . . . . . 0.492 ' HD3' ' CE1' ' A' ' 808' ' ' TYR . 56.1 tptt -58.79 -50.83 72.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 821' ' ' SER . . . . . . . . . . . . . 16.4 p -44.17 -42.26 6.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 72.3 mt -58.99 -42.21 89.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 21.9 tp -63.3 -34.44 77.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.96 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 824' ' ' ILE . . . . . . . . . . . . . 21.0 mt -65.5 -64.75 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.163 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 825' ' ' VAL . . . . . . . . . . . . . 16.9 t -50.36 -18.87 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 826' ' ' HIS . . . . . 0.502 ' O ' ' CG2' ' A' ' 829' ' ' THR . 39.2 t60 -88.32 -59.71 2.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 827' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 826' ' ' HIS . 32.2 mt-10 -36.04 -44.69 0.39 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . 0.414 ' C ' ' N ' ' A' ' 830' ' ' HIS . 4.4 ptp180 -58.5 -43.03 88.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 829' ' ' THR . . . . . 0.502 ' CG2' ' O ' ' A' ' 826' ' ' HIS . 4.6 t -43.45 -22.82 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 830' ' ' HIS . . . . . 0.461 ' N ' HG21 ' A' ' 829' ' ' THR . 95.2 m-70 -83.36 39.91 0.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -130.94 89.24 2.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 832' ' ' GLY . . . . . . . . . . . . . . . 115.71 85.86 1.26 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 91.8 t -140.91 126.05 18.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.87 0.367 . . . . 0.0 111.135 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 11.8 t -54.46 145.02 19.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.829 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 835' ' ' GLY . . . . . . . . . . . . . . . -162.46 -89.07 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.452 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 836' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 2.78 3.22 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.68 2.253 . . . . 0.0 112.35 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 837' ' ' SER . . . . . . . . . . . . . 7.9 t -91.34 164.62 13.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 838' ' ' SER . . . . . . . . . . . . . 43.6 m -55.57 99.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 839' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.474 -179.97 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 21.6 t -98.07 -46.46 5.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.853 0.359 . . . . 0.0 110.829 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 798' ' ' SER . . . . . . . . . . . . . 89.7 p -133.79 121.49 21.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . 179.15 106.05 0.2 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.473 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 38.7 t -72.23 -61.41 1.8 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.858 0.361 . . . . 0.0 110.878 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 801' ' ' SER . . . . . . . . . . . . . 1.4 t -44.07 137.35 3.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 802' ' ' GLY . . . . . . . . . . . . . . . 68.75 -179.04 23.37 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 35.5 t -99.98 159.62 14.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.9 0.381 . . . . 0.0 110.872 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . -114.17 -43.36 0.79 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.532 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -91.12 115.95 28.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.944 0.402 . . . . 0.0 110.867 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 806' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -114.0 136.67 22.17 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.621 0.724 . . . . 0.0 110.889 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 807' ' ' PRO . . . . . 0.508 ' HG2' ' CD2' ' A' ' 808' ' ' TYR . 54.1 Cg_endo -69.73 -27.1 27.02 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.675 2.25 . . . . 0.0 112.357 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 808' ' ' TYR . . . . . 0.508 ' CD2' ' HG2' ' A' ' 807' ' ' PRO . 52.9 m-85 -107.0 120.72 42.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 809' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -128.83 118.78 23.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 810' ' ' CYS . . . . . . . . . . . . . 34.1 t -48.53 154.76 0.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -101.57 -29.88 11.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.921 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 812' ' ' GLU . . . . . 0.514 ' HG2' ' CG ' ' A' ' 830' ' ' HIS . 7.9 tp10 -67.63 -61.13 2.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 20.9 p -98.46 -46.55 5.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 117.61 14.86 6.63 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.505 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . 0.515 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 45.6 mmtt -53.76 175.02 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.769 0.318 . . . . 0.0 110.941 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 816' ' ' ALA . . . . . . . . . . . . . . . -138.83 139.44 38.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.125 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -145.72 141.65 28.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 37.8 pt -71.63 -30.77 39.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.078 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 20.2 m0 -113.14 145.94 40.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.927 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 820' ' ' LYS . . . . . 0.469 ' HB2' ' CE1' ' A' ' 808' ' ' TYR . 10.6 tppt? -64.24 -48.35 76.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.867 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 821' ' ' SER . . . . . . . . . . . . . 96.1 p -45.98 -44.08 14.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.805 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 54.0 mt -58.13 -35.64 71.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 26.7 tp -72.1 -33.39 67.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.927 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 824' ' ' ILE . . . . . . . . . . . . . 80.3 mt -64.9 -60.05 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 825' ' ' VAL . . . . . . . . . . . . . 91.4 t -58.83 -11.0 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.088 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 826' ' ' HIS . . . . . 0.515 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 30.7 t60 -93.8 -55.63 3.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -41.01 -39.97 1.31 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . 0.434 ' CG ' ' N ' ' A' ' 829' ' ' THR . 41.7 ptt85 -46.83 -48.29 20.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 829' ' ' THR . . . . . 0.434 ' N ' ' CG ' ' A' ' 828' ' ' ARG . 73.7 p -38.52 -38.61 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.145 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 830' ' ' HIS . . . . . 0.514 ' CG ' ' HG2' ' A' ' 812' ' ' GLU . 76.4 m-70 -81.46 50.3 1.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -124.79 39.49 3.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 832' ' ' GLY . . . . . . . . . . . . . . . -137.41 -179.11 16.53 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.501 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 34.1 m -123.55 138.62 52.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.844 0.354 . . . . 0.0 111.131 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 83.3 p -115.89 153.76 30.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.832 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 835' ' ' GLY . . . . . . . . . . . . . . . -149.43 143.5 10.91 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.509 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 836' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -50.17 0.49 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.685 2.256 . . . . 0.0 112.317 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 837' ' ' SER . . . . . . . . . . . . . 4.8 m -48.24 141.72 6.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 838' ' ' SER . . . . . . . . . . . . . 3.3 m -67.73 -43.33 80.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 839' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.472 179.986 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 4.3 m -111.8 139.28 47.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.899 0.381 . . . . 0.0 110.883 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 798' ' ' SER . . . . . . . . . . . . . 97.3 p -140.55 162.89 34.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.866 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . 178.02 178.06 47.23 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.459 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 57.0 m -139.73 147.74 41.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.918 0.389 . . . . 0.0 110.842 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 801' ' ' SER . . . . . . . . . . . . . 29.7 t -111.04 127.43 55.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.866 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 802' ' ' GLY . . . . . . . . . . . . . . . 112.81 109.28 2.96 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.483 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 96.2 p -124.92 93.82 4.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.848 0.356 . . . . 0.0 110.798 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 161.93 152.8 6.84 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.522 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -109.53 135.77 49.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.934 0.397 . . . . 0.0 110.881 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 806' ' ' LYS . . . . . 0.454 ' HD2' ' N ' ' A' ' 806' ' ' LYS . 0.0 OUTLIER -93.67 137.07 23.39 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.552 0.691 . . . . 0.0 110.915 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 807' ' ' PRO . . . . . 0.487 ' HG2' ' CD2' ' A' ' 808' ' ' TYR . 54.1 Cg_endo -69.8 -21.61 33.08 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.662 2.241 . . . . 0.0 112.362 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 808' ' ' TYR . . . . . 0.487 ' CD2' ' HG2' ' A' ' 807' ' ' PRO . 32.4 m-85 -116.48 140.22 49.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 809' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -150.62 111.14 4.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.941 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 810' ' ' CYS . . . . . . . . . . . . . 32.6 t -41.51 156.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 17.8 t30 -103.83 -31.44 9.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -67.51 -57.13 7.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 23.1 p -100.24 -47.04 5.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 114.36 17.25 7.23 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.464 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . 0.473 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 2.3 mmpt? -55.09 176.7 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.737 0.303 . . . . 0.0 110.927 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 816' ' ' ALA . . . . . . . . . . . . . . . -141.48 134.66 29.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.13 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -139.67 144.93 37.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 28.1 pt -74.09 -25.91 20.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.126 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 18.1 m0 -115.93 152.48 33.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 820' ' ' LYS . . . . . 0.472 ' HB2' ' CZ ' ' A' ' 808' ' ' TYR . 32.1 tptt -67.49 -58.53 4.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 821' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 820' ' ' LYS . 26.2 m -37.61 -50.16 1.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 78.6 mt -49.58 -42.07 43.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 823' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 820' ' ' LYS . 12.6 tp -67.07 -37.76 84.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 824' ' ' ILE . . . . . . . . . . . . . 79.4 mt -64.02 -60.83 2.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.112 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 825' ' ' VAL . . . . . 0.454 HG12 ' NE ' ' A' ' 828' ' ' ARG . 14.1 t -60.36 -9.51 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 826' ' ' HIS . . . . . 0.473 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 11.4 t60 -93.2 -59.34 2.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -44.17 -39.54 4.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . 0.458 ' HG3' ' N ' ' A' ' 829' ' ' THR . 17.6 ptt180 -53.51 -37.73 63.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.863 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 829' ' ' THR . . . . . 0.458 ' N ' ' HG3' ' A' ' 828' ' ' ARG . 43.8 p -52.46 -19.3 2.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 830' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -77.51 -40.82 41.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.806 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -77.25 133.64 38.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.083 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 832' ' ' GLY . . . . . . . . . . . . . . . 118.8 -80.84 0.32 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.497 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 87.5 t -52.23 121.75 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.841 0.353 . . . . 0.0 111.095 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 9.3 m -51.29 144.36 9.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 835' ' ' GLY . . . . . . . . . . . . . . . -116.51 166.12 12.35 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.469 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 836' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -35.94 11.72 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.654 2.236 . . . . 0.0 112.368 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 837' ' ' SER . . . . . . . . . . . . . 28.6 t -102.81 -57.23 2.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 838' ' ' SER . . . . . . . . . . . . . 54.7 p -142.24 117.48 10.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.858 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 839' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.446 179.991 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 13.2 t -165.51 140.6 4.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.845 0.355 . . . . 0.0 110.896 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 798' ' ' SER . . . . . . . . . . . . . 3.6 m -153.09 160.88 42.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . 145.17 -110.76 0.56 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.456 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 51.8 m 46.14 42.02 9.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 110.83 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 801' ' ' SER . . . . . . . . . . . . . 2.5 m -114.5 110.32 19.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 802' ' ' GLY . . . . . . . . . . . . . . . -154.23 64.14 0.34 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.445 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 1.8 m -124.62 41.85 3.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.91 0.386 . . . . 0.0 110.819 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 140.2 128.12 2.44 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.472 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -149.55 140.54 22.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.931 0.396 . . . . 0.0 110.893 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 806' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.57 136.33 82.29 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.557 0.694 . . . . 0.0 110.912 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 807' ' ' PRO . . . . . 0.573 ' HG2' ' CD2' ' A' ' 808' ' ' TYR . 53.9 Cg_endo -69.75 -36.57 10.6 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.679 2.252 . . . . 0.0 112.374 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 808' ' ' TYR . . . . . 0.573 ' CD2' ' HG2' ' A' ' 807' ' ' PRO . 5.2 m-85 -106.76 142.54 36.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 809' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 810' ' ' CYS . 10.3 tt0 -146.58 107.5 4.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 810' ' ' CYS . . . . . 0.422 ' C ' ' O ' ' A' ' 809' ' ' GLU . 23.0 t -36.03 152.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.917 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -105.62 -28.43 10.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 812' ' ' GLU . . . . . 0.432 ' HG3' ' CB ' ' A' ' 830' ' ' HIS . 52.3 mm-40 -66.8 -47.34 72.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.845 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 21.7 p -113.22 -45.42 3.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 118.06 13.6 7.02 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.491 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . 0.555 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 16.4 mmtm -54.32 173.42 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.766 0.317 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 816' ' ' ALA . . . . . . . . . . . . . . . -138.08 133.17 33.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.136 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -135.67 149.31 49.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.85 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 24.7 pt -82.15 -26.18 9.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.143 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 819' ' ' TRP . . . . . 0.444 ' HB2' ' CD1' ' A' ' 822' ' ' LEU . 11.8 m0 -115.67 149.38 38.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 820' ' ' LYS . . . . . 0.495 ' HE3' ' CE1' ' A' ' 808' ' ' TYR . 3.0 tppp? -66.94 -53.35 32.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 821' ' ' SER . . . . . . . . . . . . . 91.6 p -46.07 -36.83 6.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 822' ' ' LEU . . . . . 0.444 ' CD1' ' HB2' ' A' ' 819' ' ' TRP . 76.4 mt -65.34 -35.87 82.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.907 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 23.0 tp -72.62 -28.64 62.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 824' ' ' ILE . . . . . . . . . . . . . 40.0 mt -70.66 -57.52 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 825' ' ' VAL . . . . . . . . . . . . . 57.9 t -58.75 -13.09 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 826' ' ' HIS . . . . . 0.555 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 35.4 t60 -96.56 -54.96 3.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -47.57 -33.68 6.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . 0.442 ' HG3' ' N ' ' A' ' 829' ' ' THR . 7.6 ptm180 -61.84 -33.55 74.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.909 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 829' ' ' THR . . . . . 0.445 ' CG2' ' O ' ' A' ' 826' ' ' HIS . 4.8 t -55.04 -16.75 3.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.168 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 830' ' ' HIS . . . . . 0.432 ' CB ' ' HG3' ' A' ' 812' ' ' GLU . 96.8 m-70 -92.55 43.32 1.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -124.76 43.16 3.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.068 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 832' ' ' GLY . . . . . . . . . . . . . . . 57.35 53.08 47.62 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.487 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 34.9 m -82.95 40.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.851 0.357 . . . . 0.0 111.167 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 10.9 t -147.25 137.41 23.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 835' ' ' GLY . . . . . . . . . . . . . . . -162.2 145.13 10.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.467 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 836' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 104.99 1.41 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.729 2.286 . . . . 0.0 112.308 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 837' ' ' SER . . . . . . . . . . . . . 91.1 p -105.29 122.17 45.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 838' ' ' SER . . . . . . . . . . . . . 14.8 t -105.67 106.6 17.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 839' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.494 179.987 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 18.0 m -124.9 90.94 3.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.845 0.355 . . . . 0.0 110.874 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 798' ' ' SER . . . . . . . . . . . . . 99.1 p -102.0 121.58 42.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . -110.38 -65.51 0.54 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.504 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 34.4 p -165.56 133.94 3.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.896 0.379 . . . . 0.0 110.833 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 801' ' ' SER . . . . . . . . . . . . . 78.8 p -151.76 142.46 22.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 802' ' ' GLY . . . . . . . . . . . . . . . 72.84 167.6 11.21 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.484 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 22.9 t -123.08 -50.52 1.92 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.882 0.372 . . . . 0.0 110.83 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . -89.94 -171.69 44.71 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.514 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -145.86 148.84 33.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.872 0.368 . . . . 0.0 110.915 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 806' ' ' LYS . . . . . 0.452 ' CD ' HG23 ' A' ' 818' ' ' ILE . 43.2 mmtm -59.46 132.19 88.23 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.585 0.707 . . . . 0.0 110.881 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 807' ' ' PRO . . . . . 0.528 ' HG2' ' CD2' ' A' ' 808' ' ' TYR . 53.5 Cg_endo -69.74 -30.6 22.13 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.695 2.264 . . . . 0.0 112.321 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 808' ' ' TYR . . . . . 0.528 ' CD2' ' HG2' ' A' ' 807' ' ' PRO . 16.3 m-85 -115.27 142.06 47.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 809' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 810' ' ' CYS . 10.5 tt0 -152.13 107.82 3.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 810' ' ' CYS . . . . . 0.433 ' C ' ' O ' ' A' ' 809' ' ' GLU . 14.6 t -35.45 152.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -103.56 -35.96 8.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -58.7 -55.49 34.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 19.7 p -105.63 -49.17 3.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 122.86 14.0 4.36 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.476 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . 0.565 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 18.1 mmmt -51.92 165.86 0.18 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.82 0.343 . . . . 0.0 110.865 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 816' ' ' ALA . . . . . . . . . . . . . . . -128.92 140.69 51.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 817' ' ' PHE . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 815' ' ' LYS . 6.2 m-85 -147.03 140.85 25.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 818' ' ' ILE . . . . . 0.452 HG23 ' CD ' ' A' ' 806' ' ' LYS . 9.2 pt -78.3 -23.44 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.132 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 7.3 m0 -114.87 144.26 43.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 820' ' ' LYS . . . . . 0.515 ' HB2' ' CZ ' ' A' ' 808' ' ' TYR . 16.9 tptm -62.52 -56.07 21.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 821' ' ' SER . . . . . . . . . . . . . 76.3 p -40.73 -51.11 3.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 71.4 mt -49.62 -40.92 40.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.936 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 17.8 tp -68.08 -32.26 72.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 824' ' ' ILE . . . . . . . . . . . . . 70.1 mt -69.88 -47.43 69.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 825' ' ' VAL . . . . . . . . . . . . . 23.9 t -65.59 -18.13 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.107 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 826' ' ' HIS . . . . . 0.565 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 39.1 t60 -92.45 -47.65 7.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -44.88 -30.71 1.04 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -77.06 -38.92 51.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 829' ' ' THR . . . . . 0.449 HG21 ' N ' ' A' ' 830' ' ' HIS . 1.4 t -41.22 -32.64 0.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 830' ' ' HIS . . . . . 0.449 ' N ' HG21 ' A' ' 829' ' ' THR . 81.3 m-70 -70.16 -49.68 48.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.892 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -38.59 105.14 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.074 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 832' ' ' GLY . . . . . . . . . . . . . . . 115.42 -76.48 0.26 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 33.2 m -84.1 39.83 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.833 0.349 . . . . 0.0 111.107 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 3.8 m -72.3 106.15 4.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 835' ' ' GLY . . . . . . . . . . . . . . . 72.2 145.01 0.51 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.465 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 836' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 158.41 57.09 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.641 2.227 . . . . 0.0 112.383 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 837' ' ' SER . . . . . . . . . . . . . 32.7 t -65.52 154.76 37.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 838' ' ' SER . . . . . . . . . . . . . 21.6 m -160.63 166.91 28.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.846 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 839' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.491 179.984 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 3.7 t -166.91 129.58 1.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.899 0.381 . . . . 0.0 110.875 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 798' ' ' SER . . . . . . . . . . . . . 2.6 t -136.69 133.65 36.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . -147.13 138.33 7.2 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.491 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 3.0 m -60.54 147.57 40.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.875 0.369 . . . . 0.0 110.914 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 801' ' ' SER . . . . . . . . . . . . . 43.0 m -83.16 113.23 20.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 802' ' ' GLY . . . . . . . . . . . . . . . -154.31 166.55 32.18 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.477 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 14.6 t -121.03 156.89 31.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.894 0.378 . . . . 0.0 110.86 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . -46.52 155.06 0.73 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.52 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 28.8 mp0 -54.03 153.39 4.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.873 0.368 . . . . 0.0 110.881 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 806' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -63.45 142.95 97.92 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.581 0.705 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 807' ' ' PRO . . . . . 0.561 ' HG2' ' CD2' ' A' ' 808' ' ' TYR . 53.6 Cg_endo -69.72 -26.45 27.74 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.688 2.259 . . . . 0.0 112.319 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 808' ' ' TYR . . . . . 0.561 ' CD2' ' HG2' ' A' ' 807' ' ' PRO . 23.3 m-85 -118.31 145.33 45.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.87 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 809' ' ' GLU . . . . . 0.429 ' CG ' ' O ' ' A' ' 815' ' ' LYS . 20.9 tt0 -150.86 112.91 4.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.925 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 810' ' ' CYS . . . . . . . . . . . . . 12.9 t -39.53 153.52 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -104.12 -35.14 8.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -60.49 -52.13 66.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 9.8 p -107.07 -49.63 3.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.84 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 122.45 11.53 5.54 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.468 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . 0.429 ' O ' ' CG ' ' A' ' 809' ' ' GLU . 0.0 OUTLIER -55.08 172.0 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.79 0.328 . . . . 0.0 110.873 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 816' ' ' ALA . . . . . . . . . . . . . . . -133.2 133.77 43.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.115 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -134.38 132.51 39.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 11.0 pt -67.06 -25.36 33.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.087 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 7.8 m0 -114.85 144.38 43.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 820' ' ' LYS . . . . . 0.448 ' HB2' ' CZ ' ' A' ' 808' ' ' TYR . 20.4 tptm -60.76 -60.62 3.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.884 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 821' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 820' ' ' LYS . 50.4 m -37.61 -52.65 1.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 76.9 mt -46.67 -41.28 14.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 823' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 820' ' ' LYS . 11.6 tp -68.89 -36.44 78.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 824' ' ' ILE . . . . . . . . . . . . . 67.3 mt -64.1 -59.63 3.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.165 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 825' ' ' VAL . . . . . 0.468 ' HA ' ' NE ' ' A' ' 828' ' ' ARG . 83.1 t -60.35 -9.65 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.117 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 826' ' ' HIS . . . . . 0.447 ' O ' ' N ' ' A' ' 829' ' ' THR . 38.4 t60 -94.88 -64.04 1.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 827' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 826' ' ' HIS . 59.7 mt-10 -36.37 -39.06 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . 0.468 ' NE ' ' HA ' ' A' ' 825' ' ' VAL . 9.5 ptp180 -57.59 -46.09 84.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 829' ' ' THR . . . . . 0.453 HG23 ' N ' ' A' ' 830' ' ' HIS . 6.9 t -41.84 -23.9 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.15 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 830' ' ' HIS . . . . . 0.453 ' N ' HG23 ' A' ' 829' ' ' THR . 96.4 m-70 -83.42 39.74 0.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -131.25 81.78 2.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 832' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 833' ' ' VAL . . . 166.57 -45.72 0.26 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.435 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 833' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 832' ' ' GLY . 96.1 t -37.11 115.04 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.804 0.335 . . . . 0.0 111.153 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 9.7 t -41.33 139.29 1.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 835' ' ' GLY . . . . . . . . . . . . . . . -96.84 145.63 17.94 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.501 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 836' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 837' ' ' SER . 54.3 Cg_endo -69.72 155.76 65.2 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.715 2.276 . . . . 0.0 112.382 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 837' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 836' ' ' PRO . 94.0 p 34.32 46.51 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.837 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 838' ' ' SER . . . . . . . . . . . . . 35.6 p -72.92 118.23 15.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.876 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 839' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.501 -179.988 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 808' ' ' TYR . . . . . 0.536 ' CE1' ' HD3' ' A' ' 820' ' ' LYS . 55.9 m-85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.872 0.367 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 809' ' ' GLU . . . . . 0.412 ' CG ' ' O ' ' A' ' 815' ' ' LYS . 21.7 tt0 -154.33 110.02 3.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 810' ' ' CYS . . . . . 0.696 ' HA ' HD11 ' A' ' 823' ' ' LEU . 13.6 t -37.95 152.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -101.1 -33.71 10.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -60.62 -60.72 3.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 20.8 p -99.53 -49.37 4.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 121.51 14.73 4.75 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.452 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 815' ' ' LYS . . . . . 0.427 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 39.5 mmtt -56.31 174.41 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.802 0.334 . . . . 0.0 110.844 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 816' ' ' ALA . . . . . . . . . . . . . . . -130.96 146.43 52.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.066 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -151.46 124.81 8.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 21.8 pt -59.96 -28.27 40.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.097 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 9.0 m0 -110.5 156.2 21.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.939 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 820' ' ' LYS . . . . . 0.536 ' HD3' ' CE1' ' A' ' 808' ' ' TYR . 17.5 tptp -71.46 -58.55 3.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.918 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 821' ' ' SER . . . . . . . . . . . . . 19.7 m -41.48 -52.37 3.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.811 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 70.8 mt -46.23 -39.02 9.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 823' ' ' LEU . . . . . 0.696 HD11 ' HA ' ' A' ' 810' ' ' CYS . 14.4 tp -72.71 -37.65 67.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 824' ' ' ILE . . . . . . . . . . . . . 90.6 mt -63.4 -57.84 10.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.125 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 825' ' ' VAL . . . . . 0.496 ' O ' HG12 ' A' ' 825' ' ' VAL . 93.9 t -60.06 -9.88 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.159 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 826' ' ' HIS . . . . . 0.427 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 17.3 t60 -95.16 -56.18 2.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -39.18 -36.12 0.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 828' ' ' ARG . . . . . 0.433 ' NH1' ' HB2' ' A' ' 828' ' ' ARG . 2.8 ptm85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 808' ' ' TYR . . . . . 0.566 ' CE1' ' HB2' ' A' ' 820' ' ' LYS . 20.9 m-85 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.918 0.389 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 809' ' ' GLU . . . . . 0.432 ' CG ' ' O ' ' A' ' 815' ' ' LYS . 11.9 tt0 -143.59 110.1 5.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 810' ' ' CYS . . . . . 0.507 ' HA ' HD11 ' A' ' 823' ' ' LEU . 11.6 t -36.59 151.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.931 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -101.45 -31.35 10.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 812' ' ' GLU . . . . . 0.411 ' C ' ' OE1' ' A' ' 812' ' ' GLU . 1.7 tm-20 -63.89 -58.8 5.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 17.5 p -99.88 -48.8 4.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 119.52 14.97 5.58 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.443 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 815' ' ' LYS . . . . . 0.432 ' O ' ' CG ' ' A' ' 809' ' ' GLU . 19.3 mmtm -57.27 169.27 0.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.807 0.337 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 816' ' ' ALA . . . . . . . . . . . . . . . -131.42 139.66 49.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.101 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -145.95 127.91 15.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 34.4 pt -58.64 -26.82 32.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.166 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 16.7 m0 -114.72 146.73 40.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.957 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 820' ' ' LYS . . . . . 0.566 ' HB2' ' CE1' ' A' ' 808' ' ' TYR . 18.2 tptm -67.34 -52.48 39.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.898 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 821' ' ' SER . . . . . 0.837 ' HA ' HD12 ' A' ' 824' ' ' ILE . 95.9 p -41.09 -49.87 3.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.827 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 68.0 mt -50.56 -41.92 54.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 823' ' ' LEU . . . . . 0.507 HD11 ' HA ' ' A' ' 810' ' ' CYS . 24.0 tp -65.84 -35.57 81.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.948 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 824' ' ' ILE . . . . . 0.837 HD12 ' HA ' ' A' ' 821' ' ' SER . 40.6 mt -64.63 -57.29 11.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 825' ' ' VAL . . . . . 0.438 ' O ' HG12 ' A' ' 825' ' ' VAL . 23.1 t -63.29 -9.65 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.109 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 826' ' ' HIS . . . . . 0.401 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 14.3 t60 -93.82 -57.38 2.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -43.91 -45.15 7.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.896 -179.909 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 808' ' ' TYR . . . . . 0.404 ' CZ ' ' HB2' ' A' ' 820' ' ' LYS . 42.7 m-85 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.835 0.35 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 809' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -138.08 114.96 10.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 810' ' ' CYS . . . . . . . . . . . . . 29.5 t -44.84 153.3 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -99.99 -29.45 12.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.28 -62.37 1.43 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 22.4 p -97.09 -48.32 5.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 118.85 15.83 5.61 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.441 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 815' ' ' LYS . . . . . 0.562 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 14.0 mmmt -53.09 173.83 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.769 0.318 . . . . 0.0 110.886 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 816' ' ' ALA . . . . . . . . . . . . . . . -135.42 139.67 44.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.102 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -144.54 149.92 36.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 19.7 pt -83.42 -25.12 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 15.3 m0 -118.55 144.81 45.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.932 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 820' ' ' LYS . . . . . 0.404 ' HB2' ' CZ ' ' A' ' 808' ' ' TYR . 19.4 tptp -60.66 -50.22 74.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 821' ' ' SER . . . . . 0.573 ' HA ' HD12 ' A' ' 824' ' ' ILE . 57.6 p -45.22 -50.33 11.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 75.3 mt -50.71 -41.03 55.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 15.4 tp -66.28 -40.66 90.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 824' ' ' ILE . . . . . 0.573 HD12 ' HA ' ' A' ' 821' ' ' SER . 59.6 mt -60.21 -60.11 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 825' ' ' VAL . . . . . . . . . . . . . 4.9 t -55.82 -13.39 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.112 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 826' ' ' HIS . . . . . 0.562 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 30.8 t60 -91.59 -59.13 2.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 827' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 826' ' ' HIS . 41.4 mt-10 -36.29 -43.17 0.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.919 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 808' ' ' TYR . . . . . 0.407 ' CE1' ' HE3' ' A' ' 820' ' ' LYS . 19.6 m-85 . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.825 0.345 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 809' ' ' GLU . . . . . 0.457 ' CG ' ' O ' ' A' ' 815' ' ' LYS . 12.2 tt0 -144.32 114.16 7.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.873 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 810' ' ' CYS . . . . . . . . . . . . . 49.4 t -39.02 152.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -103.81 -24.57 13.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -71.4 -54.45 10.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 20.6 p -104.84 -49.1 3.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.861 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 122.6 13.54 4.64 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.477 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 815' ' ' LYS . . . . . 0.558 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 2.3 mmmp? -54.65 168.39 0.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.841 0.353 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 816' ' ' ALA . . . . . . . . . . . . . . . -129.1 140.58 51.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -147.38 134.83 20.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 10.7 pt -72.7 -19.98 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 819' ' ' TRP . . . . . 0.435 ' HB2' ' CD1' ' A' ' 822' ' ' LEU . 7.3 m0 -117.7 149.44 40.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 820' ' ' LYS . . . . . 0.407 ' HE3' ' CE1' ' A' ' 808' ' ' TYR . 2.7 tppp? -68.39 -54.53 16.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 821' ' ' SER . . . . . 0.753 ' HA ' HD12 ' A' ' 824' ' ' ILE . 51.2 m -44.33 -46.01 9.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 822' ' ' LEU . . . . . 0.435 ' CD1' ' HB2' ' A' ' 819' ' ' TRP . 78.4 mt -54.13 -37.47 64.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 15.7 tp -70.24 -33.64 71.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 824' ' ' ILE . . . . . 0.753 HD12 ' HA ' ' A' ' 821' ' ' SER . 44.1 mt -66.7 -61.44 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 825' ' ' VAL . . . . . . . . . . . . . 44.8 t -54.47 -14.49 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.112 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 826' ' ' HIS . . . . . 0.558 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 37.2 t60 -92.97 -55.32 3.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -48.6 -22.79 0.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.832 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 5.0 ptt-85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -179.919 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 808' ' ' TYR . . . . . 0.713 ' HB3' HD22 ' A' ' 823' ' ' LEU . 4.0 m-85 . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.894 0.378 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 809' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 810' ' ' CYS . 8.0 tt0 -166.09 107.78 0.73 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.885 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 810' ' ' CYS . . . . . 0.515 ' HA ' HD11 ' A' ' 823' ' ' LEU . 17.5 t -35.42 152.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.849 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -103.97 -36.04 7.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.97 -53.14 61.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 19.7 p -108.04 -49.53 3.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 122.85 14.14 4.32 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.487 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 815' ' ' LYS . . . . . 0.575 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 31.9 mmtm -55.33 163.89 1.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.785 0.326 . . . . 0.0 110.875 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 816' ' ' ALA . . . . . . . . . . . . . . . -126.74 142.54 51.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -147.49 128.26 14.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 818' ' ' ILE . . . . . 0.408 HG13 ' N ' ' A' ' 819' ' ' TRP . 19.0 pt -61.78 -29.12 45.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.085 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 819' ' ' TRP . . . . . 0.408 ' N ' HG13 ' A' ' 818' ' ' ILE . 10.4 m0 -110.17 155.39 22.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 820' ' ' LYS . . . . . 0.513 ' HB2' ' CZ ' ' A' ' 808' ' ' TYR . 19.3 tptm -71.25 -59.56 2.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 821' ' ' SER . . . . . 0.631 ' HA ' HD12 ' A' ' 824' ' ' ILE . 23.5 m -37.78 -54.51 1.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.819 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 53.4 mt -46.5 -39.98 11.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 823' ' ' LEU . . . . . 0.713 HD22 ' HB3' ' A' ' 808' ' ' TYR . 57.7 tp -68.18 -35.04 77.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.946 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 824' ' ' ILE . . . . . 0.631 HD12 ' HA ' ' A' ' 821' ' ' SER . 56.3 mt -67.33 -57.21 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 825' ' ' VAL . . . . . 0.414 ' O ' HG12 ' A' ' 825' ' ' VAL . 61.7 t -55.61 -14.09 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.169 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 826' ' ' HIS . . . . . 0.575 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 25.7 t60 -96.28 -54.18 3.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.823 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -41.07 -29.93 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.939 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 808' ' ' TYR . . . . . 0.593 ' HB3' HD22 ' A' ' 823' ' ' LEU . 13.4 m-85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.777 0.323 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 809' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -151.23 110.74 3.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 810' ' ' CYS . . . . . 0.514 ' HA ' HD11 ' A' ' 823' ' ' LEU . 15.0 t -39.02 159.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -109.9 -32.46 7.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -63.59 -46.3 86.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 12.1 p -114.36 -48.82 2.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 121.25 12.9 5.54 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.47 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 815' ' ' LYS . . . . . 0.522 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 31.0 mmtt -52.65 167.9 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.783 0.325 . . . . 0.0 110.91 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 816' ' ' ALA . . . . . . . . . . . . . . . -133.19 130.61 39.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.098 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 817' ' ' PHE . . . . . 0.402 ' CD1' ' N ' ' A' ' 817' ' ' PHE . 2.8 m-85 -134.36 134.03 41.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 23.9 pt -65.68 -23.75 33.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.137 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 13.4 m0 -115.98 156.47 26.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 820' ' ' LYS . . . . . 0.536 ' HD3' ' CE1' ' A' ' 808' ' ' TYR . 17.8 tptm -72.33 -56.73 5.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 821' ' ' SER . . . . . 0.698 ' HA ' HD12 ' A' ' 824' ' ' ILE . 1.9 m -40.24 -54.38 2.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 70.0 mt -45.93 -41.99 12.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.944 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 823' ' ' LEU . . . . . 0.593 HD22 ' HB3' ' A' ' 808' ' ' TYR . 44.4 tp -67.33 -35.18 78.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.972 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 824' ' ' ILE . . . . . 0.698 HD12 ' HA ' ' A' ' 821' ' ' SER . 39.5 mt -68.8 -53.75 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 825' ' ' VAL . . . . . 0.509 ' O ' HG12 ' A' ' 825' ' ' VAL . 91.3 t -64.49 -8.51 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 826' ' ' HIS . . . . . 0.522 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 13.4 t60 -95.68 -56.38 2.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -40.92 -40.48 1.39 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 31.9 ptt180 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.945 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 808' ' ' TYR . . . . . 0.551 ' CE2' ' HD3' ' A' ' 820' ' ' LYS . 43.2 m-85 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.825 0.345 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 809' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -136.69 114.43 11.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 810' ' ' CYS . . . . . 0.578 ' HA ' HD11 ' A' ' 823' ' ' LEU . 8.3 t -41.9 153.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 -101.53 -33.67 9.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -63.04 -62.29 1.81 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 20.2 p -97.74 -48.51 5.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 121.26 14.41 4.98 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.457 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.55 175.81 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.803 0.335 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 816' ' ' ALA . . . . . . . . . . . . . . . -136.64 141.41 43.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.099 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -145.45 140.62 27.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 13.2 pt -74.12 -24.78 19.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.157 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 819' ' ' TRP . . . . . 0.436 ' HB2' ' CD1' ' A' ' 822' ' ' LEU . 9.1 m0 -113.92 146.46 40.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 820' ' ' LYS . . . . . 0.551 ' HD3' ' CE2' ' A' ' 808' ' ' TYR . 38.1 tptt -64.73 -58.82 5.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 821' ' ' SER . . . . . 0.718 ' HA ' HD12 ' A' ' 824' ' ' ILE . 19.9 m -41.24 -49.2 3.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 822' ' ' LEU . . . . . 0.436 ' CD1' ' HB2' ' A' ' 819' ' ' TRP . 93.6 mt -50.26 -40.75 48.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.935 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 823' ' ' LEU . . . . . 0.578 HD11 ' HA ' ' A' ' 810' ' ' CYS . 16.0 tp -67.25 -35.87 80.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.939 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 824' ' ' ILE . . . . . 0.718 HD12 ' HA ' ' A' ' 821' ' ' SER . 61.1 mt -63.54 -63.24 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 825' ' ' VAL . . . . . 0.473 ' HA ' ' NE ' ' A' ' 828' ' ' ARG . 97.6 t -52.39 -16.11 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.142 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 826' ' ' HIS . . . . . 0.407 ' O ' ' C ' ' A' ' 827' ' ' GLU . 35.3 t60 -90.02 -60.23 1.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 827' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 826' ' ' HIS . 26.4 mt-10 -37.98 -46.17 0.96 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 828' ' ' ARG . . . . . 0.473 ' NE ' ' HA ' ' A' ' 825' ' ' VAL . 10.2 ptp180 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 808' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.886 0.374 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 809' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -132.6 113.29 12.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 810' ' ' CYS . . . . . . . . . . . . . 49.3 t -41.36 156.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -106.31 -33.6 7.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -59.54 -51.99 67.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 16.7 p -113.0 -48.22 2.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 126.38 9.05 4.68 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.507 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 815' ' ' LYS . . . . . 0.563 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 19.2 mmtm -50.21 171.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.787 0.327 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 816' ' ' ALA . . . . . 0.459 ' C ' ' CG ' ' A' ' 817' ' ' PHE . . . -132.1 152.76 51.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.079 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 817' ' ' PHE . . . . . 0.459 ' CG ' ' C ' ' A' ' 816' ' ' ALA . 3.7 m-85 -158.96 130.73 6.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 15.6 pt -71.27 -19.29 20.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.079 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 819' ' ' TRP . . . . . 0.48 ' HB2' ' CD1' ' A' ' 822' ' ' LEU . 8.6 m0 -117.65 133.57 55.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -55.06 -56.32 21.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 821' ' ' SER . . . . . 0.932 ' HA ' HD12 ' A' ' 824' ' ' ILE . 55.8 p -40.37 -47.62 2.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 822' ' ' LEU . . . . . 0.48 ' CD1' ' HB2' ' A' ' 819' ' ' TRP . 65.6 mt -54.21 -43.33 70.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 15.7 tp -61.97 -35.15 77.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 824' ' ' ILE . . . . . 0.932 HD12 ' HA ' ' A' ' 821' ' ' SER . 20.0 mt -66.23 -63.64 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.098 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 825' ' ' VAL . . . . . 0.448 ' C ' ' HG2' ' A' ' 828' ' ' ARG . 11.1 t -49.0 -20.14 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 826' ' ' HIS . . . . . 0.563 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 47.1 t60 -89.29 -61.68 1.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -45.12 -21.57 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 828' ' ' ARG . . . . . 0.448 ' HG2' ' C ' ' A' ' 825' ' ' VAL . 2.4 ptp180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 808' ' ' TYR . . . . . 0.509 ' CE1' ' HD3' ' A' ' 820' ' ' LYS . 21.1 m-85 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.815 0.341 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 809' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -148.9 114.51 5.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 810' ' ' CYS . . . . . 0.554 ' HA ' HD11 ' A' ' 823' ' ' LEU . 15.9 t -45.14 156.37 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.932 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -104.77 -34.4 8.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.68 -51.16 70.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 13.1 p -110.72 -49.47 3.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 121.74 16.31 4.15 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.458 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 815' ' ' LYS . . . . . 0.499 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 5.8 mmpt? -55.63 173.85 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 110.906 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 816' ' ' ALA . . . . . . . . . . . . . . . -133.1 143.52 49.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.102 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -146.6 137.51 24.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 10.3 pt -71.91 -21.35 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.107 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 9.2 m0 -118.25 160.34 21.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.953 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 820' ' ' LYS . . . . . 0.509 ' HD3' ' CE1' ' A' ' 808' ' ' TYR . 19.3 tptm -73.77 -56.15 5.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 821' ' ' SER . . . . . . . . . . . . . 30.4 p -41.92 -51.52 4.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 60.5 mt -47.26 -35.86 8.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.95 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 823' ' ' LEU . . . . . 0.554 HD11 ' HA ' ' A' ' 810' ' ' CYS . 13.1 tp -76.12 -34.51 59.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 824' ' ' ILE . . . . . . . . . . . . . 83.1 mt -68.12 -51.56 47.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 825' ' ' VAL . . . . . . . . . . . . . 4.6 t -66.96 -11.27 13.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.141 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 826' ' ' HIS . . . . . 0.499 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 30.2 t60 -94.9 -57.86 2.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -42.41 -26.77 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.917 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 808' ' ' TYR . . . . . 0.567 ' HB3' HD22 ' A' ' 823' ' ' LEU . 32.5 m-85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.823 0.344 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 809' ' ' GLU . . . . . 0.477 ' CG ' ' O ' ' A' ' 815' ' ' LYS . 12.0 tt0 -138.57 108.85 6.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 810' ' ' CYS . . . . . . . . . . . . . 13.4 t -39.04 151.95 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.927 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -100.21 -32.29 10.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -61.85 -59.35 5.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 10.4 p -100.47 -50.86 3.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 121.5 18.5 3.67 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 815' ' ' LYS . . . . . 0.547 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 18.2 mmtp -57.44 174.9 0.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.827 0.346 . . . . 0.0 110.91 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 816' ' ' ALA . . . . . . . . . . . . . . . -140.04 138.1 35.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.115 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -148.51 142.2 25.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 818' ' ' ILE . . . . . 0.471 HG13 ' N ' ' A' ' 819' ' ' TRP . 27.9 pt -73.75 -35.41 43.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.09 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 819' ' ' TRP . . . . . 0.471 ' N ' HG13 ' A' ' 818' ' ' ILE . 9.7 m0 -102.49 135.74 43.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 820' ' ' LYS . . . . . 0.423 ' HB2' ' CZ ' ' A' ' 808' ' ' TYR . 15.8 tptm -56.57 -55.98 27.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.874 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 821' ' ' SER . . . . . 0.604 ' HA ' HD12 ' A' ' 824' ' ' ILE . 44.9 p -38.5 -53.43 1.56 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.86 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 56.2 mt -47.2 -43.82 21.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.938 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 823' ' ' LEU . . . . . 0.567 HD22 ' HB3' ' A' ' 808' ' ' TYR . 17.0 tp -65.07 -37.16 86.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 824' ' ' ILE . . . . . 0.604 HD12 ' HA ' ' A' ' 821' ' ' SER . 66.9 mt -64.27 -59.05 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.125 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 825' ' ' VAL . . . . . 0.477 ' O ' HG12 ' A' ' 825' ' ' VAL . 92.4 t -58.38 -11.53 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.124 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 826' ' ' HIS . . . . . 0.547 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 10.4 t60 -92.42 -60.28 1.87 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.825 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -41.15 -44.21 2.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.882 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 -179.938 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 808' ' ' TYR . . . . . 0.57 ' CE1' ' HB2' ' A' ' 820' ' ' LYS . 44.0 m-85 . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.902 0.382 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 809' ' ' GLU . . . . . 0.439 ' CG ' ' O ' ' A' ' 815' ' ' LYS . 18.1 tt0 -137.83 119.28 14.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.857 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 810' ' ' CYS . . . . . 0.552 ' HA ' HD11 ' A' ' 823' ' ' LEU . 38.2 t -51.02 156.81 0.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -101.47 -33.8 9.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -62.75 -60.83 2.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 12.4 p -98.87 -50.43 4.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 122.06 13.0 5.1 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.503 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 815' ' ' LYS . . . . . 0.579 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 31.5 mmtt -50.24 176.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.331 . . . . 0.0 110.897 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 816' ' ' ALA . . . . . . . . . . . . . . . -144.51 129.01 18.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.135 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -136.54 149.89 48.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 20.4 pt -78.73 -27.99 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 12.5 m0 -111.44 131.88 54.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 820' ' ' LYS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 808' ' ' TYR . 23.0 tptm -53.11 -47.43 68.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.901 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 821' ' ' SER . . . . . 0.49 ' HA ' HD12 ' A' ' 824' ' ' ILE . 90.6 p -46.36 -53.04 11.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.893 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 69.6 mt -48.51 -39.57 23.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.961 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 823' ' ' LEU . . . . . 0.552 HD11 ' HA ' ' A' ' 810' ' ' CYS . 13.5 tp -70.11 -33.41 71.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 824' ' ' ILE . . . . . 0.49 HD12 ' HA ' ' A' ' 821' ' ' SER . 77.8 mt -67.81 -57.39 9.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 825' ' ' VAL . . . . . 0.487 ' O ' HG12 ' A' ' 825' ' ' VAL . 59.7 t -61.46 -10.07 3.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 826' ' ' HIS . . . . . 0.579 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 6.4 t60 -96.3 -56.14 2.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.811 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -39.95 -35.64 0.38 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.916 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 808' ' ' TYR . . . . . 0.618 ' HB3' HD22 ' A' ' 823' ' ' LEU . 14.2 m-85 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.871 0.367 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 809' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 810' ' ' CYS . 15.0 tt0 -145.73 107.99 4.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.873 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 810' ' ' CYS . . . . . 0.626 ' HA ' HD11 ' A' ' 823' ' ' LEU . 17.6 t -35.79 153.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -104.42 -33.04 8.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -60.45 -50.82 72.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.961 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 19.5 p -111.32 -49.05 3.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 122.91 13.3 4.57 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.498 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 815' ' ' LYS . . . . . 0.543 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 22.1 mmmt -53.78 174.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.796 0.331 . . . . 0.0 110.887 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 816' ' ' ALA . . . . . . . . . . . . . . . -136.38 140.05 42.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.115 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -147.92 123.43 10.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 18.5 pt -56.97 -27.24 26.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 11.3 m0 -109.68 157.31 19.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 820' ' ' LYS . . . . . 0.479 ' HE2' ' CE1' ' A' ' 808' ' ' TYR . 13.5 tppt? -76.01 -50.32 15.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 821' ' ' SER . . . . . 0.44 ' HA ' HD12 ' A' ' 824' ' ' ILE . 38.9 m -44.91 -54.3 6.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 40.4 mt -48.73 -37.59 19.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 823' ' ' LEU . . . . . 0.626 HD11 ' HA ' ' A' ' 810' ' ' CYS . 13.9 tp -72.3 -32.59 66.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 824' ' ' ILE . . . . . 0.44 HD12 ' HA ' ' A' ' 821' ' ' SER . 92.1 mt -68.37 -58.05 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 825' ' ' VAL . . . . . 0.417 HG23 ' H ' ' A' ' 825' ' ' VAL . 3.7 t -60.56 -10.31 2.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 826' ' ' HIS . . . . . 0.543 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 27.4 t60 -96.61 -58.83 1.95 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -40.72 -37.79 0.81 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.901 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 808' ' ' TYR . . . . . 0.561 ' CE1' ' HB2' ' A' ' 820' ' ' LYS . 18.9 m-85 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.852 0.358 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 809' ' ' GLU . . . . . 0.472 ' CG ' ' O ' ' A' ' 815' ' ' LYS . 12.5 tt0 -152.78 118.19 5.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 810' ' ' CYS . . . . . 0.677 ' HA ' HD11 ' A' ' 823' ' ' LEU . 13.9 t -44.52 155.34 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -102.49 -36.92 8.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -60.68 -61.57 2.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 20.9 p -96.84 -48.21 5.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 119.64 14.93 5.54 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.475 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 815' ' ' LYS . . . . . 0.537 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 1.8 mmpt? -50.89 166.21 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.827 0.346 . . . . 0.0 110.875 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 816' ' ' ALA . . . . . . . . . . . . . . . -128.83 124.63 35.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.073 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -128.54 149.06 50.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 818' ' ' ILE . . . . . 0.413 HG13 ' N ' ' A' ' 819' ' ' TRP . 41.4 pt -79.35 -33.43 15.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.139 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 819' ' ' TRP . . . . . 0.413 ' N ' HG13 ' A' ' 818' ' ' ILE . 17.6 m0 -111.07 147.45 34.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 820' ' ' LYS . . . . . 0.561 ' HB2' ' CE1' ' A' ' 808' ' ' TYR . 32.1 tptt -60.15 -62.19 2.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 821' ' ' SER . . . . . 0.531 ' HA ' HD12 ' A' ' 824' ' ' ILE . 90.8 p -35.3 -53.48 0.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 78.1 mt -45.77 -43.94 13.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 823' ' ' LEU . . . . . 0.677 HD11 ' HA ' ' A' ' 810' ' ' CYS . 16.5 tp -65.25 -35.31 80.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 824' ' ' ILE . . . . . 0.531 HD12 ' HA ' ' A' ' 821' ' ' SER . 83.9 mt -65.86 -59.12 4.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 825' ' ' VAL . . . . . . . . . . . . . 20.6 t -57.61 -12.03 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 826' ' ' HIS . . . . . 0.537 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 26.0 t60 -94.58 -58.46 2.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -38.87 -39.32 0.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 828' ' ' ARG . . . . . 0.425 ' NH1' ' HB2' ' A' ' 828' ' ' ARG . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 808' ' ' TYR . . . . . 0.511 ' CE1' ' HD3' ' A' ' 820' ' ' LYS . 26.3 m-85 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.883 0.373 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 809' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' A' ' 815' ' ' LYS . 15.8 tt0 -154.75 107.5 2.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 810' ' ' CYS . . . . . 0.446 ' C ' ' O ' ' A' ' 809' ' ' GLU . 8.0 t -34.37 151.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -104.74 -27.99 11.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -68.58 -47.59 66.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 24.4 p -111.14 -45.6 3.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 117.22 14.48 7.05 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.49 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 815' ' ' LYS . . . . . 0.561 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 24.8 mmtt -55.93 176.39 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.784 0.326 . . . . 0.0 110.903 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 816' ' ' ALA . . . . . 0.535 ' C ' ' CD1' ' A' ' 817' ' ' PHE . . . -134.31 152.31 51.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.097 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 817' ' ' PHE . . . . . 0.535 ' CD1' ' C ' ' A' ' 816' ' ' ALA . 6.3 m-85 -159.85 139.1 11.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.922 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 19.1 pt -74.64 -26.25 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.121 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 8.4 m0 -110.77 152.57 26.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 820' ' ' LYS . . . . . 0.511 ' HD3' ' CE1' ' A' ' 808' ' ' TYR . 55.1 tptt -70.91 -52.35 20.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 821' ' ' SER . . . . . . . . . . . . . 5.1 m -46.22 -52.17 12.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 77.1 mt -46.15 -38.9 8.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 823' ' ' LEU . . . . . 0.41 HD11 ' HA ' ' A' ' 810' ' ' CYS . 16.5 tp -71.46 -49.69 38.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 824' ' ' ILE . . . . . . . . . . . . . 85.9 mt -48.23 -59.17 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 825' ' ' VAL . . . . . . . . . . . . . 12.1 t -58.3 -19.85 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.085 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 826' ' ' HIS . . . . . 0.561 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 30.4 t60 -89.72 -27.78 19.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -74.24 -30.63 62.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 18.2 ptt180 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.912 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 808' ' ' TYR . . . . . 0.531 ' HB3' HD22 ' A' ' 823' ' ' LEU . 48.9 m-85 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.819 0.342 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 809' ' ' GLU . . . . . 0.422 ' CG ' ' O ' ' A' ' 815' ' ' LYS . 12.5 tt0 -138.01 111.2 7.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.939 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 810' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 809' ' ' GLU . 8.6 t -37.84 153.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -104.9 -32.39 8.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -62.56 -49.49 75.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 14.2 p -111.33 -49.54 3.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.864 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 120.84 16.66 4.42 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.438 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 815' ' ' LYS . . . . . 0.422 ' O ' ' CG ' ' A' ' 809' ' ' GLU . 4.2 mmpt? -56.51 175.7 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.804 0.335 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 816' ' ' ALA . . . . . . . . . . . . . . . -136.63 139.57 42.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.137 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -146.66 141.19 26.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.863 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 30.7 pt -76.31 -30.98 20.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.109 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 11.6 m0 -108.6 137.03 47.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 820' ' ' LYS . . . . . 0.502 ' HD3' ' CE1' ' A' ' 808' ' ' TYR . 56.1 tptt -58.79 -50.83 72.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 821' ' ' SER . . . . . 0.943 ' HA ' HD12 ' A' ' 824' ' ' ILE . 16.4 p -44.17 -42.26 6.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 72.3 mt -58.99 -42.21 89.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 823' ' ' LEU . . . . . 0.531 HD22 ' HB3' ' A' ' 808' ' ' TYR . 21.9 tp -63.3 -34.44 77.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.96 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 824' ' ' ILE . . . . . 0.943 HD12 ' HA ' ' A' ' 821' ' ' SER . 21.0 mt -65.5 -64.75 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.163 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 825' ' ' VAL . . . . . . . . . . . . . 16.9 t -50.36 -18.87 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 826' ' ' HIS . . . . . 0.431 ' O ' ' C ' ' A' ' 827' ' ' GLU . 39.2 t60 -88.32 -59.71 2.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 827' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 826' ' ' HIS . 32.2 mt-10 -36.04 -44.69 0.39 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.944 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 808' ' ' TYR . . . . . 0.473 ' CE1' ' HB2' ' A' ' 820' ' ' LYS . 52.9 m-85 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.854 0.359 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 809' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -128.83 118.78 23.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 810' ' ' CYS . . . . . . . . . . . . . 34.1 t -48.53 154.76 0.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -101.57 -29.88 11.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.921 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -67.63 -61.13 2.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 20.9 p -98.46 -46.55 5.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 117.61 14.86 6.63 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.505 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 815' ' ' LYS . . . . . 0.522 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 45.6 mmtt -53.76 175.02 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.769 0.318 . . . . 0.0 110.941 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 816' ' ' ALA . . . . . . . . . . . . . . . -138.83 139.44 38.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.125 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -145.72 141.65 28.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 37.8 pt -71.63 -30.77 39.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.078 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 20.2 m0 -113.14 145.94 40.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.927 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 820' ' ' LYS . . . . . 0.473 ' HB2' ' CE1' ' A' ' 808' ' ' TYR . 10.6 tppt? -64.24 -48.35 76.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.867 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 821' ' ' SER . . . . . 0.548 ' HA ' HD12 ' A' ' 824' ' ' ILE . 96.1 p -45.98 -44.08 14.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.805 -179.809 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 54.0 mt -58.13 -35.64 71.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 26.7 tp -72.1 -33.39 67.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.927 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 824' ' ' ILE . . . . . 0.548 HD12 ' HA ' ' A' ' 821' ' ' SER . 80.3 mt -64.9 -60.05 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.783 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 825' ' ' VAL . . . . . 0.479 ' O ' HG12 ' A' ' 825' ' ' VAL . 91.4 t -58.83 -11.0 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.088 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 826' ' ' HIS . . . . . 0.522 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 30.7 t60 -93.8 -55.63 3.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -41.01 -39.97 1.31 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 41.7 ptt85 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.913 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 808' ' ' TYR . . . . . 0.476 ' CZ ' ' HB2' ' A' ' 820' ' ' LYS . 32.4 m-85 . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.846 0.355 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 809' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -150.62 111.14 4.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.941 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 810' ' ' CYS . . . . . . . . . . . . . 32.6 t -41.51 156.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 17.8 t30 -103.83 -31.44 9.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -67.51 -57.13 7.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 23.1 p -100.24 -47.04 5.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 114.36 17.25 7.23 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.464 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 815' ' ' LYS . . . . . 0.48 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 2.3 mmpt? -55.09 176.7 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.737 0.303 . . . . 0.0 110.927 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 816' ' ' ALA . . . . . . . . . . . . . . . -141.48 134.66 29.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.13 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -139.67 144.93 37.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 28.1 pt -74.09 -25.91 20.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.126 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 18.1 m0 -115.93 152.48 33.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 820' ' ' LYS . . . . . 0.476 ' HB2' ' CZ ' ' A' ' 808' ' ' TYR . 32.1 tptt -67.49 -58.53 4.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 821' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 820' ' ' LYS . 26.2 m -37.61 -50.16 1.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 78.6 mt -49.58 -42.07 43.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 823' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 820' ' ' LYS . 12.6 tp -67.07 -37.76 84.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 824' ' ' ILE . . . . . . . . . . . . . 79.4 mt -64.02 -60.83 2.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.112 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 825' ' ' VAL . . . . . . . . . . . . . 14.1 t -60.36 -9.51 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 826' ' ' HIS . . . . . 0.48 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 11.4 t60 -93.2 -59.34 2.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -44.17 -39.54 4.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 17.6 ptt180 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.863 -179.941 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 808' ' ' TYR . . . . . 0.686 ' HB3' HD22 ' A' ' 823' ' ' LEU . 5.2 m-85 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.84 0.353 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 809' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 810' ' ' CYS . 10.3 tt0 -146.58 107.5 4.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 810' ' ' CYS . . . . . 0.422 ' C ' ' O ' ' A' ' 809' ' ' GLU . 23.0 t -36.03 152.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.917 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -105.62 -28.43 10.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -66.8 -47.34 72.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.845 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 21.7 p -113.22 -45.42 3.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 118.06 13.6 7.02 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.491 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 815' ' ' LYS . . . . . 0.559 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 16.4 mmtm -54.32 173.42 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.766 0.317 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 816' ' ' ALA . . . . . . . . . . . . . . . -138.08 133.17 33.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.136 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -135.67 149.31 49.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.85 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 24.7 pt -82.15 -26.18 9.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.143 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 819' ' ' TRP . . . . . 0.452 ' HB2' ' CD1' ' A' ' 822' ' ' LEU . 11.8 m0 -115.67 149.38 38.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 820' ' ' LYS . . . . . 0.516 ' HE3' ' CE1' ' A' ' 808' ' ' TYR . 3.0 tppp? -66.94 -53.35 32.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 821' ' ' SER . . . . . 0.781 ' HA ' HD12 ' A' ' 824' ' ' ILE . 91.6 p -46.07 -36.83 6.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 822' ' ' LEU . . . . . 0.452 ' CD1' ' HB2' ' A' ' 819' ' ' TRP . 76.4 mt -65.34 -35.87 82.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.907 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 823' ' ' LEU . . . . . 0.686 HD22 ' HB3' ' A' ' 808' ' ' TYR . 23.0 tp -72.62 -28.64 62.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 824' ' ' ILE . . . . . 0.781 HD12 ' HA ' ' A' ' 821' ' ' SER . 40.0 mt -70.66 -57.52 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 825' ' ' VAL . . . . . 0.43 ' O ' HG12 ' A' ' 825' ' ' VAL . 57.9 t -58.75 -13.09 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 826' ' ' HIS . . . . . 0.559 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 35.4 t60 -96.56 -54.96 3.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -47.57 -33.68 6.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.909 -179.93 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 808' ' ' TYR . . . . . 0.604 ' HB3' HD22 ' A' ' 823' ' ' LEU . 16.3 m-85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.857 0.36 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 809' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 810' ' ' CYS . 10.5 tt0 -152.13 107.82 3.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 810' ' ' CYS . . . . . 0.433 ' C ' ' O ' ' A' ' 809' ' ' GLU . 14.6 t -35.45 152.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -103.56 -35.96 8.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -58.7 -55.49 34.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 19.7 p -105.63 -49.17 3.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 122.86 14.0 4.36 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.476 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 815' ' ' LYS . . . . . 0.574 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 18.1 mmmt -51.92 165.86 0.18 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.82 0.343 . . . . 0.0 110.865 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 816' ' ' ALA . . . . . . . . . . . . . . . -128.92 140.69 51.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 817' ' ' PHE . . . . . 0.49 ' CZ ' ' HB3' ' A' ' 815' ' ' LYS . 6.2 m-85 -147.03 140.85 25.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 9.2 pt -78.3 -23.44 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.132 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 7.3 m0 -114.87 144.26 43.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 820' ' ' LYS . . . . . 0.523 ' HB2' ' CZ ' ' A' ' 808' ' ' TYR . 16.9 tptm -62.52 -56.07 21.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 821' ' ' SER . . . . . 0.58 ' HA ' HD12 ' A' ' 824' ' ' ILE . 76.3 p -40.73 -51.11 3.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 71.4 mt -49.62 -40.92 40.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.936 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 823' ' ' LEU . . . . . 0.604 HD22 ' HB3' ' A' ' 808' ' ' TYR . 17.8 tp -68.08 -32.26 72.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 824' ' ' ILE . . . . . 0.58 HD12 ' HA ' ' A' ' 821' ' ' SER . 70.1 mt -69.88 -47.43 69.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 825' ' ' VAL . . . . . . . . . . . . . 23.9 t -65.59 -18.13 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.107 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 826' ' ' HIS . . . . . 0.574 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 39.1 t60 -92.45 -47.65 7.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -44.88 -30.71 1.04 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.939 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 808' ' ' TYR . . . . . 0.453 ' CZ ' ' HB2' ' A' ' 820' ' ' LYS . 23.3 m-85 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.84 0.352 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 809' ' ' GLU . . . . . 0.429 ' CG ' ' O ' ' A' ' 815' ' ' LYS . 20.9 tt0 -150.86 112.91 4.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.925 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 810' ' ' CYS . . . . . 0.608 ' HA ' HD11 ' A' ' 823' ' ' LEU . 12.9 t -39.53 153.52 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -104.12 -35.14 8.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -60.49 -52.13 66.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 9.8 p -107.07 -49.63 3.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.84 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 122.45 11.53 5.54 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.468 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 815' ' ' LYS . . . . . 0.429 ' O ' ' CG ' ' A' ' 809' ' ' GLU . 0.0 OUTLIER -55.08 172.0 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.79 0.328 . . . . 0.0 110.873 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 816' ' ' ALA . . . . . . . . . . . . . . . -133.2 133.77 43.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.115 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -134.38 132.51 39.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 11.0 pt -67.06 -25.36 33.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.087 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 7.8 m0 -114.85 144.38 43.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 820' ' ' LYS . . . . . 0.453 ' HB2' ' CZ ' ' A' ' 808' ' ' TYR . 20.4 tptm -60.76 -60.62 3.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.884 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 821' ' ' SER . . . . . 0.619 ' HA ' HD12 ' A' ' 824' ' ' ILE . 50.4 m -37.61 -52.65 1.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 76.9 mt -46.67 -41.28 14.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 823' ' ' LEU . . . . . 0.608 HD11 ' HA ' ' A' ' 810' ' ' CYS . 11.6 tp -68.89 -36.44 78.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 824' ' ' ILE . . . . . 0.619 HD12 ' HA ' ' A' ' 821' ' ' SER . 67.3 mt -64.1 -59.63 3.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.165 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 825' ' ' VAL . . . . . 0.5 ' O ' HG12 ' A' ' 825' ' ' VAL . 83.1 t -60.35 -9.65 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.117 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 826' ' ' HIS . . . . . 0.424 ' O ' ' C ' ' A' ' 827' ' ' GLU . 38.4 t60 -94.88 -64.04 1.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 827' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 826' ' ' HIS . 59.7 mt-10 -36.37 -39.06 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 828' ' ' ARG . . . . . 0.477 ' NE ' ' HA ' ' A' ' 825' ' ' VAL . 9.5 ptp180 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 42.7 m -100.1 86.85 3.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.901 0.382 . . . . 0.0 110.862 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 798' ' ' SER . . . . . . . . . . . . . 46.7 t -84.05 42.42 0.87 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . -81.02 -67.28 1.55 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.436 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 6.5 t 69.73 42.73 1.04 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.873 0.368 . . . . 0.0 110.89 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 801' ' ' SER . . . . . . . . . . . . . 1.4 t -154.36 156.76 37.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.894 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 802' ' ' GLY . . . . . . . . . . . . . . . 133.18 113.91 1.48 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.458 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 86.9 p -71.84 153.18 42.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.945 0.402 . . . . 0.0 110.818 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 170.1 37.46 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.511 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -108.71 33.61 4.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.891 0.377 . . . . 0.0 110.876 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 806' ' ' LYS . . . . . 0.451 ' HD3' ' N ' ' A' ' 806' ' ' LYS . 0.0 OUTLIER -105.59 143.18 26.3 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.573 0.702 . . . . 0.0 110.914 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 807' ' ' PRO . . . . . 0.49 ' HG2' ' CD2' ' A' ' 808' ' ' TYR . 53.9 Cg_endo -69.72 -16.98 38.0 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.675 2.25 . . . . 0.0 112.382 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 808' ' ' TYR . . . . . 0.536 ' CE1' ' HD3' ' A' ' 820' ' ' LYS . 55.9 m-85 -125.73 145.0 50.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 809' ' ' GLU . . . . . 0.412 ' CG ' ' O ' ' A' ' 815' ' ' LYS . 21.7 tt0 -154.33 110.02 3.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 810' ' ' CYS . . . . . 0.696 ' HA ' HD11 ' A' ' 823' ' ' LEU . 13.6 t -37.95 152.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -101.1 -33.71 10.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 812' ' ' GLU . . . . . 0.447 ' HB2' ' CD2' ' A' ' 830' ' ' HIS . 57.5 mm-40 -60.62 -60.72 3.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.873 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 20.8 p -99.53 -49.37 4.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 121.51 14.73 4.75 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.452 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 815' ' ' LYS . . . . . 0.427 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 39.5 mmtt -56.31 174.41 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.802 0.334 . . . . 0.0 110.844 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 816' ' ' ALA . . . . . . . . . . . . . . . -130.96 146.43 52.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.066 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -151.46 124.81 8.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 21.8 pt -59.96 -28.27 40.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.097 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 9.0 m0 -110.5 156.2 21.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.939 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 820' ' ' LYS . . . . . 0.536 ' HD3' ' CE1' ' A' ' 808' ' ' TYR . 17.5 tptp -71.46 -58.55 3.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.918 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 821' ' ' SER . . . . . . . . . . . . . 19.7 m -41.48 -52.37 3.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.811 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 70.8 mt -46.23 -39.02 9.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 823' ' ' LEU . . . . . 0.696 HD11 ' HA ' ' A' ' 810' ' ' CYS . 14.4 tp -72.71 -37.65 67.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 824' ' ' ILE . . . . . . . . . . . . . 90.6 mt -63.4 -57.84 10.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.125 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 825' ' ' VAL . . . . . 0.496 ' O ' HG12 ' A' ' 825' ' ' VAL . 93.9 t -60.06 -9.88 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.159 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 826' ' ' HIS . . . . . 0.427 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 17.3 t60 -95.16 -56.18 2.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -39.18 -36.12 0.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 828' ' ' ARG . . . . . 0.494 ' O ' ' N ' ' A' ' 830' ' ' HIS . 2.8 ptm85 -54.94 -45.09 74.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 829' ' ' THR . . . . . . . . . . . . . 52.8 p -38.39 -26.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.09 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 830' ' ' HIS . . . . . 0.494 ' N ' ' O ' ' A' ' 828' ' ' ARG . 90.3 m-70 -89.43 43.5 1.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.841 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -128.21 81.42 2.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.103 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 832' ' ' GLY . . . . . . . . . . . . . . . 40.59 54.88 3.32 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.527 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 11.9 p -77.81 -30.39 16.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.856 0.36 . . . . 0.0 111.131 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 95.8 p -140.56 167.68 21.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.835 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 835' ' ' GLY . . . . . . . . . . . . . . . -91.99 -167.5 40.16 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.487 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 836' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 91.54 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.694 2.263 . . . . 0.0 112.326 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 837' ' ' SER . . . . . . . . . . . . . 2.8 m -90.69 41.68 1.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.871 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 838' ' ' SER . . . . . . . . . . . . . 3.3 t -167.18 169.68 12.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 839' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.464 179.988 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 54.9 p -173.87 164.61 4.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.895 0.379 . . . . 0.0 110.83 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 798' ' ' SER . . . . . . . . . . . . . 78.7 p -109.39 117.46 34.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.842 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . 73.85 91.54 0.14 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.518 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 75.8 p -74.32 129.81 38.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.885 0.374 . . . . 0.0 110.869 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 801' ' ' SER . . . . . . . . . . . . . 3.3 m -139.73 160.38 40.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 802' ' ' GLY . . . . . . . . . . . . . . . -110.72 -116.16 3.67 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.485 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 4.8 m -157.62 132.54 8.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.964 0.411 . . . . 0.0 110.897 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 69.25 170.4 6.98 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -113.94 24.0 12.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.908 0.385 . . . . 0.0 110.911 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 806' ' ' LYS . . . . . 0.551 ' HE3' ' HB1' ' A' ' 816' ' ' ALA . 0.0 OUTLIER -47.75 143.24 6.18 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.588 0.708 . . . . 0.0 110.916 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 807' ' ' PRO . . . . . 0.559 ' HG2' ' CD2' ' A' ' 808' ' ' TYR . 53.2 Cg_endo -69.76 -40.89 4.79 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.701 2.267 . . . . 0.0 112.352 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 808' ' ' TYR . . . . . 0.566 ' CE1' ' HB2' ' A' ' 820' ' ' LYS . 20.9 m-85 -100.1 131.94 45.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 809' ' ' GLU . . . . . 0.432 ' CG ' ' O ' ' A' ' 815' ' ' LYS . 11.9 tt0 -143.59 110.1 5.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 810' ' ' CYS . . . . . 0.507 ' HA ' HD11 ' A' ' 823' ' ' LEU . 11.6 t -36.59 151.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.931 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -101.45 -31.35 10.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 812' ' ' GLU . . . . . 0.481 ' HG3' ' CG ' ' A' ' 830' ' ' HIS . 1.7 tm-20 -63.89 -58.8 5.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 17.5 p -99.88 -48.8 4.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 119.52 14.97 5.58 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.443 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 815' ' ' LYS . . . . . 0.432 ' O ' ' CG ' ' A' ' 809' ' ' GLU . 19.3 mmtm -57.27 169.27 0.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.807 0.337 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 816' ' ' ALA . . . . . 0.551 ' HB1' ' HE3' ' A' ' 806' ' ' LYS . . . -131.42 139.66 49.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.101 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -145.95 127.91 15.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 34.4 pt -58.64 -26.82 32.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.166 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 16.7 m0 -114.72 146.73 40.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.957 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 820' ' ' LYS . . . . . 0.566 ' HB2' ' CE1' ' A' ' 808' ' ' TYR . 18.2 tptm -67.34 -52.48 39.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.898 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 821' ' ' SER . . . . . 0.837 ' HA ' HD12 ' A' ' 824' ' ' ILE . 95.9 p -41.09 -49.87 3.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.827 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 68.0 mt -50.56 -41.92 54.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 823' ' ' LEU . . . . . 0.507 HD11 ' HA ' ' A' ' 810' ' ' CYS . 24.0 tp -65.84 -35.57 81.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.948 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 824' ' ' ILE . . . . . 0.837 HD12 ' HA ' ' A' ' 821' ' ' SER . 40.6 mt -64.63 -57.29 11.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 825' ' ' VAL . . . . . 0.438 ' O ' HG12 ' A' ' 825' ' ' VAL . 23.1 t -63.29 -9.65 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.109 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 826' ' ' HIS . . . . . 0.501 ' O ' HG23 ' A' ' 829' ' ' THR . 14.3 t60 -93.82 -57.38 2.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -43.91 -45.15 7.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -44.04 -37.37 2.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.896 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 829' ' ' THR . . . . . 0.501 HG23 ' O ' ' A' ' 826' ' ' HIS . 70.1 p -48.07 -49.38 31.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.11 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 830' ' ' HIS . . . . . 0.481 ' CG ' ' HG3' ' A' ' 812' ' ' GLU . 96.0 m-70 -57.37 -23.65 50.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.833 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -85.16 44.71 1.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.068 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 832' ' ' GLY . . . . . . . . . . . . . . . -110.63 -48.96 0.71 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.463 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 32.7 m -97.65 156.98 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.856 0.36 . . . . 0.0 111.125 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 1.1 t -113.26 -61.94 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 835' ' ' GLY . . . . . . . . . . . . . . . 96.32 146.24 20.55 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.445 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 836' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.76 -17.38 37.6 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.653 2.235 . . . . 0.0 112.316 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 837' ' ' SER . . . . . . . . . . . . . 38.0 p -46.16 -61.08 1.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 838' ' ' SER . . . . . . . . . . . . . 40.4 t -126.18 133.6 51.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 839' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.473 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 74.4 p 39.43 42.19 0.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.87 0.367 . . . . 0.0 110.851 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 798' ' ' SER . . . . . . . . . . . . . 30.3 t -88.88 166.39 14.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . 133.87 -72.18 0.48 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.472 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 2.4 t -46.48 132.71 10.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.846 0.355 . . . . 0.0 110.907 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 801' ' ' SER . . . . . . . . . . . . . 73.1 m -92.61 85.28 5.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.839 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 802' ' ' GLY . . . . . . . . . . . . . . . 49.28 -144.98 7.85 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.467 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 77.6 p -86.39 151.23 23.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.879 0.371 . . . . 0.0 110.891 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 104.78 170.01 24.41 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.469 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -160.36 162.56 33.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.939 0.399 . . . . 0.0 110.88 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 806' ' ' LYS . . . . . 0.548 ' HB2' ' HB1' ' A' ' 816' ' ' ALA . 2.4 mptp? -67.91 143.02 96.01 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.585 0.707 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 807' ' ' PRO . . . . . 0.529 ' HG2' ' CD2' ' A' ' 808' ' ' TYR . 53.6 Cg_endo -69.86 -25.81 27.76 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.668 2.246 . . . . 0.0 112.324 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 808' ' ' TYR . . . . . 0.529 ' CD2' ' HG2' ' A' ' 807' ' ' PRO . 42.7 m-85 -113.14 130.15 56.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.911 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 809' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -138.08 114.96 10.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 810' ' ' CYS . . . . . . . . . . . . . 29.5 t -44.84 153.3 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -99.99 -29.45 12.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.28 -62.37 1.43 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 22.4 p -97.09 -48.32 5.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 118.85 15.83 5.61 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.441 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 815' ' ' LYS . . . . . 0.562 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 14.0 mmmt -53.09 173.83 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.769 0.318 . . . . 0.0 110.886 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 816' ' ' ALA . . . . . 0.548 ' HB1' ' HB2' ' A' ' 806' ' ' LYS . . . -135.42 139.67 44.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.102 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -144.54 149.92 36.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 19.7 pt -83.42 -25.12 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 15.3 m0 -118.55 144.81 45.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.932 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 820' ' ' LYS . . . . . 0.404 ' HB2' ' CZ ' ' A' ' 808' ' ' TYR . 19.4 tptp -60.66 -50.22 74.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 821' ' ' SER . . . . . 0.573 ' HA ' HD12 ' A' ' 824' ' ' ILE . 57.6 p -45.22 -50.33 11.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 75.3 mt -50.71 -41.03 55.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 15.4 tp -66.28 -40.66 90.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 824' ' ' ILE . . . . . 0.573 HD12 ' HA ' ' A' ' 821' ' ' SER . 59.6 mt -60.21 -60.11 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 825' ' ' VAL . . . . . . . . . . . . . 4.9 t -55.82 -13.39 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.112 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 826' ' ' HIS . . . . . 0.562 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 30.8 t60 -91.59 -59.13 2.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 827' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 826' ' ' HIS . 41.4 mt-10 -36.29 -43.17 0.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 828' ' ' ARG . . . . . 0.429 ' CG ' ' N ' ' A' ' 829' ' ' THR . 6.9 ptm180 -48.03 -47.02 33.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 829' ' ' THR . . . . . 0.429 ' N ' ' CG ' ' A' ' 828' ' ' ARG . 73.6 p -39.16 -37.67 0.42 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 830' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -81.91 40.42 0.61 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -122.17 111.33 16.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.143 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 832' ' ' GLY . . . . . . . . . . . . . . . 137.4 -66.56 0.54 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.48 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 2.5 p -133.82 137.45 52.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.806 0.336 . . . . 0.0 111.152 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 4.3 m -113.97 110.4 20.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.815 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 835' ' ' GLY . . . . . . . . . . . . . . . -78.11 -93.2 0.28 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.489 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 836' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 124.78 11.42 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.712 2.275 . . . . 0.0 112.336 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 837' ' ' SER . . . . . . . . . . . . . 44.5 t -101.36 118.5 37.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.874 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 838' ' ' SER . . . . . . . . . . . . . 17.4 t -131.82 128.0 37.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.857 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 839' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.475 -179.962 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 4.0 m -128.53 113.72 15.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.871 0.367 . . . . 0.0 110.886 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 798' ' ' SER . . . . . . . . . . . . . 90.8 p -132.63 174.0 10.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . 160.4 69.16 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.484 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 65.6 p -85.21 102.02 12.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.893 0.378 . . . . 0.0 110.837 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 801' ' ' SER . . . . . . . . . . . . . 5.6 t -117.87 95.68 5.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 802' ' ' GLY . . . . . . . . . . . . . . . 79.96 96.55 0.33 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.536 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 50.9 m -104.22 41.53 1.3 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.896 0.379 . . . . 0.0 110.859 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 148.56 65.94 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.51 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -128.97 44.27 3.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.915 0.388 . . . . 0.0 110.9 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 806' ' ' LYS . . . . . 0.553 ' HD3' ' HB1' ' A' ' 816' ' ' ALA . 8.7 mptt -119.51 143.3 34.34 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.563 0.697 . . . . 0.0 110.92 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 807' ' ' PRO . . . . . 0.555 ' HG2' ' CD2' ' A' ' 808' ' ' TYR . 53.9 Cg_endo -69.81 -17.29 37.44 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.684 2.256 . . . . 0.0 112.307 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 808' ' ' TYR . . . . . 0.555 ' CD2' ' HG2' ' A' ' 807' ' ' PRO . 19.6 m-85 -120.17 131.21 54.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.927 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 809' ' ' GLU . . . . . 0.457 ' CG ' ' O ' ' A' ' 815' ' ' LYS . 12.2 tt0 -144.32 114.16 7.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.873 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 810' ' ' CYS . . . . . . . . . . . . . 49.4 t -39.02 152.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -103.81 -24.57 13.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 812' ' ' GLU . . . . . 0.518 ' HG2' ' CG ' ' A' ' 830' ' ' HIS . 4.7 tp10 -71.4 -54.45 10.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 20.6 p -104.84 -49.1 3.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.861 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 122.6 13.54 4.64 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.477 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 815' ' ' LYS . . . . . 0.558 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 2.3 mmmp? -54.65 168.39 0.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.841 0.353 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 816' ' ' ALA . . . . . 0.553 ' HB1' ' HD3' ' A' ' 806' ' ' LYS . . . -129.1 140.58 51.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -147.38 134.83 20.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 10.7 pt -72.7 -19.98 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 819' ' ' TRP . . . . . 0.435 ' HB2' ' CD1' ' A' ' 822' ' ' LEU . 7.3 m0 -117.7 149.44 40.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 820' ' ' LYS . . . . . 0.407 ' HE3' ' CE1' ' A' ' 808' ' ' TYR . 2.7 tppp? -68.39 -54.53 16.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 821' ' ' SER . . . . . 0.753 ' HA ' HD12 ' A' ' 824' ' ' ILE . 51.2 m -44.33 -46.01 9.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 822' ' ' LEU . . . . . 0.435 ' CD1' ' HB2' ' A' ' 819' ' ' TRP . 78.4 mt -54.13 -37.47 64.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 15.7 tp -70.24 -33.64 71.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 824' ' ' ILE . . . . . 0.753 HD12 ' HA ' ' A' ' 821' ' ' SER . 44.1 mt -66.7 -61.44 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 825' ' ' VAL . . . . . . . . . . . . . 44.8 t -54.47 -14.49 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.112 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 826' ' ' HIS . . . . . 0.831 ' O ' HG22 ' A' ' 829' ' ' THR . 37.2 t60 -92.97 -55.32 3.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -48.6 -22.79 0.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.832 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 5.0 ptt-85 -64.63 -41.77 95.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 829' ' ' THR . . . . . 0.831 HG22 ' O ' ' A' ' 826' ' ' HIS . 10.8 t -54.5 -22.74 13.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.187 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 830' ' ' HIS . . . . . 0.518 ' CG ' ' HG2' ' A' ' 812' ' ' GLU . 87.5 m-70 -83.81 35.1 0.51 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -108.59 45.27 1.04 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 832' ' ' GLY . . . . . . . . . . . . . . . 139.75 -138.72 9.39 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.51 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 833' ' ' VAL . . . . . 0.484 HG11 ' HB2' ' A' ' 838' ' ' SER . 27.3 t -45.44 141.76 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.874 0.369 . . . . 0.0 111.122 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 2.2 t -52.97 -54.56 33.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 835' ' ' GLY . . . . . . . . . . . . . . . -119.99 144.08 17.14 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.467 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 836' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -3.9 12.94 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.67 2.246 . . . . 0.0 112.348 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 837' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 838' ' ' SER . 2.3 m -75.41 -45.84 36.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 838' ' ' SER . . . . . 0.484 ' HB2' HG11 ' A' ' 833' ' ' VAL . 33.2 m -35.04 140.65 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.847 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 839' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.53 -179.987 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 4.1 m -156.6 164.79 37.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.844 0.354 . . . . 0.0 110.852 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 798' ' ' SER . . . . . . . . . . . . . 2.3 m -125.3 126.84 45.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.857 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . -166.4 113.56 0.55 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.513 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 10.5 m -164.77 140.35 5.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.867 0.365 . . . . 0.0 110.88 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 801' ' ' SER . . . . . . . . . . . . . 6.6 t -172.33 172.09 4.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 802' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 803' ' ' SER . . . -176.35 92.02 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.516 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 803' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 802' ' ' GLY . 71.1 p -35.71 116.21 0.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.894 0.378 . . . . 0.0 110.844 -179.709 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 69.92 143.19 0.18 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.532 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -79.29 142.01 36.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.904 0.383 . . . . 0.0 110.854 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 806' ' ' LYS . . . . . 0.617 ' HG3' ' HB1' ' A' ' 816' ' ' ALA . 25.9 mmtm -79.95 141.74 55.21 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.587 0.708 . . . . 0.0 110.917 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 807' ' ' PRO . . . . . 0.555 ' HG2' ' CD2' ' A' ' 808' ' ' TYR . 53.6 Cg_endo -69.78 -48.57 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.703 2.269 . . . . 0.0 112.284 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 808' ' ' TYR . . . . . 0.713 ' HB3' HD22 ' A' ' 823' ' ' LEU . 4.0 m-85 -101.82 161.11 13.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.929 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 809' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 810' ' ' CYS . 8.0 tt0 -166.09 107.78 0.73 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.885 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 810' ' ' CYS . . . . . 0.515 ' HA ' HD11 ' A' ' 823' ' ' LEU . 17.5 t -35.42 152.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.849 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -103.97 -36.04 7.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 812' ' ' GLU . . . . . 0.497 ' HG3' ' CG ' ' A' ' 830' ' ' HIS . 0.1 OUTLIER -56.97 -53.14 61.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 19.7 p -108.04 -49.53 3.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 122.85 14.14 4.32 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.487 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 815' ' ' LYS . . . . . 0.575 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 31.9 mmtm -55.33 163.89 1.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.785 0.326 . . . . 0.0 110.875 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 816' ' ' ALA . . . . . 0.617 ' HB1' ' HG3' ' A' ' 806' ' ' LYS . . . -126.74 142.54 51.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -147.49 128.26 14.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 818' ' ' ILE . . . . . 0.408 HG13 ' N ' ' A' ' 819' ' ' TRP . 19.0 pt -61.78 -29.12 45.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.085 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 819' ' ' TRP . . . . . 0.408 ' N ' HG13 ' A' ' 818' ' ' ILE . 10.4 m0 -110.17 155.39 22.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 820' ' ' LYS . . . . . 0.513 ' HB2' ' CZ ' ' A' ' 808' ' ' TYR . 19.3 tptm -71.25 -59.56 2.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 821' ' ' SER . . . . . 0.631 ' HA ' HD12 ' A' ' 824' ' ' ILE . 23.5 m -37.78 -54.51 1.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.819 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 53.4 mt -46.5 -39.98 11.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 823' ' ' LEU . . . . . 0.713 HD22 ' HB3' ' A' ' 808' ' ' TYR . 57.7 tp -68.18 -35.04 77.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.946 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 824' ' ' ILE . . . . . 0.631 HD12 ' HA ' ' A' ' 821' ' ' SER . 56.3 mt -67.33 -57.21 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 825' ' ' VAL . . . . . 0.414 ' O ' HG12 ' A' ' 825' ' ' VAL . 61.7 t -55.61 -14.09 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.169 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 826' ' ' HIS . . . . . 0.797 ' O ' HG22 ' A' ' 829' ' ' THR . 25.7 t60 -96.28 -54.18 3.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.823 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -41.07 -29.93 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 828' ' ' ARG . . . . . 0.412 ' O ' ' N ' ' A' ' 830' ' ' HIS . 9.0 ptm180 -68.67 -41.55 79.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 829' ' ' THR . . . . . 0.797 HG22 ' O ' ' A' ' 826' ' ' HIS . 6.3 t -43.69 -22.43 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.115 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 830' ' ' HIS . . . . . 0.497 ' CG ' ' HG3' ' A' ' 812' ' ' GLU . 97.8 m-70 -88.36 39.49 0.91 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -125.44 87.99 2.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 832' ' ' GLY . . . . . . . . . . . . . . . -171.39 -111.3 0.25 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 30.8 m -115.37 131.89 66.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.828 0.347 . . . . 0.0 111.161 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 53.8 p -131.17 147.72 52.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.835 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 835' ' ' GLY . . . . . . . . . . . . . . . -158.88 -67.69 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.489 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 836' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 2.83 3.17 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.674 2.249 . . . . 0.0 112.389 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 837' ' ' SER . . . . . . . . . . . . . 26.2 m -114.58 137.04 52.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.838 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 838' ' ' SER . . . . . . . . . . . . . 33.5 t -153.88 121.47 5.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 839' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.46 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 15.3 m -81.16 97.17 7.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.913 0.387 . . . . 0.0 110.853 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 798' ' ' SER . . . . . . . . . . . . . 38.6 t -63.59 136.54 57.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.901 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . 173.31 -132.42 2.33 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.454 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 3.2 t -117.33 88.05 2.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.891 0.377 . . . . 0.0 110.852 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 801' ' ' SER . . . . . . . . . . . . . 7.1 m -119.63 104.23 10.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.831 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 802' ' ' GLY . . . . . . . . . . . . . . . 113.1 51.21 0.52 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.474 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 3.4 m -102.07 172.53 6.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.904 0.383 . . . . 0.0 110.875 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 114.62 48.26 0.55 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.533 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -112.71 42.76 1.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.904 0.383 . . . . 0.0 110.872 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 806' ' ' LYS . . . . . 0.451 ' HD2' ' N ' ' A' ' 806' ' ' LYS . 7.8 mptt -121.89 142.91 37.3 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.604 0.716 . . . . 0.0 110.901 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 807' ' ' PRO . . . . . 0.534 ' HG2' ' CD2' ' A' ' 808' ' ' TYR . 53.8 Cg_endo -69.81 -50.17 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.666 2.244 . . . . 0.0 112.337 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 808' ' ' TYR . . . . . 0.593 ' HB3' HD22 ' A' ' 823' ' ' LEU . 13.4 m-85 -93.98 146.16 24.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.956 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 809' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -151.23 110.74 3.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 810' ' ' CYS . . . . . 0.514 ' HA ' HD11 ' A' ' 823' ' ' LEU . 15.0 t -39.02 159.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -109.9 -32.46 7.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 812' ' ' GLU . . . . . 0.484 ' HB2' ' CD2' ' A' ' 830' ' ' HIS . 2.0 mp0 -63.59 -46.3 86.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 12.1 p -114.36 -48.82 2.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 121.25 12.9 5.54 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.47 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 815' ' ' LYS . . . . . 0.522 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 31.0 mmtt -52.65 167.9 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.783 0.325 . . . . 0.0 110.91 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 816' ' ' ALA . . . . . . . . . . . . . . . -133.19 130.61 39.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.098 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 817' ' ' PHE . . . . . 0.402 ' CD1' ' N ' ' A' ' 817' ' ' PHE . 2.8 m-85 -134.36 134.03 41.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 23.9 pt -65.68 -23.75 33.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.137 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 13.4 m0 -115.98 156.47 26.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 820' ' ' LYS . . . . . 0.536 ' HD3' ' CE1' ' A' ' 808' ' ' TYR . 17.8 tptm -72.33 -56.73 5.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 821' ' ' SER . . . . . 0.698 ' HA ' HD12 ' A' ' 824' ' ' ILE . 1.9 m -40.24 -54.38 2.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 70.0 mt -45.93 -41.99 12.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.944 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 823' ' ' LEU . . . . . 0.593 HD22 ' HB3' ' A' ' 808' ' ' TYR . 44.4 tp -67.33 -35.18 78.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.972 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 824' ' ' ILE . . . . . 0.698 HD12 ' HA ' ' A' ' 821' ' ' SER . 39.5 mt -68.8 -53.75 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 825' ' ' VAL . . . . . 0.509 ' O ' HG12 ' A' ' 825' ' ' VAL . 91.3 t -64.49 -8.51 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 826' ' ' HIS . . . . . 0.522 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 13.4 t60 -95.68 -56.38 2.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -40.92 -40.48 1.39 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 31.9 ptt180 -47.58 -44.19 26.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 829' ' ' THR . . . . . . . . . . . . . 62.5 p -41.27 -47.43 3.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.154 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 830' ' ' HIS . . . . . 0.484 ' CD2' ' HB2' ' A' ' 812' ' ' GLU . 99.3 m-70 -58.37 -46.09 87.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.812 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -38.61 -44.88 1.02 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.098 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 832' ' ' GLY . . . . . . . . . . . . . . . -61.0 141.96 48.38 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.483 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 833' ' ' VAL . . . . . 0.519 HG13 ' O ' ' A' ' 833' ' ' VAL . 12.3 p -86.49 119.18 34.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.827 0.346 . . . . 0.0 111.118 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 26.9 t -109.68 41.45 1.68 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.796 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 835' ' ' GLY . . . . . . . . . . . . . . . -177.58 166.77 37.36 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.443 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 836' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -49.49 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.639 2.226 . . . . 0.0 112.322 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 837' ' ' SER . . . . . . . . . . . . . 50.1 m -113.8 -45.92 3.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.856 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 838' ' ' SER . . . . . . . . . . . . . 34.7 t -59.44 135.26 57.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.847 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 839' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.461 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 56.0 p -58.12 -45.13 87.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.911 0.386 . . . . 0.0 110.894 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 798' ' ' SER . . . . . . . . . . . . . 3.1 m -55.82 95.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.847 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . -140.12 42.28 1.23 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.496 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 30.6 p -57.14 -54.96 40.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.867 0.365 . . . . 0.0 110.848 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 801' ' ' SER . . . . . . . . . . . . . 8.5 t -122.63 169.28 11.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 802' ' ' GLY . . . . . . . . . . . . . . . -56.0 -102.37 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.468 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 52.0 p -68.05 -44.25 76.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.847 0.355 . . . . 0.0 110.826 -179.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 67.16 -115.31 7.06 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.499 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 39.08 50.51 1.82 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.873 0.368 . . . . 0.0 110.938 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 806' ' ' LYS . . . . . 0.488 ' HB2' ' HB1' ' A' ' 816' ' ' ALA . 0.2 OUTLIER -44.4 143.26 2.06 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.57 0.7 . . . . 0.0 110.891 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 807' ' ' PRO . . . . . 0.569 ' HG2' ' CD1' ' A' ' 808' ' ' TYR . 53.6 Cg_endo -69.72 -43.32 2.76 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.689 2.259 . . . . 0.0 112.345 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 808' ' ' TYR . . . . . 0.569 ' CD1' ' HG2' ' A' ' 807' ' ' PRO . 43.2 m-85 -83.64 128.19 34.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.936 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 809' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -136.69 114.43 11.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 810' ' ' CYS . . . . . 0.578 ' HA ' HD11 ' A' ' 823' ' ' LEU . 8.3 t -41.9 153.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 -101.53 -33.67 9.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -63.04 -62.29 1.81 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 20.2 p -97.74 -48.51 5.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 121.26 14.41 4.98 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.457 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.55 175.81 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.803 0.335 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 816' ' ' ALA . . . . . 0.488 ' HB1' ' HB2' ' A' ' 806' ' ' LYS . . . -136.64 141.41 43.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.099 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -145.45 140.62 27.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 818' ' ' ILE . . . . . 0.481 HG22 ' HG3' ' A' ' 806' ' ' LYS . 13.2 pt -74.12 -24.78 19.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.157 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 819' ' ' TRP . . . . . 0.436 ' HB2' ' CD1' ' A' ' 822' ' ' LEU . 9.1 m0 -113.92 146.46 40.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 820' ' ' LYS . . . . . 0.551 ' HD3' ' CE2' ' A' ' 808' ' ' TYR . 38.1 tptt -64.73 -58.82 5.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 821' ' ' SER . . . . . 0.718 ' HA ' HD12 ' A' ' 824' ' ' ILE . 19.9 m -41.24 -49.2 3.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 822' ' ' LEU . . . . . 0.436 ' CD1' ' HB2' ' A' ' 819' ' ' TRP . 93.6 mt -50.26 -40.75 48.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.935 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 823' ' ' LEU . . . . . 0.578 HD11 ' HA ' ' A' ' 810' ' ' CYS . 16.0 tp -67.25 -35.87 80.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.939 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 824' ' ' ILE . . . . . 0.718 HD12 ' HA ' ' A' ' 821' ' ' SER . 61.1 mt -63.54 -63.24 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 825' ' ' VAL . . . . . 0.473 ' HA ' ' NE ' ' A' ' 828' ' ' ARG . 97.6 t -52.39 -16.11 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.142 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 826' ' ' HIS . . . . . 0.475 ' O ' HG23 ' A' ' 829' ' ' THR . 35.3 t60 -90.02 -60.23 1.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 827' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 826' ' ' HIS . 26.4 mt-10 -37.98 -46.17 0.96 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 828' ' ' ARG . . . . . 0.473 ' NE ' ' HA ' ' A' ' 825' ' ' VAL . 10.2 ptp180 -49.62 -44.05 47.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 829' ' ' THR . . . . . 0.475 HG23 ' O ' ' A' ' 826' ' ' HIS . 55.8 p -39.07 -35.52 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 830' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -78.85 47.23 0.74 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -136.49 145.39 45.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 832' ' ' GLY . . . . . . . . . . . . . . . 110.07 -41.12 2.32 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.471 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 833' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 834' ' ' SER . 98.8 t -45.74 112.69 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.797 0.332 . . . . 0.0 111.153 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 834' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 833' ' ' VAL . 32.7 t -34.68 -67.67 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 835' ' ' GLY . . . . . . . . . . . . . . . 177.25 146.23 6.11 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.505 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 836' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 837' ' ' SER . 53.3 Cg_endo -69.79 0.36 5.78 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.653 2.235 . . . . 0.0 112.344 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 837' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 836' ' ' PRO . 4.0 m -34.7 -66.19 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 838' ' ' SER . . . . . . . . . . . . . 29.5 p -48.26 137.25 11.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.843 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 839' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.474 -179.996 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 32.3 t -74.44 124.45 26.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.899 0.38 . . . . 0.0 110.857 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 798' ' ' SER . . . . . . . . . . . . . 97.2 p -41.55 -47.35 3.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.844 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . -177.07 159.24 25.48 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.441 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 43.4 m -75.56 166.91 22.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.906 0.384 . . . . 0.0 110.826 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 801' ' ' SER . . . . . . . . . . . . . 75.1 m -76.69 84.78 3.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.873 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 802' ' ' GLY . . . . . . . . . . . . . . . -111.88 141.42 16.65 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.456 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 88.0 p -92.74 42.53 1.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.94 0.4 . . . . 0.0 110.858 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 149.24 176.22 22.31 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.521 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -75.04 160.72 30.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.964 0.412 . . . . 0.0 110.865 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 806' ' ' LYS . . . . . 0.586 ' HD3' ' HB1' ' A' ' 816' ' ' ALA . 10.8 mptt -104.7 143.23 26.28 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.561 0.695 . . . . 0.0 110.914 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 807' ' ' PRO . . . . . 0.543 ' HG2' ' CD2' ' A' ' 808' ' ' TYR . 53.1 Cg_endo -69.77 -14.56 36.23 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.676 2.251 . . . . 0.0 112.324 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 808' ' ' TYR . . . . . 0.543 ' CD2' ' HG2' ' A' ' 807' ' ' PRO . 37.2 m-85 -120.55 123.65 43.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 809' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -132.6 113.29 12.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 810' ' ' CYS . . . . . . . . . . . . . 49.3 t -41.36 156.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -106.31 -33.6 7.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 812' ' ' GLU . . . . . 0.583 ' HB3' ' CE1' ' A' ' 830' ' ' HIS . 16.5 mm-40 -59.54 -51.99 67.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 16.7 p -113.0 -48.22 2.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 126.38 9.05 4.68 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.507 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 815' ' ' LYS . . . . . 0.563 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 19.2 mmtm -50.21 171.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.787 0.327 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 816' ' ' ALA . . . . . 0.586 ' HB1' ' HD3' ' A' ' 806' ' ' LYS . . . -132.1 152.76 51.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.079 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 817' ' ' PHE . . . . . 0.459 ' CG ' ' C ' ' A' ' 816' ' ' ALA . 3.7 m-85 -158.96 130.73 6.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 15.6 pt -71.27 -19.29 20.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.079 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 819' ' ' TRP . . . . . 0.48 ' HB2' ' CD1' ' A' ' 822' ' ' LEU . 8.6 m0 -117.65 133.57 55.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -55.06 -56.32 21.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 821' ' ' SER . . . . . 0.932 ' HA ' HD12 ' A' ' 824' ' ' ILE . 55.8 p -40.37 -47.62 2.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 822' ' ' LEU . . . . . 0.48 ' CD1' ' HB2' ' A' ' 819' ' ' TRP . 65.6 mt -54.21 -43.33 70.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 15.7 tp -61.97 -35.15 77.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 824' ' ' ILE . . . . . 0.932 HD12 ' HA ' ' A' ' 821' ' ' SER . 20.0 mt -66.23 -63.64 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.098 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 825' ' ' VAL . . . . . 0.448 ' C ' ' HG2' ' A' ' 828' ' ' ARG . 11.1 t -49.0 -20.14 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 826' ' ' HIS . . . . . 0.563 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 47.1 t60 -89.29 -61.68 1.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -45.12 -21.57 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 828' ' ' ARG . . . . . 0.459 ' HG3' ' N ' ' A' ' 829' ' ' THR . 2.4 ptp180 -81.75 -35.95 29.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 829' ' ' THR . . . . . 0.481 HG22 ' O ' ' A' ' 826' ' ' HIS . 1.1 t -56.37 -34.54 66.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.177 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 830' ' ' HIS . . . . . 0.583 ' CE1' ' HB3' ' A' ' 812' ' ' GLU . 25.0 m-70 -49.91 -43.24 49.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -54.13 117.39 3.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 832' ' ' GLY . . . . . . . . . . . . . . . 159.79 57.95 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.51 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 833' ' ' VAL . . . . . 0.43 HG23 ' N ' ' A' ' 834' ' ' SER . 30.3 m -39.37 -41.98 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.826 0.346 . . . . 0.0 111.139 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 834' ' ' SER . . . . . 0.43 ' N ' HG23 ' A' ' 833' ' ' VAL . 22.4 m 51.95 43.3 30.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.833 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 835' ' ' GLY . . . . . . . . . . . . . . . -145.32 153.3 25.18 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 836' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 115.36 4.06 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.732 2.288 . . . . 0.0 112.342 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 837' ' ' SER . . . . . . . . . . . . . 87.6 p -47.81 141.26 5.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.83 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 838' ' ' SER . . . . . . . . . . . . . 52.2 p -85.31 127.51 34.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 839' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.467 179.99 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 77.4 p -145.31 125.72 13.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.895 0.379 . . . . 0.0 110.844 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 798' ' ' SER . . . . . . . . . . . . . 1.1 t -158.26 141.14 14.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.873 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . 159.41 -124.0 1.3 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.464 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 87.6 p 45.06 41.62 5.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.871 0.367 . . . . 0.0 110.836 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 801' ' ' SER . . . . . . . . . . . . . 68.8 m -69.99 93.02 0.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 802' ' ' GLY . . . . . . . . . . . . . . . 57.56 81.55 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.517 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 34.7 p -38.43 -48.81 1.41 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.869 0.366 . . . . 0.0 110.847 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . -177.46 88.96 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.476 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -100.65 4.7 43.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.932 0.396 . . . . 0.0 110.914 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 806' ' ' LYS . . . . . 0.446 ' HB2' ' HB1' ' A' ' 816' ' ' ALA . 1.8 mppt? -70.01 141.16 89.03 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.621 0.724 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 807' ' ' PRO . . . . . 0.562 ' HG2' ' CD2' ' A' ' 808' ' ' TYR . 53.8 Cg_endo -69.77 -44.18 2.22 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.7 2.267 . . . . 0.0 112.348 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 808' ' ' TYR . . . . . 0.562 ' CD2' ' HG2' ' A' ' 807' ' ' PRO . 21.1 m-85 -95.68 142.04 28.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.907 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 809' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -148.9 114.51 5.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 810' ' ' CYS . . . . . 0.554 ' HA ' HD11 ' A' ' 823' ' ' LEU . 15.9 t -45.14 156.37 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.932 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -104.77 -34.4 8.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.68 -51.16 70.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 13.1 p -110.72 -49.47 3.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 121.74 16.31 4.15 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.458 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 815' ' ' LYS . . . . . 0.499 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 5.8 mmpt? -55.63 173.85 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 110.906 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 816' ' ' ALA . . . . . 0.446 ' HB1' ' HB2' ' A' ' 806' ' ' LYS . . . -133.1 143.52 49.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.102 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -146.6 137.51 24.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 10.3 pt -71.91 -21.35 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.107 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 9.2 m0 -118.25 160.34 21.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.953 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 820' ' ' LYS . . . . . 0.509 ' HD3' ' CE1' ' A' ' 808' ' ' TYR . 19.3 tptm -73.77 -56.15 5.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 821' ' ' SER . . . . . . . . . . . . . 30.4 p -41.92 -51.52 4.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 60.5 mt -47.26 -35.86 8.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.95 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 823' ' ' LEU . . . . . 0.554 HD11 ' HA ' ' A' ' 810' ' ' CYS . 13.1 tp -76.12 -34.51 59.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 824' ' ' ILE . . . . . . . . . . . . . 83.1 mt -68.12 -51.56 47.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 825' ' ' VAL . . . . . . . . . . . . . 4.6 t -66.96 -11.27 13.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.141 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 826' ' ' HIS . . . . . 0.973 ' O ' HG22 ' A' ' 829' ' ' THR . 30.2 t60 -94.9 -57.86 2.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -42.41 -26.77 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 828' ' ' ARG . . . . . 0.444 ' HG3' ' N ' ' A' ' 829' ' ' THR . 11.3 ptm180 -83.58 -34.65 25.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 829' ' ' THR . . . . . 0.973 HG22 ' O ' ' A' ' 826' ' ' HIS . 6.1 t -51.26 -17.95 0.83 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 830' ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -71.37 -43.87 66.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -47.14 -53.59 12.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 832' ' ' GLY . . . . . . . . . . . . . . . -79.16 -106.79 0.22 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.503 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 31.9 m -144.81 164.51 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.88 0.371 . . . . 0.0 111.099 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 34.9 t -122.09 -49.6 2.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 835' ' ' GLY . . . . . . . . . . . . . . . -146.32 169.51 27.59 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.466 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 836' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 167.81 23.34 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.711 2.274 . . . . 0.0 112.336 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 837' ' ' SER . . . . . . . . . . . . . 53.9 p -47.45 149.2 1.16 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 838' ' ' SER . . . . . . . . . . . . . 4.0 t -74.21 -54.35 7.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 839' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.466 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.433 -0.267 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 64.7 p -67.55 149.04 50.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.862 0.363 . . . . 0.0 110.863 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 798' ' ' SER . . . . . . . . . . . . . 93.6 p -60.02 168.28 1.94 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.851 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . 91.96 42.36 4.72 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.522 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 78.4 p 42.36 42.5 2.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.89 0.376 . . . . 0.0 110.861 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 801' ' ' SER . . . . . . . . . . . . . 53.6 p -51.73 149.63 4.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 802' ' ' GLY . . . . . . . . . . . . . . . 174.22 99.67 0.12 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.492 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 20.0 t -56.63 164.15 1.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.857 0.361 . . . . 0.0 110.879 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . -45.36 146.35 2.29 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.502 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 21.7 mp0 -77.9 130.42 36.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.94 0.4 . . . . 0.0 110.884 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 806' ' ' LYS . . . . . 0.799 ' HG3' ' HB1' ' A' ' 816' ' ' ALA . 30.3 mmtm -64.52 140.98 98.14 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.549 0.69 . . . . 0.0 110.908 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 807' ' ' PRO . . . . . 0.503 ' HG2' ' CD2' ' A' ' 808' ' ' TYR . 53.4 Cg_endo -69.78 -30.97 21.34 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.657 2.238 . . . . 0.0 112.291 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 808' ' ' TYR . . . . . 0.567 ' HB3' HD22 ' A' ' 823' ' ' LEU . 32.5 m-85 -115.67 130.58 56.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 809' ' ' GLU . . . . . 0.477 ' CG ' ' O ' ' A' ' 815' ' ' LYS . 12.0 tt0 -138.57 108.85 6.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 810' ' ' CYS . . . . . . . . . . . . . 13.4 t -39.04 151.95 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.927 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -100.21 -32.29 10.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 812' ' ' GLU . . . . . 0.48 ' HG2' ' CG ' ' A' ' 830' ' ' HIS . 12.7 tp10 -61.85 -59.35 5.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 10.4 p -100.47 -50.86 3.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 121.5 18.5 3.67 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 815' ' ' LYS . . . . . 0.547 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 18.2 mmtp -57.44 174.9 0.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.827 0.346 . . . . 0.0 110.91 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 816' ' ' ALA . . . . . 0.799 ' HB1' ' HG3' ' A' ' 806' ' ' LYS . . . -140.04 138.1 35.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.115 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -148.51 142.2 25.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 818' ' ' ILE . . . . . 0.554 HG23 ' HE3' ' A' ' 806' ' ' LYS . 27.9 pt -73.75 -35.41 43.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.09 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 819' ' ' TRP . . . . . 0.471 ' N ' HG13 ' A' ' 818' ' ' ILE . 9.7 m0 -102.49 135.74 43.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 820' ' ' LYS . . . . . 0.423 ' HB2' ' CZ ' ' A' ' 808' ' ' TYR . 15.8 tptm -56.57 -55.98 27.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.874 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 821' ' ' SER . . . . . 0.604 ' HA ' HD12 ' A' ' 824' ' ' ILE . 44.9 p -38.5 -53.43 1.56 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.86 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 56.2 mt -47.2 -43.82 21.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.938 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 823' ' ' LEU . . . . . 0.567 HD22 ' HB3' ' A' ' 808' ' ' TYR . 17.0 tp -65.07 -37.16 86.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 824' ' ' ILE . . . . . 0.604 HD12 ' HA ' ' A' ' 821' ' ' SER . 66.9 mt -64.27 -59.05 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.125 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 825' ' ' VAL . . . . . 0.477 ' O ' HG12 ' A' ' 825' ' ' VAL . 92.4 t -58.38 -11.53 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.124 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 826' ' ' HIS . . . . . 0.547 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 10.4 t60 -92.42 -60.28 1.87 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.825 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -41.15 -44.21 2.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.882 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 828' ' ' ARG . . . . . 0.422 ' HG3' ' N ' ' A' ' 829' ' ' THR . 6.3 ptm180 -45.39 -41.67 9.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 829' ' ' THR . . . . . 0.422 ' N ' ' HG3' ' A' ' 828' ' ' ARG . 78.6 p -43.5 -50.5 7.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 830' ' ' HIS . . . . . 0.48 ' CG ' ' HG2' ' A' ' 812' ' ' GLU . 95.1 m-70 -52.51 -47.61 66.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -43.29 114.45 0.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 832' ' ' GLY . . . . . . . . . . . . . . . 156.92 157.04 8.15 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.462 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 33.8 m -121.35 40.58 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.866 0.365 . . . . 0.0 111.145 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 6.9 t -142.81 142.59 31.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 835' ' ' GLY . . . . . . . . . . . . . . . -136.69 -176.87 14.6 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.486 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 836' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 160.1 50.97 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.709 2.272 . . . . 0.0 112.385 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 837' ' ' SER . . . . . . . . . . . . . 33.5 t -55.17 134.6 49.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.849 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 838' ' ' SER . . . . . . . . . . . . . 61.0 p -113.09 42.26 1.94 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 839' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.515 -179.993 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 98.7 p -87.65 153.47 21.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.881 0.372 . . . . 0.0 110.844 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 798' ' ' SER . . . . . . . . . . . . . 10.4 t -120.47 86.1 2.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . -154.63 40.71 0.63 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.447 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 800' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 801' ' ' SER . 2.6 t -61.93 135.65 57.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.853 0.358 . . . . 0.0 110.879 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 801' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 800' ' ' SER . 8.8 t -36.59 151.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 802' ' ' GLY . . . . . . . . . . . . . . . 174.88 -47.44 0.13 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.486 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 3.5 m -121.96 107.36 12.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 0.0 110.876 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 135.52 49.43 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.426 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 805' ' ' GLU . . . . . 0.4 ' OE2' ' O ' ' A' ' 806' ' ' LYS . 1.9 tm-20 -110.3 113.53 26.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.902 0.382 . . . . 0.0 110.911 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 806' ' ' LYS . . . . . 0.542 ' HB2' ' HB1' ' A' ' 816' ' ' ALA . 40.9 mmtm -87.95 142.09 31.93 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.589 0.709 . . . . 0.0 110.896 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 807' ' ' PRO . . . . . 0.566 ' HG2' ' CD2' ' A' ' 808' ' ' TYR . 53.6 Cg_endo -69.74 -24.02 30.24 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.683 2.255 . . . . 0.0 112.335 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 808' ' ' TYR . . . . . 0.57 ' CE1' ' HB2' ' A' ' 820' ' ' LYS . 44.0 m-85 -114.39 130.61 56.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 809' ' ' GLU . . . . . 0.439 ' CG ' ' O ' ' A' ' 815' ' ' LYS . 18.1 tt0 -137.83 119.28 14.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.857 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 810' ' ' CYS . . . . . 0.552 ' HA ' HD11 ' A' ' 823' ' ' LEU . 38.2 t -51.02 156.81 0.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -101.47 -33.8 9.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -62.75 -60.83 2.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 12.4 p -98.87 -50.43 4.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 122.06 13.0 5.1 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.503 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 815' ' ' LYS . . . . . 0.579 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 31.5 mmtt -50.24 176.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.331 . . . . 0.0 110.897 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 816' ' ' ALA . . . . . 0.542 ' HB1' ' HB2' ' A' ' 806' ' ' LYS . . . -144.51 129.01 18.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.135 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -136.54 149.89 48.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 20.4 pt -78.73 -27.99 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 12.5 m0 -111.44 131.88 54.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 820' ' ' LYS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 808' ' ' TYR . 23.0 tptm -53.11 -47.43 68.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.901 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 821' ' ' SER . . . . . 0.49 ' HA ' HD12 ' A' ' 824' ' ' ILE . 90.6 p -46.36 -53.04 11.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.893 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 69.6 mt -48.51 -39.57 23.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.961 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 823' ' ' LEU . . . . . 0.552 HD11 ' HA ' ' A' ' 810' ' ' CYS . 13.5 tp -70.11 -33.41 71.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 824' ' ' ILE . . . . . 0.49 HD12 ' HA ' ' A' ' 821' ' ' SER . 77.8 mt -67.81 -57.39 9.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 825' ' ' VAL . . . . . 0.487 ' O ' HG12 ' A' ' 825' ' ' VAL . 59.7 t -61.46 -10.07 3.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 826' ' ' HIS . . . . . 0.886 ' O ' HG22 ' A' ' 829' ' ' THR . 6.4 t60 -96.3 -56.14 2.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.811 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -39.95 -35.64 0.38 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 828' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 830' ' ' HIS . 17.7 ptt180 -58.82 -43.72 90.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 829' ' ' THR . . . . . 0.886 HG22 ' O ' ' A' ' 826' ' ' HIS . 13.6 t -40.83 -26.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.135 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 830' ' ' HIS . . . . . 0.436 ' N ' ' O ' ' A' ' 828' ' ' ARG . 99.0 m-70 -81.57 41.44 0.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -129.6 102.99 6.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.1 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 832' ' ' GLY . . . . . . . . . . . . . . . 154.52 -179.62 30.51 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.491 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 5.3 m -69.3 132.76 32.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.352 . . . . 0.0 111.1 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 2.4 t -164.91 120.81 1.42 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 835' ' ' GLY . . . . . . . . . . . . . . . -57.69 -174.12 0.35 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.498 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 836' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 146.19 59.18 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.69 2.26 . . . . 0.0 112.337 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 837' ' ' SER . . . . . . . . . . . . . 32.7 p -141.82 173.74 11.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 838' ' ' SER . . . . . . . . . . . . . 25.3 m -150.36 145.62 26.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.847 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 839' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.454 179.988 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 44.7 t -153.31 109.58 3.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.909 0.385 . . . . 0.0 110.888 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 798' ' ' SER . . . . . . . . . . . . . 3.8 t -51.07 -58.39 6.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.858 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . 81.35 67.29 1.54 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.491 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 25.5 p -108.1 175.44 5.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.908 0.385 . . . . 0.0 110.827 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 801' ' ' SER . . . . . . . . . . . . . 44.5 m -108.16 80.99 1.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 802' ' ' GLY . . . . . . . . . . . . . . . 68.33 163.26 2.61 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.512 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 36.0 m -155.46 110.23 2.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.911 0.386 . . . . 0.0 110.797 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . -60.66 149.37 43.73 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.521 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -79.57 136.49 36.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.881 0.372 . . . . 0.0 110.952 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 806' ' ' LYS . . . . . 0.622 ' HE2' ' HB1' ' A' ' 816' ' ' ALA . 2.6 mppt? -79.09 142.55 59.74 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.602 0.715 . . . . 0.0 110.911 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 807' ' ' PRO . . . . . 0.574 ' HG2' ' CD2' ' A' ' 808' ' ' TYR . 53.9 Cg_endo -69.73 -28.69 25.09 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.71 2.274 . . . . 0.0 112.319 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 808' ' ' TYR . . . . . 0.618 ' HB3' HD22 ' A' ' 823' ' ' LEU . 14.2 m-85 -114.75 137.67 51.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 809' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 810' ' ' CYS . 15.0 tt0 -145.73 107.99 4.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.873 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 810' ' ' CYS . . . . . 0.626 ' HA ' HD11 ' A' ' 823' ' ' LEU . 17.6 t -35.79 153.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -104.42 -33.04 8.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 812' ' ' GLU . . . . . 0.549 ' HB2' ' CD2' ' A' ' 830' ' ' HIS . 21.4 mm-40 -60.45 -50.82 72.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.961 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 19.5 p -111.32 -49.05 3.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 122.91 13.3 4.57 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.498 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 815' ' ' LYS . . . . . 0.543 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 22.1 mmmt -53.78 174.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.796 0.331 . . . . 0.0 110.887 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 816' ' ' ALA . . . . . 0.622 ' HB1' ' HE2' ' A' ' 806' ' ' LYS . . . -136.38 140.05 42.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.115 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -147.92 123.43 10.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 18.5 pt -56.97 -27.24 26.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 11.3 m0 -109.68 157.31 19.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 820' ' ' LYS . . . . . 0.479 ' HE2' ' CE1' ' A' ' 808' ' ' TYR . 13.5 tppt? -76.01 -50.32 15.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 821' ' ' SER . . . . . 0.44 ' HA ' HD12 ' A' ' 824' ' ' ILE . 38.9 m -44.91 -54.3 6.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 40.4 mt -48.73 -37.59 19.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 823' ' ' LEU . . . . . 0.626 HD11 ' HA ' ' A' ' 810' ' ' CYS . 13.9 tp -72.3 -32.59 66.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 824' ' ' ILE . . . . . 0.44 HD12 ' HA ' ' A' ' 821' ' ' SER . 92.1 mt -68.37 -58.05 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 825' ' ' VAL . . . . . 0.417 HG23 ' H ' ' A' ' 825' ' ' VAL . 3.7 t -60.56 -10.31 2.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 826' ' ' HIS . . . . . 0.81 ' O ' HG22 ' A' ' 829' ' ' THR . 27.4 t60 -96.61 -58.83 1.95 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -40.72 -37.79 0.81 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 828' ' ' ARG . . . . . 0.473 ' HG3' ' N ' ' A' ' 829' ' ' THR . 8.2 ptm180 -58.54 -42.03 86.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 829' ' ' THR . . . . . 0.81 HG22 ' O ' ' A' ' 826' ' ' HIS . 5.6 t -44.28 -23.58 0.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.164 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 830' ' ' HIS . . . . . 0.549 ' CD2' ' HB2' ' A' ' 812' ' ' GLU . 97.9 m-70 -85.11 39.09 0.75 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -133.95 93.55 3.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.092 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 832' ' ' GLY . . . . . . . . . . . . . . . 106.43 132.52 7.14 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.534 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 96.2 t -85.37 100.35 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.818 0.342 . . . . 0.0 111.171 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 8.4 t -130.15 175.98 8.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 835' ' ' GLY . . . . . . . . . . . . . . . 62.63 146.39 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 836' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 117.9 5.36 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.728 2.286 . . . . 0.0 112.351 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 837' ' ' SER . . . . . . . . . . . . . 45.4 m -138.36 136.09 35.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 838' ' ' SER . . . . . . . . . . . . . 15.0 t -40.7 -49.98 3.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 839' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.458 179.95 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 41.9 p -132.16 148.8 52.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.901 0.381 . . . . 0.0 110.832 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 798' ' ' SER . . . . . . . . . . . . . 49.1 m -75.19 -46.66 32.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.861 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . -139.8 126.51 3.29 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.456 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 3.1 m -59.21 -50.7 73.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.874 0.369 . . . . 0.0 110.879 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 801' ' ' SER . . . . . . . . . . . . . 1.9 t -133.41 101.49 5.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 802' ' ' GLY . . . . . . . . . . . . . . . 137.62 146.63 5.11 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.544 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 45.3 t -89.27 -60.39 1.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.898 0.38 . . . . 0.0 110.853 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 126.19 39.06 0.43 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.494 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -127.57 33.82 4.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.881 0.372 . . . . 0.0 110.866 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 806' ' ' LYS . . . . . 0.774 ' HD3' ' HB1' ' A' ' 816' ' ' ALA . 2.6 mptp? -128.13 143.28 47.37 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.533 0.683 . . . . 0.0 110.924 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 807' ' ' PRO . . . . . 0.533 ' HG2' ' CD2' ' A' ' 808' ' ' TYR . 54.1 Cg_endo -69.71 -22.37 32.4 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.692 2.261 . . . . 0.0 112.387 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 808' ' ' TYR . . . . . 0.561 ' CE1' ' HB2' ' A' ' 820' ' ' LYS . 18.9 m-85 -126.01 146.67 49.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.97 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 809' ' ' GLU . . . . . 0.472 ' CG ' ' O ' ' A' ' 815' ' ' LYS . 12.5 tt0 -152.78 118.19 5.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 810' ' ' CYS . . . . . 0.677 ' HA ' HD11 ' A' ' 823' ' ' LEU . 13.9 t -44.52 155.34 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -102.49 -36.92 8.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -60.68 -61.57 2.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 20.9 p -96.84 -48.21 5.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 119.64 14.93 5.54 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.475 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 815' ' ' LYS . . . . . 0.537 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 1.8 mmpt? -50.89 166.21 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.827 0.346 . . . . 0.0 110.875 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 816' ' ' ALA . . . . . 0.774 ' HB1' ' HD3' ' A' ' 806' ' ' LYS . . . -128.83 124.63 35.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.073 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -128.54 149.06 50.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 818' ' ' ILE . . . . . 0.413 HG13 ' N ' ' A' ' 819' ' ' TRP . 41.4 pt -79.35 -33.43 15.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.139 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 819' ' ' TRP . . . . . 0.413 ' N ' HG13 ' A' ' 818' ' ' ILE . 17.6 m0 -111.07 147.45 34.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 820' ' ' LYS . . . . . 0.561 ' HB2' ' CE1' ' A' ' 808' ' ' TYR . 32.1 tptt -60.15 -62.19 2.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 821' ' ' SER . . . . . 0.531 ' HA ' HD12 ' A' ' 824' ' ' ILE . 90.8 p -35.3 -53.48 0.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 78.1 mt -45.77 -43.94 13.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 823' ' ' LEU . . . . . 0.677 HD11 ' HA ' ' A' ' 810' ' ' CYS . 16.5 tp -65.25 -35.31 80.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 824' ' ' ILE . . . . . 0.531 HD12 ' HA ' ' A' ' 821' ' ' SER . 83.9 mt -65.86 -59.12 4.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 825' ' ' VAL . . . . . . . . . . . . . 20.6 t -57.61 -12.03 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 826' ' ' HIS . . . . . 0.838 ' O ' HG22 ' A' ' 829' ' ' THR . 26.0 t60 -94.58 -58.46 2.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -38.87 -39.32 0.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 828' ' ' ARG . . . . . 0.425 ' NH1' ' HB2' ' A' ' 828' ' ' ARG . 1.0 OUTLIER -56.97 -43.71 81.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 829' ' ' THR . . . . . 0.838 HG22 ' O ' ' A' ' 826' ' ' HIS . 6.3 t -43.83 -23.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 830' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -79.72 -41.6 26.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -44.58 100.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.048 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 832' ' ' GLY . . . . . . . . . . . . . . . -148.47 -61.14 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.461 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 85.2 t -37.26 137.36 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.86 0.362 . . . . 0.0 111.101 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 1.1 t -90.76 81.4 5.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 835' ' ' GLY . . . . . . . . . . . . . . . -64.59 -90.62 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.488 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 836' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 121.2 7.9 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.681 2.254 . . . . 0.0 112.348 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 837' ' ' SER . . . . . . . . . . . . . 35.4 m -70.17 -45.64 66.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 838' ' ' SER . . . . . . . . . . . . . 54.0 p -85.23 128.04 34.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 839' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.496 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 68.9 m -140.93 124.86 17.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.889 0.376 . . . . 0.0 110.852 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 798' ' ' SER . . . . . . . . . . . . . 16.2 m -116.25 141.64 47.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.846 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . -132.01 114.41 1.48 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.497 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 52.5 m -91.62 -60.01 1.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.862 0.363 . . . . 0.0 110.839 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 801' ' ' SER . . . . . . . . . . . . . 51.9 p 39.5 42.22 0.85 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 802' ' ' GLY . . . . . . . . . . . . . . . 101.25 98.09 2.32 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.469 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 1.1 t -55.16 165.46 0.7 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.906 0.384 . . . . 0.0 110.901 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 55.86 -179.01 0.45 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.472 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -125.92 144.96 50.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.944 0.402 . . . . 0.0 110.839 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 806' ' ' LYS . . . . . 0.595 ' CD ' ' HB1' ' A' ' 816' ' ' ALA . 19.1 mttp -103.44 142.77 25.27 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.603 0.716 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 807' ' ' PRO . . . . . 0.582 ' HG2' ' CD2' ' A' ' 808' ' ' TYR . 53.7 Cg_endo -69.76 -39.76 6.12 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.704 2.269 . . . . 0.0 112.362 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 808' ' ' TYR . . . . . 0.582 ' CD2' ' HG2' ' A' ' 807' ' ' PRO . 26.3 m-85 -94.64 142.83 26.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 809' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' A' ' 815' ' ' LYS . 15.8 tt0 -154.75 107.5 2.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 810' ' ' CYS . . . . . 0.446 ' C ' ' O ' ' A' ' 809' ' ' GLU . 8.0 t -34.37 151.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -104.74 -27.99 11.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 812' ' ' GLU . . . . . 0.516 ' HG2' ' CG ' ' A' ' 830' ' ' HIS . 2.2 tp10 -68.58 -47.59 66.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 24.4 p -111.14 -45.6 3.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 117.22 14.48 7.05 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.49 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 815' ' ' LYS . . . . . 0.561 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 24.8 mmtt -55.93 176.39 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.784 0.326 . . . . 0.0 110.903 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 816' ' ' ALA . . . . . 0.595 ' HB1' ' CD ' ' A' ' 806' ' ' LYS . . . -134.31 152.31 51.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.097 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 817' ' ' PHE . . . . . 0.535 ' CD1' ' C ' ' A' ' 816' ' ' ALA . 6.3 m-85 -159.85 139.1 11.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.922 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 19.1 pt -74.64 -26.25 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.121 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 8.4 m0 -110.77 152.57 26.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 820' ' ' LYS . . . . . 0.511 ' HD3' ' CE1' ' A' ' 808' ' ' TYR . 55.1 tptt -70.91 -52.35 20.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 821' ' ' SER . . . . . . . . . . . . . 5.1 m -46.22 -52.17 12.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 77.1 mt -46.15 -38.9 8.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 823' ' ' LEU . . . . . 0.41 HD11 ' HA ' ' A' ' 810' ' ' CYS . 16.5 tp -71.46 -49.69 38.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 824' ' ' ILE . . . . . . . . . . . . . 85.9 mt -48.23 -59.17 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 825' ' ' VAL . . . . . . . . . . . . . 12.1 t -58.3 -19.85 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.085 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 826' ' ' HIS . . . . . 0.884 ' O ' HG22 ' A' ' 829' ' ' THR . 30.4 t60 -89.72 -27.78 19.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -74.24 -30.63 62.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 18.2 ptt180 -67.77 -34.64 77.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 829' ' ' THR . . . . . 0.884 HG22 ' O ' ' A' ' 826' ' ' HIS . 3.4 t -61.47 -17.72 55.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 830' ' ' HIS . . . . . 0.516 ' CG ' ' HG2' ' A' ' 812' ' ' GLU . 59.9 m-70 -84.87 34.42 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -118.73 -48.83 2.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.094 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 832' ' ' GLY . . . . . . . . . . . . . . . 74.44 153.82 3.42 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 833' ' ' VAL . . . . . 0.519 ' O ' HG23 ' A' ' 833' ' ' VAL . 22.5 m -60.83 112.18 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.867 0.365 . . . . 0.0 111.185 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 834' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 833' ' ' VAL . 22.7 t 34.02 41.95 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 835' ' ' GLY . . . . . . . . . . . . . . . -42.79 -69.55 0.61 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.462 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 836' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 112.66 3.13 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.66 2.24 . . . . 0.0 112.344 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 837' ' ' SER . . . . . . . . . . . . . 67.1 p -99.33 81.19 2.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 838' ' ' SER . . . . . . . . . . . . . 24.9 p -98.57 -43.87 6.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.806 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 839' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.497 -179.993 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 79.0 p -96.5 101.53 13.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.903 0.382 . . . . 0.0 110.87 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 798' ' ' SER . . . . . . . . . . . . . 71.7 m -136.86 177.19 8.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . 161.54 125.58 0.78 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.5 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 4.7 m -117.55 103.89 10.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.865 0.364 . . . . 0.0 110.842 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 801' ' ' SER . . . . . . . . . . . . . 93.9 p -131.75 132.15 43.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 802' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 803' ' ' SER . . . 103.32 -118.93 6.21 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.45 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 803' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 802' ' ' GLY . 3.6 m 37.67 42.12 0.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.941 0.4 . . . . 0.0 110.876 -179.714 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 167.19 93.02 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.502 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -78.97 144.02 35.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.939 0.4 . . . . 0.0 110.853 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 806' ' ' LYS . . . . . 0.569 ' HD3' ' HB1' ' A' ' 816' ' ' ALA . 1.7 mptp? -105.13 142.99 25.83 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.563 0.697 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 807' ' ' PRO . . . . . 0.406 ' HG2' ' CD2' ' A' ' 808' ' ' TYR . 54.2 Cg_endo -69.8 -15.2 36.82 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.708 2.272 . . . . 0.0 112.329 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 808' ' ' TYR . . . . . 0.531 ' HB3' HD22 ' A' ' 823' ' ' LEU . 48.9 m-85 -128.79 129.46 45.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 809' ' ' GLU . . . . . 0.422 ' CG ' ' O ' ' A' ' 815' ' ' LYS . 12.5 tt0 -138.01 111.2 7.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.939 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 810' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 809' ' ' GLU . 8.6 t -37.84 153.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -104.9 -32.39 8.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -62.56 -49.49 75.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 14.2 p -111.33 -49.54 3.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.864 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 120.84 16.66 4.42 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.438 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 815' ' ' LYS . . . . . 0.422 ' O ' ' CG ' ' A' ' 809' ' ' GLU . 4.2 mmpt? -56.51 175.7 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.804 0.335 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 816' ' ' ALA . . . . . 0.569 ' HB1' ' HD3' ' A' ' 806' ' ' LYS . . . -136.63 139.57 42.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.137 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -146.66 141.19 26.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.863 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 30.7 pt -76.31 -30.98 20.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.109 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 11.6 m0 -108.6 137.03 47.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 820' ' ' LYS . . . . . 0.502 ' HD3' ' CE1' ' A' ' 808' ' ' TYR . 56.1 tptt -58.79 -50.83 72.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 821' ' ' SER . . . . . 0.943 ' HA ' HD12 ' A' ' 824' ' ' ILE . 16.4 p -44.17 -42.26 6.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 72.3 mt -58.99 -42.21 89.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 823' ' ' LEU . . . . . 0.531 HD22 ' HB3' ' A' ' 808' ' ' TYR . 21.9 tp -63.3 -34.44 77.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.96 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 824' ' ' ILE . . . . . 0.943 HD12 ' HA ' ' A' ' 821' ' ' SER . 21.0 mt -65.5 -64.75 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.163 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 825' ' ' VAL . . . . . . . . . . . . . 16.9 t -50.36 -18.87 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 826' ' ' HIS . . . . . 0.887 ' O ' HG22 ' A' ' 829' ' ' THR . 39.2 t60 -88.32 -59.71 2.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 827' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 826' ' ' HIS . 32.2 mt-10 -36.04 -44.69 0.39 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 828' ' ' ARG . . . . . 0.414 ' C ' ' N ' ' A' ' 830' ' ' HIS . 4.4 ptp180 -58.5 -43.03 88.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 829' ' ' THR . . . . . 0.887 HG22 ' O ' ' A' ' 826' ' ' HIS . 4.6 t -43.45 -22.82 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 830' ' ' HIS . . . . . 0.414 ' N ' ' C ' ' A' ' 828' ' ' ARG . 95.2 m-70 -83.36 39.91 0.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -130.94 89.24 2.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 832' ' ' GLY . . . . . . . . . . . . . . . 115.71 85.86 1.26 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 91.8 t -140.91 126.05 18.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.87 0.367 . . . . 0.0 111.135 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 11.8 t -54.46 145.02 19.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.829 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 835' ' ' GLY . . . . . . . . . . . . . . . -162.46 -89.07 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.452 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 836' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 2.78 3.22 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.68 2.253 . . . . 0.0 112.35 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 837' ' ' SER . . . . . . . . . . . . . 7.9 t -91.34 164.62 13.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 838' ' ' SER . . . . . . . . . . . . . 43.6 m -55.57 99.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 839' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.474 -179.97 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 21.6 t -98.07 -46.46 5.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.853 0.359 . . . . 0.0 110.829 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 798' ' ' SER . . . . . . . . . . . . . 89.7 p -133.79 121.49 21.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . 179.15 106.05 0.2 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.473 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 38.7 t -72.23 -61.41 1.8 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.858 0.361 . . . . 0.0 110.878 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 801' ' ' SER . . . . . . . . . . . . . 1.4 t -44.07 137.35 3.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 802' ' ' GLY . . . . . . . . . . . . . . . 68.75 -179.04 23.37 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 35.5 t -99.98 159.62 14.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.9 0.381 . . . . 0.0 110.872 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . -114.17 -43.36 0.79 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.532 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -91.12 115.95 28.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.944 0.402 . . . . 0.0 110.867 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 806' ' ' LYS . . . . . 0.759 ' HB2' ' HB1' ' A' ' 816' ' ' ALA . 0.7 OUTLIER -114.0 136.67 22.17 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.621 0.724 . . . . 0.0 110.889 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 807' ' ' PRO . . . . . 0.517 ' HG2' ' CD2' ' A' ' 808' ' ' TYR . 54.1 Cg_endo -69.73 -27.1 27.02 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.675 2.25 . . . . 0.0 112.357 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 808' ' ' TYR . . . . . 0.517 ' CD2' ' HG2' ' A' ' 807' ' ' PRO . 52.9 m-85 -107.0 120.72 42.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 809' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -128.83 118.78 23.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 810' ' ' CYS . . . . . . . . . . . . . 34.1 t -48.53 154.76 0.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -101.57 -29.88 11.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.921 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 812' ' ' GLU . . . . . 0.523 ' HG2' ' CG ' ' A' ' 830' ' ' HIS . 7.9 tp10 -67.63 -61.13 2.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 20.9 p -98.46 -46.55 5.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 117.61 14.86 6.63 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.505 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 815' ' ' LYS . . . . . 0.522 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 45.6 mmtt -53.76 175.02 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.769 0.318 . . . . 0.0 110.941 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 816' ' ' ALA . . . . . 0.759 ' HB1' ' HB2' ' A' ' 806' ' ' LYS . . . -138.83 139.44 38.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.125 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -145.72 141.65 28.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 37.8 pt -71.63 -30.77 39.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.078 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 20.2 m0 -113.14 145.94 40.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.927 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 820' ' ' LYS . . . . . 0.473 ' HB2' ' CE1' ' A' ' 808' ' ' TYR . 10.6 tppt? -64.24 -48.35 76.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.867 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 821' ' ' SER . . . . . 0.548 ' HA ' HD12 ' A' ' 824' ' ' ILE . 96.1 p -45.98 -44.08 14.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.805 -179.809 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 54.0 mt -58.13 -35.64 71.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 26.7 tp -72.1 -33.39 67.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.927 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 824' ' ' ILE . . . . . 0.548 HD12 ' HA ' ' A' ' 821' ' ' SER . 80.3 mt -64.9 -60.05 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.783 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 825' ' ' VAL . . . . . 0.479 ' O ' HG12 ' A' ' 825' ' ' VAL . 91.4 t -58.83 -11.0 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.088 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 826' ' ' HIS . . . . . 0.522 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 30.7 t60 -93.8 -55.63 3.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -41.01 -39.97 1.31 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 828' ' ' ARG . . . . . 0.434 ' CG ' ' N ' ' A' ' 829' ' ' THR . 41.7 ptt85 -46.83 -48.29 20.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 829' ' ' THR . . . . . 0.434 ' N ' ' CG ' ' A' ' 828' ' ' ARG . 73.7 p -38.52 -38.61 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.145 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 830' ' ' HIS . . . . . 0.523 ' CG ' ' HG2' ' A' ' 812' ' ' GLU . 76.4 m-70 -81.46 50.3 1.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -124.79 39.49 3.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 832' ' ' GLY . . . . . . . . . . . . . . . -137.41 -179.11 16.53 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.501 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 34.1 m -123.55 138.62 52.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.844 0.354 . . . . 0.0 111.131 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 83.3 p -115.89 153.76 30.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.832 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 835' ' ' GLY . . . . . . . . . . . . . . . -149.43 143.5 10.91 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.509 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 836' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -50.17 0.49 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.685 2.256 . . . . 0.0 112.317 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 837' ' ' SER . . . . . . . . . . . . . 4.8 m -48.24 141.72 6.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 838' ' ' SER . . . . . . . . . . . . . 3.3 m -67.73 -43.33 80.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 839' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.472 179.986 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 4.3 m -111.8 139.28 47.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.899 0.381 . . . . 0.0 110.883 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 798' ' ' SER . . . . . . . . . . . . . 97.3 p -140.55 162.89 34.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.866 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . 178.02 178.06 47.23 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.459 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 57.0 m -139.73 147.74 41.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.918 0.389 . . . . 0.0 110.842 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 801' ' ' SER . . . . . . . . . . . . . 29.7 t -111.04 127.43 55.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.866 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 802' ' ' GLY . . . . . . . . . . . . . . . 112.81 109.28 2.96 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.483 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 96.2 p -124.92 93.82 4.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.848 0.356 . . . . 0.0 110.798 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 161.93 152.8 6.84 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.522 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -109.53 135.77 49.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.934 0.397 . . . . 0.0 110.881 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 806' ' ' LYS . . . . . 0.456 ' HD2' ' N ' ' A' ' 806' ' ' LYS . 0.0 OUTLIER -93.67 137.07 23.39 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.552 0.691 . . . . 0.0 110.915 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 807' ' ' PRO . . . . . 0.49 ' HG2' ' CD2' ' A' ' 808' ' ' TYR . 54.1 Cg_endo -69.8 -21.61 33.08 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.662 2.241 . . . . 0.0 112.362 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 808' ' ' TYR . . . . . 0.49 ' CD2' ' HG2' ' A' ' 807' ' ' PRO . 32.4 m-85 -116.48 140.22 49.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 809' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -150.62 111.14 4.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.941 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 810' ' ' CYS . . . . . . . . . . . . . 32.6 t -41.51 156.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 17.8 t30 -103.83 -31.44 9.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -67.51 -57.13 7.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 23.1 p -100.24 -47.04 5.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 114.36 17.25 7.23 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.464 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 815' ' ' LYS . . . . . 0.48 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 2.3 mmpt? -55.09 176.7 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.737 0.303 . . . . 0.0 110.927 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 816' ' ' ALA . . . . . . . . . . . . . . . -141.48 134.66 29.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.13 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -139.67 144.93 37.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 28.1 pt -74.09 -25.91 20.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.126 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 18.1 m0 -115.93 152.48 33.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 820' ' ' LYS . . . . . 0.476 ' HB2' ' CZ ' ' A' ' 808' ' ' TYR . 32.1 tptt -67.49 -58.53 4.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 821' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 820' ' ' LYS . 26.2 m -37.61 -50.16 1.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 78.6 mt -49.58 -42.07 43.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 823' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 820' ' ' LYS . 12.6 tp -67.07 -37.76 84.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 824' ' ' ILE . . . . . . . . . . . . . 79.4 mt -64.02 -60.83 2.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.112 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 825' ' ' VAL . . . . . . . . . . . . . 14.1 t -60.36 -9.51 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 826' ' ' HIS . . . . . 0.48 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 11.4 t60 -93.2 -59.34 2.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -44.17 -39.54 4.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 828' ' ' ARG . . . . . 0.466 ' HG3' ' N ' ' A' ' 829' ' ' THR . 17.6 ptt180 -53.51 -37.73 63.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.863 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 829' ' ' THR . . . . . 0.466 ' N ' ' HG3' ' A' ' 828' ' ' ARG . 43.8 p -52.46 -19.3 2.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 830' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -77.51 -40.82 41.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.806 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -77.25 133.64 38.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.083 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 832' ' ' GLY . . . . . . . . . . . . . . . 118.8 -80.84 0.32 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.497 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 87.5 t -52.23 121.75 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.841 0.353 . . . . 0.0 111.095 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 9.3 m -51.29 144.36 9.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 835' ' ' GLY . . . . . . . . . . . . . . . -116.51 166.12 12.35 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.469 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 836' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -35.94 11.72 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.654 2.236 . . . . 0.0 112.368 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 837' ' ' SER . . . . . . . . . . . . . 28.6 t -102.81 -57.23 2.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 838' ' ' SER . . . . . . . . . . . . . 54.7 p -142.24 117.48 10.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.858 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 839' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.446 179.991 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 13.2 t -165.51 140.6 4.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.845 0.355 . . . . 0.0 110.896 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 798' ' ' SER . . . . . . . . . . . . . 3.6 m -153.09 160.88 42.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . 145.17 -110.76 0.56 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.456 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 51.8 m 46.14 42.02 9.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 110.83 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 801' ' ' SER . . . . . . . . . . . . . 2.5 m -114.5 110.32 19.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 802' ' ' GLY . . . . . . . . . . . . . . . -154.23 64.14 0.34 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.445 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 1.8 m -124.62 41.85 3.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.91 0.386 . . . . 0.0 110.819 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 140.2 128.12 2.44 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.472 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -149.55 140.54 22.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.931 0.396 . . . . 0.0 110.893 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 806' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.57 136.33 82.29 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.557 0.694 . . . . 0.0 110.912 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 807' ' ' PRO . . . . . 0.584 ' HG2' ' CD2' ' A' ' 808' ' ' TYR . 53.9 Cg_endo -69.75 -36.57 10.6 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.679 2.252 . . . . 0.0 112.374 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 808' ' ' TYR . . . . . 0.686 ' HB3' HD22 ' A' ' 823' ' ' LEU . 5.2 m-85 -106.76 142.54 36.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 809' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 810' ' ' CYS . 10.3 tt0 -146.58 107.5 4.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 810' ' ' CYS . . . . . 0.422 ' C ' ' O ' ' A' ' 809' ' ' GLU . 23.0 t -36.03 152.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.917 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -105.62 -28.43 10.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 812' ' ' GLU . . . . . 0.431 ' HG3' ' CB ' ' A' ' 830' ' ' HIS . 52.3 mm-40 -66.8 -47.34 72.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.845 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 21.7 p -113.22 -45.42 3.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 118.06 13.6 7.02 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.491 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 815' ' ' LYS . . . . . 0.559 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 16.4 mmtm -54.32 173.42 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.766 0.317 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 816' ' ' ALA . . . . . . . . . . . . . . . -138.08 133.17 33.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.136 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -135.67 149.31 49.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.85 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 24.7 pt -82.15 -26.18 9.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.143 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 819' ' ' TRP . . . . . 0.452 ' HB2' ' CD1' ' A' ' 822' ' ' LEU . 11.8 m0 -115.67 149.38 38.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 820' ' ' LYS . . . . . 0.516 ' HE3' ' CE1' ' A' ' 808' ' ' TYR . 3.0 tppp? -66.94 -53.35 32.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 821' ' ' SER . . . . . 0.781 ' HA ' HD12 ' A' ' 824' ' ' ILE . 91.6 p -46.07 -36.83 6.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 822' ' ' LEU . . . . . 0.452 ' CD1' ' HB2' ' A' ' 819' ' ' TRP . 76.4 mt -65.34 -35.87 82.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.907 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 823' ' ' LEU . . . . . 0.686 HD22 ' HB3' ' A' ' 808' ' ' TYR . 23.0 tp -72.62 -28.64 62.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 824' ' ' ILE . . . . . 0.781 HD12 ' HA ' ' A' ' 821' ' ' SER . 40.0 mt -70.66 -57.52 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 825' ' ' VAL . . . . . 0.43 ' O ' HG12 ' A' ' 825' ' ' VAL . 57.9 t -58.75 -13.09 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 826' ' ' HIS . . . . . 0.827 ' O ' HG22 ' A' ' 829' ' ' THR . 35.4 t60 -96.56 -54.96 3.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -47.57 -33.68 6.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 828' ' ' ARG . . . . . 0.47 ' HG3' ' N ' ' A' ' 829' ' ' THR . 7.6 ptm180 -61.84 -33.55 74.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.909 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 829' ' ' THR . . . . . 0.827 HG22 ' O ' ' A' ' 826' ' ' HIS . 4.8 t -55.04 -16.75 3.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.168 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 830' ' ' HIS . . . . . 0.431 ' CB ' ' HG3' ' A' ' 812' ' ' GLU . 96.8 m-70 -92.55 43.32 1.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -124.76 43.16 3.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.068 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 832' ' ' GLY . . . . . . . . . . . . . . . 57.35 53.08 47.62 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.487 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 34.9 m -82.95 40.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.851 0.357 . . . . 0.0 111.167 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 10.9 t -147.25 137.41 23.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 835' ' ' GLY . . . . . . . . . . . . . . . -162.2 145.13 10.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.467 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 836' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 104.99 1.41 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.729 2.286 . . . . 0.0 112.308 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 837' ' ' SER . . . . . . . . . . . . . 91.1 p -105.29 122.17 45.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 838' ' ' SER . . . . . . . . . . . . . 14.8 t -105.67 106.6 17.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 839' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.494 179.987 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 18.0 m -124.9 90.94 3.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.845 0.355 . . . . 0.0 110.874 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 798' ' ' SER . . . . . . . . . . . . . 99.1 p -102.0 121.58 42.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . -110.38 -65.51 0.54 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.504 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 34.4 p -165.56 133.94 3.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.896 0.379 . . . . 0.0 110.833 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 801' ' ' SER . . . . . . . . . . . . . 78.8 p -151.76 142.46 22.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 802' ' ' GLY . . . . . . . . . . . . . . . 72.84 167.6 11.21 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.484 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 22.9 t -123.08 -50.52 1.92 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.882 0.372 . . . . 0.0 110.83 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . -89.94 -171.69 44.71 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.514 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -145.86 148.84 33.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.872 0.368 . . . . 0.0 110.915 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 806' ' ' LYS . . . . . 0.642 ' HG3' ' HB1' ' A' ' 816' ' ' ALA . 43.2 mmtm -59.46 132.19 88.23 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.585 0.707 . . . . 0.0 110.881 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 807' ' ' PRO . . . . . 0.535 ' HG2' ' CD2' ' A' ' 808' ' ' TYR . 53.5 Cg_endo -69.74 -30.6 22.13 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.695 2.264 . . . . 0.0 112.321 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 808' ' ' TYR . . . . . 0.604 ' HB3' HD22 ' A' ' 823' ' ' LEU . 16.3 m-85 -115.27 142.06 47.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 809' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 810' ' ' CYS . 10.5 tt0 -152.13 107.82 3.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 810' ' ' CYS . . . . . 0.433 ' C ' ' O ' ' A' ' 809' ' ' GLU . 14.6 t -35.45 152.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -103.56 -35.96 8.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -58.7 -55.49 34.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 19.7 p -105.63 -49.17 3.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 122.86 14.0 4.36 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.476 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 815' ' ' LYS . . . . . 0.574 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 18.1 mmmt -51.92 165.86 0.18 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.82 0.343 . . . . 0.0 110.865 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 816' ' ' ALA . . . . . 0.642 ' HB1' ' HG3' ' A' ' 806' ' ' LYS . . . -128.92 140.69 51.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 817' ' ' PHE . . . . . 0.49 ' CZ ' ' HB3' ' A' ' 815' ' ' LYS . 6.2 m-85 -147.03 140.85 25.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 818' ' ' ILE . . . . . 0.422 HG23 ' HE3' ' A' ' 806' ' ' LYS . 9.2 pt -78.3 -23.44 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.132 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 7.3 m0 -114.87 144.26 43.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 820' ' ' LYS . . . . . 0.523 ' HB2' ' CZ ' ' A' ' 808' ' ' TYR . 16.9 tptm -62.52 -56.07 21.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 821' ' ' SER . . . . . 0.58 ' HA ' HD12 ' A' ' 824' ' ' ILE . 76.3 p -40.73 -51.11 3.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 71.4 mt -49.62 -40.92 40.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.936 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 823' ' ' LEU . . . . . 0.604 HD22 ' HB3' ' A' ' 808' ' ' TYR . 17.8 tp -68.08 -32.26 72.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 824' ' ' ILE . . . . . 0.58 HD12 ' HA ' ' A' ' 821' ' ' SER . 70.1 mt -69.88 -47.43 69.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 825' ' ' VAL . . . . . . . . . . . . . 23.9 t -65.59 -18.13 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.107 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 826' ' ' HIS . . . . . 0.683 ' O ' HG22 ' A' ' 829' ' ' THR . 39.1 t60 -92.45 -47.65 7.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -44.88 -30.71 1.04 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -77.06 -38.92 51.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 829' ' ' THR . . . . . 0.683 HG22 ' O ' ' A' ' 826' ' ' HIS . 1.4 t -41.22 -32.64 0.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 830' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 -70.16 -49.68 48.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.892 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -38.59 105.14 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.074 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 832' ' ' GLY . . . . . . . . . . . . . . . 115.42 -76.48 0.26 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 33.2 m -84.1 39.83 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.833 0.349 . . . . 0.0 111.107 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 3.8 m -72.3 106.15 4.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 835' ' ' GLY . . . . . . . . . . . . . . . 72.2 145.01 0.51 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.465 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 836' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 158.41 57.09 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.641 2.227 . . . . 0.0 112.383 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 837' ' ' SER . . . . . . . . . . . . . 32.7 t -65.52 154.76 37.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 838' ' ' SER . . . . . . . . . . . . . 21.6 m -160.63 166.91 28.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.846 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 839' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.491 179.984 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 3.7 t -166.91 129.58 1.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.899 0.381 . . . . 0.0 110.875 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 798' ' ' SER . . . . . . . . . . . . . 2.6 t -136.69 133.65 36.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . -147.13 138.33 7.2 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.491 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 3.0 m -60.54 147.57 40.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.875 0.369 . . . . 0.0 110.914 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 801' ' ' SER . . . . . . . . . . . . . 43.0 m -83.16 113.23 20.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 802' ' ' GLY . . . . . . . . . . . . . . . -154.31 166.55 32.18 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.477 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 14.6 t -121.03 156.89 31.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.894 0.378 . . . . 0.0 110.86 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . -46.52 155.06 0.73 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.52 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 28.8 mp0 -54.03 153.39 4.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.873 0.368 . . . . 0.0 110.881 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 806' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -63.45 142.95 97.92 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.581 0.705 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 807' ' ' PRO . . . . . 0.566 ' HG2' ' CD2' ' A' ' 808' ' ' TYR . 53.6 Cg_endo -69.72 -26.45 27.74 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.688 2.259 . . . . 0.0 112.319 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 808' ' ' TYR . . . . . 0.566 ' CD2' ' HG2' ' A' ' 807' ' ' PRO . 23.3 m-85 -118.31 145.33 45.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.87 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 809' ' ' GLU . . . . . 0.429 ' CG ' ' O ' ' A' ' 815' ' ' LYS . 20.9 tt0 -150.86 112.91 4.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.925 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 810' ' ' CYS . . . . . 0.608 ' HA ' HD11 ' A' ' 823' ' ' LEU . 12.9 t -39.53 153.52 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -104.12 -35.14 8.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -60.49 -52.13 66.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 9.8 p -107.07 -49.63 3.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.84 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 122.45 11.53 5.54 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.468 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 815' ' ' LYS . . . . . 0.429 ' O ' ' CG ' ' A' ' 809' ' ' GLU . 0.0 OUTLIER -55.08 172.0 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.79 0.328 . . . . 0.0 110.873 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 816' ' ' ALA . . . . . . . . . . . . . . . -133.2 133.77 43.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.115 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -134.38 132.51 39.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 11.0 pt -67.06 -25.36 33.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.087 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 7.8 m0 -114.85 144.38 43.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 820' ' ' LYS . . . . . 0.453 ' HB2' ' CZ ' ' A' ' 808' ' ' TYR . 20.4 tptm -60.76 -60.62 3.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.884 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 821' ' ' SER . . . . . 0.619 ' HA ' HD12 ' A' ' 824' ' ' ILE . 50.4 m -37.61 -52.65 1.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 76.9 mt -46.67 -41.28 14.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 823' ' ' LEU . . . . . 0.608 HD11 ' HA ' ' A' ' 810' ' ' CYS . 11.6 tp -68.89 -36.44 78.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 824' ' ' ILE . . . . . 0.619 HD12 ' HA ' ' A' ' 821' ' ' SER . 67.3 mt -64.1 -59.63 3.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.165 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 825' ' ' VAL . . . . . 0.5 ' O ' HG12 ' A' ' 825' ' ' VAL . 83.1 t -60.35 -9.65 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.117 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 826' ' ' HIS . . . . . 0.834 ' O ' HG22 ' A' ' 829' ' ' THR . 38.4 t60 -94.88 -64.04 1.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 827' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 826' ' ' HIS . 59.7 mt-10 -36.37 -39.06 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 828' ' ' ARG . . . . . 0.477 ' NE ' ' HA ' ' A' ' 825' ' ' VAL . 9.5 ptp180 -57.59 -46.09 84.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 829' ' ' THR . . . . . 0.834 HG22 ' O ' ' A' ' 826' ' ' HIS . 6.9 t -41.84 -23.9 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.15 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 830' ' ' HIS . . . . . 0.436 ' N ' ' O ' ' A' ' 828' ' ' ARG . 96.4 m-70 -83.42 39.74 0.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -131.25 81.78 2.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 832' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 833' ' ' VAL . . . 166.57 -45.72 0.26 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.435 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 833' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 832' ' ' GLY . 96.1 t -37.11 115.04 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.804 0.335 . . . . 0.0 111.153 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 9.7 t -41.33 139.29 1.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 835' ' ' GLY . . . . . . . . . . . . . . . -96.84 145.63 17.94 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.501 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 836' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 837' ' ' SER . 54.3 Cg_endo -69.72 155.76 65.2 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.715 2.276 . . . . 0.0 112.382 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 837' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 836' ' ' PRO . 94.0 p 34.32 46.51 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.837 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 838' ' ' SER . . . . . . . . . . . . . 35.6 p -72.92 118.23 15.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.876 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 839' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.501 -179.988 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 808' ' ' TYR . . . . . 0.536 ' CE1' ' HD3' ' A' ' 820' ' ' LYS . 55.9 m-85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.872 0.367 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 809' ' ' GLU . . . . . 0.412 ' CG ' ' O ' ' A' ' 815' ' ' LYS . 21.7 tt0 -154.33 110.02 3.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 810' ' ' CYS . . . . . 0.696 ' HA ' HD11 ' A' ' 823' ' ' LEU . 13.6 t -37.95 152.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -101.1 -33.71 10.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -60.62 -60.72 3.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 20.8 p -99.53 -49.37 4.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 121.51 14.73 4.75 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.452 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . 0.427 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 39.5 mmtt -56.31 174.41 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.802 0.334 . . . . 0.0 110.844 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 816' ' ' ALA . . . . . . . . . . . . . . . -130.96 146.43 52.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.066 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -151.46 124.81 8.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 21.8 pt -59.96 -28.27 40.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.097 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 9.0 m0 -110.5 156.2 21.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.939 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 820' ' ' LYS . . . . . 0.536 ' HD3' ' CE1' ' A' ' 808' ' ' TYR . 17.5 tptp -71.46 -58.55 3.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.918 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 821' ' ' SER . . . . . . . . . . . . . 19.7 m -41.48 -52.37 3.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.811 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 70.8 mt -46.23 -39.02 9.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 823' ' ' LEU . . . . . 0.696 HD11 ' HA ' ' A' ' 810' ' ' CYS . 14.4 tp -72.71 -37.65 67.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 824' ' ' ILE . . . . . . . . . . . . . 90.6 mt -63.4 -57.84 10.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.125 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 825' ' ' VAL . . . . . 0.496 ' O ' HG12 ' A' ' 825' ' ' VAL . 93.9 t -60.06 -9.88 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.159 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 826' ' ' HIS . . . . . 0.427 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 17.3 t60 -95.16 -56.18 2.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -39.18 -36.12 0.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . 0.433 ' NH1' ' HB2' ' A' ' 828' ' ' ARG . 2.8 ptm85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 808' ' ' TYR . . . . . 0.566 ' CE1' ' HB2' ' A' ' 820' ' ' LYS . 20.9 m-85 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.918 0.389 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 809' ' ' GLU . . . . . 0.432 ' CG ' ' O ' ' A' ' 815' ' ' LYS . 11.9 tt0 -143.59 110.1 5.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 810' ' ' CYS . . . . . 0.507 ' HA ' HD11 ' A' ' 823' ' ' LEU . 11.6 t -36.59 151.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.931 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -101.45 -31.35 10.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 812' ' ' GLU . . . . . 0.411 ' C ' ' OE1' ' A' ' 812' ' ' GLU . 1.7 tm-20 -63.89 -58.8 5.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 17.5 p -99.88 -48.8 4.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 119.52 14.97 5.58 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.443 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . 0.432 ' O ' ' CG ' ' A' ' 809' ' ' GLU . 19.3 mmtm -57.27 169.27 0.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.807 0.337 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 816' ' ' ALA . . . . . . . . . . . . . . . -131.42 139.66 49.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.101 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -145.95 127.91 15.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 34.4 pt -58.64 -26.82 32.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.166 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 16.7 m0 -114.72 146.73 40.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.957 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 820' ' ' LYS . . . . . 0.566 ' HB2' ' CE1' ' A' ' 808' ' ' TYR . 18.2 tptm -67.34 -52.48 39.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.898 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 821' ' ' SER . . . . . 0.837 ' HA ' HD12 ' A' ' 824' ' ' ILE . 95.9 p -41.09 -49.87 3.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.827 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 68.0 mt -50.56 -41.92 54.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 823' ' ' LEU . . . . . 0.507 HD11 ' HA ' ' A' ' 810' ' ' CYS . 24.0 tp -65.84 -35.57 81.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.948 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 824' ' ' ILE . . . . . 0.837 HD12 ' HA ' ' A' ' 821' ' ' SER . 40.6 mt -64.63 -57.29 11.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 825' ' ' VAL . . . . . 0.438 ' O ' HG12 ' A' ' 825' ' ' VAL . 23.1 t -63.29 -9.65 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.109 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 826' ' ' HIS . . . . . 0.401 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 14.3 t60 -93.82 -57.38 2.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -43.91 -45.15 7.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.896 -179.909 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 808' ' ' TYR . . . . . 0.404 ' CZ ' ' HB2' ' A' ' 820' ' ' LYS . 42.7 m-85 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.835 0.35 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 809' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -138.08 114.96 10.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 810' ' ' CYS . . . . . . . . . . . . . 29.5 t -44.84 153.3 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -99.99 -29.45 12.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.28 -62.37 1.43 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 22.4 p -97.09 -48.32 5.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 118.85 15.83 5.61 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.441 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . 0.562 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 14.0 mmmt -53.09 173.83 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.769 0.318 . . . . 0.0 110.886 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 816' ' ' ALA . . . . . . . . . . . . . . . -135.42 139.67 44.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.102 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -144.54 149.92 36.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 19.7 pt -83.42 -25.12 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 15.3 m0 -118.55 144.81 45.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.932 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 820' ' ' LYS . . . . . 0.404 ' HB2' ' CZ ' ' A' ' 808' ' ' TYR . 19.4 tptp -60.66 -50.22 74.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 821' ' ' SER . . . . . 0.573 ' HA ' HD12 ' A' ' 824' ' ' ILE . 57.6 p -45.22 -50.33 11.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 75.3 mt -50.71 -41.03 55.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 15.4 tp -66.28 -40.66 90.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 824' ' ' ILE . . . . . 0.573 HD12 ' HA ' ' A' ' 821' ' ' SER . 59.6 mt -60.21 -60.11 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 825' ' ' VAL . . . . . . . . . . . . . 4.9 t -55.82 -13.39 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.112 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 826' ' ' HIS . . . . . 0.562 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 30.8 t60 -91.59 -59.13 2.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 827' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 826' ' ' HIS . 41.4 mt-10 -36.29 -43.17 0.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.919 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 808' ' ' TYR . . . . . 0.407 ' CE1' ' HE3' ' A' ' 820' ' ' LYS . 19.6 m-85 . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.825 0.345 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 809' ' ' GLU . . . . . 0.457 ' CG ' ' O ' ' A' ' 815' ' ' LYS . 12.2 tt0 -144.32 114.16 7.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.873 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 810' ' ' CYS . . . . . . . . . . . . . 49.4 t -39.02 152.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -103.81 -24.57 13.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -71.4 -54.45 10.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 20.6 p -104.84 -49.1 3.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.861 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 122.6 13.54 4.64 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.477 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . 0.558 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 2.3 mmmp? -54.65 168.39 0.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.841 0.353 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 816' ' ' ALA . . . . . . . . . . . . . . . -129.1 140.58 51.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -147.38 134.83 20.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 10.7 pt -72.7 -19.98 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 819' ' ' TRP . . . . . 0.435 ' HB2' ' CD1' ' A' ' 822' ' ' LEU . 7.3 m0 -117.7 149.44 40.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 820' ' ' LYS . . . . . 0.407 ' HE3' ' CE1' ' A' ' 808' ' ' TYR . 2.7 tppp? -68.39 -54.53 16.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 821' ' ' SER . . . . . 0.753 ' HA ' HD12 ' A' ' 824' ' ' ILE . 51.2 m -44.33 -46.01 9.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 822' ' ' LEU . . . . . 0.435 ' CD1' ' HB2' ' A' ' 819' ' ' TRP . 78.4 mt -54.13 -37.47 64.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 15.7 tp -70.24 -33.64 71.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 824' ' ' ILE . . . . . 0.753 HD12 ' HA ' ' A' ' 821' ' ' SER . 44.1 mt -66.7 -61.44 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 825' ' ' VAL . . . . . . . . . . . . . 44.8 t -54.47 -14.49 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.112 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 826' ' ' HIS . . . . . 0.558 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 37.2 t60 -92.97 -55.32 3.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -48.6 -22.79 0.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.832 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 5.0 ptt-85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -179.919 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 808' ' ' TYR . . . . . 0.713 ' HB3' HD22 ' A' ' 823' ' ' LEU . 4.0 m-85 . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.894 0.378 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 809' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 810' ' ' CYS . 8.0 tt0 -166.09 107.78 0.73 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.885 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 810' ' ' CYS . . . . . 0.515 ' HA ' HD11 ' A' ' 823' ' ' LEU . 17.5 t -35.42 152.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.849 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -103.97 -36.04 7.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.97 -53.14 61.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 19.7 p -108.04 -49.53 3.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 122.85 14.14 4.32 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.487 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . 0.575 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 31.9 mmtm -55.33 163.89 1.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.785 0.326 . . . . 0.0 110.875 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 816' ' ' ALA . . . . . . . . . . . . . . . -126.74 142.54 51.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -147.49 128.26 14.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 818' ' ' ILE . . . . . 0.408 HG13 ' N ' ' A' ' 819' ' ' TRP . 19.0 pt -61.78 -29.12 45.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.085 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 819' ' ' TRP . . . . . 0.408 ' N ' HG13 ' A' ' 818' ' ' ILE . 10.4 m0 -110.17 155.39 22.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 820' ' ' LYS . . . . . 0.513 ' HB2' ' CZ ' ' A' ' 808' ' ' TYR . 19.3 tptm -71.25 -59.56 2.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 821' ' ' SER . . . . . 0.631 ' HA ' HD12 ' A' ' 824' ' ' ILE . 23.5 m -37.78 -54.51 1.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.819 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 53.4 mt -46.5 -39.98 11.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 823' ' ' LEU . . . . . 0.713 HD22 ' HB3' ' A' ' 808' ' ' TYR . 57.7 tp -68.18 -35.04 77.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.946 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 824' ' ' ILE . . . . . 0.631 HD12 ' HA ' ' A' ' 821' ' ' SER . 56.3 mt -67.33 -57.21 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 825' ' ' VAL . . . . . 0.414 ' O ' HG12 ' A' ' 825' ' ' VAL . 61.7 t -55.61 -14.09 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.169 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 826' ' ' HIS . . . . . 0.575 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 25.7 t60 -96.28 -54.18 3.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.823 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -41.07 -29.93 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.939 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 808' ' ' TYR . . . . . 0.593 ' HB3' HD22 ' A' ' 823' ' ' LEU . 13.4 m-85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.777 0.323 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 809' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -151.23 110.74 3.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 810' ' ' CYS . . . . . 0.514 ' HA ' HD11 ' A' ' 823' ' ' LEU . 15.0 t -39.02 159.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -109.9 -32.46 7.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -63.59 -46.3 86.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 12.1 p -114.36 -48.82 2.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 121.25 12.9 5.54 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.47 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . 0.522 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 31.0 mmtt -52.65 167.9 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.783 0.325 . . . . 0.0 110.91 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 816' ' ' ALA . . . . . . . . . . . . . . . -133.19 130.61 39.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.098 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 817' ' ' PHE . . . . . 0.402 ' CD1' ' N ' ' A' ' 817' ' ' PHE . 2.8 m-85 -134.36 134.03 41.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 23.9 pt -65.68 -23.75 33.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.137 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 13.4 m0 -115.98 156.47 26.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 820' ' ' LYS . . . . . 0.536 ' HD3' ' CE1' ' A' ' 808' ' ' TYR . 17.8 tptm -72.33 -56.73 5.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 821' ' ' SER . . . . . 0.698 ' HA ' HD12 ' A' ' 824' ' ' ILE . 1.9 m -40.24 -54.38 2.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 70.0 mt -45.93 -41.99 12.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.944 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 823' ' ' LEU . . . . . 0.593 HD22 ' HB3' ' A' ' 808' ' ' TYR . 44.4 tp -67.33 -35.18 78.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.972 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 824' ' ' ILE . . . . . 0.698 HD12 ' HA ' ' A' ' 821' ' ' SER . 39.5 mt -68.8 -53.75 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 825' ' ' VAL . . . . . 0.509 ' O ' HG12 ' A' ' 825' ' ' VAL . 91.3 t -64.49 -8.51 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 826' ' ' HIS . . . . . 0.522 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 13.4 t60 -95.68 -56.38 2.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -40.92 -40.48 1.39 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 31.9 ptt180 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.945 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 808' ' ' TYR . . . . . 0.551 ' CE2' ' HD3' ' A' ' 820' ' ' LYS . 43.2 m-85 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.825 0.345 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 809' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -136.69 114.43 11.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 810' ' ' CYS . . . . . 0.578 ' HA ' HD11 ' A' ' 823' ' ' LEU . 8.3 t -41.9 153.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 -101.53 -33.67 9.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -63.04 -62.29 1.81 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 20.2 p -97.74 -48.51 5.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 121.26 14.41 4.98 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.457 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.55 175.81 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.803 0.335 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 816' ' ' ALA . . . . . . . . . . . . . . . -136.64 141.41 43.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.099 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -145.45 140.62 27.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 13.2 pt -74.12 -24.78 19.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.157 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 819' ' ' TRP . . . . . 0.436 ' HB2' ' CD1' ' A' ' 822' ' ' LEU . 9.1 m0 -113.92 146.46 40.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 820' ' ' LYS . . . . . 0.551 ' HD3' ' CE2' ' A' ' 808' ' ' TYR . 38.1 tptt -64.73 -58.82 5.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 821' ' ' SER . . . . . 0.718 ' HA ' HD12 ' A' ' 824' ' ' ILE . 19.9 m -41.24 -49.2 3.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 822' ' ' LEU . . . . . 0.436 ' CD1' ' HB2' ' A' ' 819' ' ' TRP . 93.6 mt -50.26 -40.75 48.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.935 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 823' ' ' LEU . . . . . 0.578 HD11 ' HA ' ' A' ' 810' ' ' CYS . 16.0 tp -67.25 -35.87 80.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.939 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 824' ' ' ILE . . . . . 0.718 HD12 ' HA ' ' A' ' 821' ' ' SER . 61.1 mt -63.54 -63.24 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 825' ' ' VAL . . . . . 0.473 ' HA ' ' NE ' ' A' ' 828' ' ' ARG . 97.6 t -52.39 -16.11 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.142 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 826' ' ' HIS . . . . . 0.407 ' O ' ' C ' ' A' ' 827' ' ' GLU . 35.3 t60 -90.02 -60.23 1.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 827' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 826' ' ' HIS . 26.4 mt-10 -37.98 -46.17 0.96 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . 0.473 ' NE ' ' HA ' ' A' ' 825' ' ' VAL . 10.2 ptp180 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 808' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.886 0.374 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 809' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -132.6 113.29 12.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 810' ' ' CYS . . . . . . . . . . . . . 49.3 t -41.36 156.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -106.31 -33.6 7.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -59.54 -51.99 67.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 16.7 p -113.0 -48.22 2.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 126.38 9.05 4.68 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.507 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . 0.563 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 19.2 mmtm -50.21 171.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.787 0.327 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 816' ' ' ALA . . . . . 0.459 ' C ' ' CG ' ' A' ' 817' ' ' PHE . . . -132.1 152.76 51.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.079 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 817' ' ' PHE . . . . . 0.459 ' CG ' ' C ' ' A' ' 816' ' ' ALA . 3.7 m-85 -158.96 130.73 6.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 15.6 pt -71.27 -19.29 20.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.079 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 819' ' ' TRP . . . . . 0.48 ' HB2' ' CD1' ' A' ' 822' ' ' LEU . 8.6 m0 -117.65 133.57 55.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -55.06 -56.32 21.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 821' ' ' SER . . . . . 0.932 ' HA ' HD12 ' A' ' 824' ' ' ILE . 55.8 p -40.37 -47.62 2.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 822' ' ' LEU . . . . . 0.48 ' CD1' ' HB2' ' A' ' 819' ' ' TRP . 65.6 mt -54.21 -43.33 70.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 15.7 tp -61.97 -35.15 77.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 824' ' ' ILE . . . . . 0.932 HD12 ' HA ' ' A' ' 821' ' ' SER . 20.0 mt -66.23 -63.64 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.098 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 825' ' ' VAL . . . . . 0.448 ' C ' ' HG2' ' A' ' 828' ' ' ARG . 11.1 t -49.0 -20.14 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 826' ' ' HIS . . . . . 0.563 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 47.1 t60 -89.29 -61.68 1.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -45.12 -21.57 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . 0.448 ' HG2' ' C ' ' A' ' 825' ' ' VAL . 2.4 ptp180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 808' ' ' TYR . . . . . 0.509 ' CE1' ' HD3' ' A' ' 820' ' ' LYS . 21.1 m-85 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.815 0.341 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 809' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -148.9 114.51 5.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 810' ' ' CYS . . . . . 0.554 ' HA ' HD11 ' A' ' 823' ' ' LEU . 15.9 t -45.14 156.37 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.932 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -104.77 -34.4 8.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.68 -51.16 70.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 13.1 p -110.72 -49.47 3.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 121.74 16.31 4.15 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.458 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . 0.499 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 5.8 mmpt? -55.63 173.85 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 110.906 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 816' ' ' ALA . . . . . . . . . . . . . . . -133.1 143.52 49.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.102 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -146.6 137.51 24.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 10.3 pt -71.91 -21.35 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.107 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 9.2 m0 -118.25 160.34 21.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.953 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 820' ' ' LYS . . . . . 0.509 ' HD3' ' CE1' ' A' ' 808' ' ' TYR . 19.3 tptm -73.77 -56.15 5.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 821' ' ' SER . . . . . . . . . . . . . 30.4 p -41.92 -51.52 4.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 60.5 mt -47.26 -35.86 8.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.95 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 823' ' ' LEU . . . . . 0.554 HD11 ' HA ' ' A' ' 810' ' ' CYS . 13.1 tp -76.12 -34.51 59.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 824' ' ' ILE . . . . . . . . . . . . . 83.1 mt -68.12 -51.56 47.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 825' ' ' VAL . . . . . . . . . . . . . 4.6 t -66.96 -11.27 13.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.141 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 826' ' ' HIS . . . . . 0.499 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 30.2 t60 -94.9 -57.86 2.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -42.41 -26.77 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.917 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 808' ' ' TYR . . . . . 0.567 ' HB3' HD22 ' A' ' 823' ' ' LEU . 32.5 m-85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.823 0.344 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 809' ' ' GLU . . . . . 0.477 ' CG ' ' O ' ' A' ' 815' ' ' LYS . 12.0 tt0 -138.57 108.85 6.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 810' ' ' CYS . . . . . . . . . . . . . 13.4 t -39.04 151.95 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.927 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -100.21 -32.29 10.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -61.85 -59.35 5.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 10.4 p -100.47 -50.86 3.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 121.5 18.5 3.67 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . 0.547 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 18.2 mmtp -57.44 174.9 0.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.827 0.346 . . . . 0.0 110.91 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 816' ' ' ALA . . . . . . . . . . . . . . . -140.04 138.1 35.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.115 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -148.51 142.2 25.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 818' ' ' ILE . . . . . 0.471 HG13 ' N ' ' A' ' 819' ' ' TRP . 27.9 pt -73.75 -35.41 43.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.09 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 819' ' ' TRP . . . . . 0.471 ' N ' HG13 ' A' ' 818' ' ' ILE . 9.7 m0 -102.49 135.74 43.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 820' ' ' LYS . . . . . 0.423 ' HB2' ' CZ ' ' A' ' 808' ' ' TYR . 15.8 tptm -56.57 -55.98 27.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.874 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 821' ' ' SER . . . . . 0.604 ' HA ' HD12 ' A' ' 824' ' ' ILE . 44.9 p -38.5 -53.43 1.56 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.86 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 56.2 mt -47.2 -43.82 21.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.938 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 823' ' ' LEU . . . . . 0.567 HD22 ' HB3' ' A' ' 808' ' ' TYR . 17.0 tp -65.07 -37.16 86.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 824' ' ' ILE . . . . . 0.604 HD12 ' HA ' ' A' ' 821' ' ' SER . 66.9 mt -64.27 -59.05 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.125 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 825' ' ' VAL . . . . . 0.477 ' O ' HG12 ' A' ' 825' ' ' VAL . 92.4 t -58.38 -11.53 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.124 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 826' ' ' HIS . . . . . 0.547 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 10.4 t60 -92.42 -60.28 1.87 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.825 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -41.15 -44.21 2.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.882 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 -179.938 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 808' ' ' TYR . . . . . 0.57 ' CE1' ' HB2' ' A' ' 820' ' ' LYS . 44.0 m-85 . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.902 0.382 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 809' ' ' GLU . . . . . 0.439 ' CG ' ' O ' ' A' ' 815' ' ' LYS . 18.1 tt0 -137.83 119.28 14.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.857 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 810' ' ' CYS . . . . . 0.552 ' HA ' HD11 ' A' ' 823' ' ' LEU . 38.2 t -51.02 156.81 0.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -101.47 -33.8 9.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -62.75 -60.83 2.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 12.4 p -98.87 -50.43 4.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 122.06 13.0 5.1 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.503 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . 0.579 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 31.5 mmtt -50.24 176.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.331 . . . . 0.0 110.897 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 816' ' ' ALA . . . . . . . . . . . . . . . -144.51 129.01 18.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.135 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -136.54 149.89 48.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 20.4 pt -78.73 -27.99 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 12.5 m0 -111.44 131.88 54.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 820' ' ' LYS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 808' ' ' TYR . 23.0 tptm -53.11 -47.43 68.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.901 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 821' ' ' SER . . . . . 0.49 ' HA ' HD12 ' A' ' 824' ' ' ILE . 90.6 p -46.36 -53.04 11.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.893 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 69.6 mt -48.51 -39.57 23.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.961 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 823' ' ' LEU . . . . . 0.552 HD11 ' HA ' ' A' ' 810' ' ' CYS . 13.5 tp -70.11 -33.41 71.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 824' ' ' ILE . . . . . 0.49 HD12 ' HA ' ' A' ' 821' ' ' SER . 77.8 mt -67.81 -57.39 9.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 825' ' ' VAL . . . . . 0.487 ' O ' HG12 ' A' ' 825' ' ' VAL . 59.7 t -61.46 -10.07 3.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 826' ' ' HIS . . . . . 0.579 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 6.4 t60 -96.3 -56.14 2.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.811 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -39.95 -35.64 0.38 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.916 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 808' ' ' TYR . . . . . 0.618 ' HB3' HD22 ' A' ' 823' ' ' LEU . 14.2 m-85 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.871 0.367 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 809' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 810' ' ' CYS . 15.0 tt0 -145.73 107.99 4.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.873 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 810' ' ' CYS . . . . . 0.626 ' HA ' HD11 ' A' ' 823' ' ' LEU . 17.6 t -35.79 153.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -104.42 -33.04 8.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -60.45 -50.82 72.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.961 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 19.5 p -111.32 -49.05 3.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 122.91 13.3 4.57 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.498 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . 0.543 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 22.1 mmmt -53.78 174.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.796 0.331 . . . . 0.0 110.887 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 816' ' ' ALA . . . . . . . . . . . . . . . -136.38 140.05 42.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.115 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -147.92 123.43 10.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 18.5 pt -56.97 -27.24 26.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 11.3 m0 -109.68 157.31 19.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 820' ' ' LYS . . . . . 0.479 ' HE2' ' CE1' ' A' ' 808' ' ' TYR . 13.5 tppt? -76.01 -50.32 15.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 821' ' ' SER . . . . . 0.44 ' HA ' HD12 ' A' ' 824' ' ' ILE . 38.9 m -44.91 -54.3 6.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 40.4 mt -48.73 -37.59 19.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 823' ' ' LEU . . . . . 0.626 HD11 ' HA ' ' A' ' 810' ' ' CYS . 13.9 tp -72.3 -32.59 66.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 824' ' ' ILE . . . . . 0.44 HD12 ' HA ' ' A' ' 821' ' ' SER . 92.1 mt -68.37 -58.05 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 825' ' ' VAL . . . . . 0.417 HG23 ' H ' ' A' ' 825' ' ' VAL . 3.7 t -60.56 -10.31 2.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 826' ' ' HIS . . . . . 0.543 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 27.4 t60 -96.61 -58.83 1.95 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -40.72 -37.79 0.81 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.901 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 808' ' ' TYR . . . . . 0.561 ' CE1' ' HB2' ' A' ' 820' ' ' LYS . 18.9 m-85 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.852 0.358 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 809' ' ' GLU . . . . . 0.472 ' CG ' ' O ' ' A' ' 815' ' ' LYS . 12.5 tt0 -152.78 118.19 5.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 810' ' ' CYS . . . . . 0.677 ' HA ' HD11 ' A' ' 823' ' ' LEU . 13.9 t -44.52 155.34 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -102.49 -36.92 8.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -60.68 -61.57 2.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 20.9 p -96.84 -48.21 5.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 119.64 14.93 5.54 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.475 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . 0.537 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 1.8 mmpt? -50.89 166.21 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.827 0.346 . . . . 0.0 110.875 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 816' ' ' ALA . . . . . . . . . . . . . . . -128.83 124.63 35.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.073 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -128.54 149.06 50.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 818' ' ' ILE . . . . . 0.413 HG13 ' N ' ' A' ' 819' ' ' TRP . 41.4 pt -79.35 -33.43 15.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.139 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 819' ' ' TRP . . . . . 0.413 ' N ' HG13 ' A' ' 818' ' ' ILE . 17.6 m0 -111.07 147.45 34.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 820' ' ' LYS . . . . . 0.561 ' HB2' ' CE1' ' A' ' 808' ' ' TYR . 32.1 tptt -60.15 -62.19 2.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 821' ' ' SER . . . . . 0.531 ' HA ' HD12 ' A' ' 824' ' ' ILE . 90.8 p -35.3 -53.48 0.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 78.1 mt -45.77 -43.94 13.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 823' ' ' LEU . . . . . 0.677 HD11 ' HA ' ' A' ' 810' ' ' CYS . 16.5 tp -65.25 -35.31 80.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 824' ' ' ILE . . . . . 0.531 HD12 ' HA ' ' A' ' 821' ' ' SER . 83.9 mt -65.86 -59.12 4.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 825' ' ' VAL . . . . . . . . . . . . . 20.6 t -57.61 -12.03 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 826' ' ' HIS . . . . . 0.537 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 26.0 t60 -94.58 -58.46 2.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -38.87 -39.32 0.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . 0.425 ' NH1' ' HB2' ' A' ' 828' ' ' ARG . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 808' ' ' TYR . . . . . 0.511 ' CE1' ' HD3' ' A' ' 820' ' ' LYS . 26.3 m-85 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.883 0.373 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 809' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' A' ' 815' ' ' LYS . 15.8 tt0 -154.75 107.5 2.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 810' ' ' CYS . . . . . 0.446 ' C ' ' O ' ' A' ' 809' ' ' GLU . 8.0 t -34.37 151.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -104.74 -27.99 11.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -68.58 -47.59 66.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 24.4 p -111.14 -45.6 3.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 117.22 14.48 7.05 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.49 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . 0.561 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 24.8 mmtt -55.93 176.39 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.784 0.326 . . . . 0.0 110.903 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 816' ' ' ALA . . . . . 0.535 ' C ' ' CD1' ' A' ' 817' ' ' PHE . . . -134.31 152.31 51.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.097 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 817' ' ' PHE . . . . . 0.535 ' CD1' ' C ' ' A' ' 816' ' ' ALA . 6.3 m-85 -159.85 139.1 11.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.922 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 19.1 pt -74.64 -26.25 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.121 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 8.4 m0 -110.77 152.57 26.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 820' ' ' LYS . . . . . 0.511 ' HD3' ' CE1' ' A' ' 808' ' ' TYR . 55.1 tptt -70.91 -52.35 20.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 821' ' ' SER . . . . . . . . . . . . . 5.1 m -46.22 -52.17 12.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 77.1 mt -46.15 -38.9 8.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 823' ' ' LEU . . . . . 0.41 HD11 ' HA ' ' A' ' 810' ' ' CYS . 16.5 tp -71.46 -49.69 38.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 824' ' ' ILE . . . . . . . . . . . . . 85.9 mt -48.23 -59.17 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 825' ' ' VAL . . . . . . . . . . . . . 12.1 t -58.3 -19.85 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.085 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 826' ' ' HIS . . . . . 0.561 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 30.4 t60 -89.72 -27.78 19.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -74.24 -30.63 62.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 18.2 ptt180 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.912 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 808' ' ' TYR . . . . . 0.531 ' HB3' HD22 ' A' ' 823' ' ' LEU . 48.9 m-85 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.819 0.342 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 809' ' ' GLU . . . . . 0.422 ' CG ' ' O ' ' A' ' 815' ' ' LYS . 12.5 tt0 -138.01 111.2 7.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.939 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 810' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 809' ' ' GLU . 8.6 t -37.84 153.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -104.9 -32.39 8.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -62.56 -49.49 75.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 14.2 p -111.33 -49.54 3.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.864 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 120.84 16.66 4.42 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.438 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . 0.422 ' O ' ' CG ' ' A' ' 809' ' ' GLU . 4.2 mmpt? -56.51 175.7 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.804 0.335 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 816' ' ' ALA . . . . . . . . . . . . . . . -136.63 139.57 42.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.137 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -146.66 141.19 26.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.863 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 30.7 pt -76.31 -30.98 20.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.109 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 11.6 m0 -108.6 137.03 47.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 820' ' ' LYS . . . . . 0.502 ' HD3' ' CE1' ' A' ' 808' ' ' TYR . 56.1 tptt -58.79 -50.83 72.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 821' ' ' SER . . . . . 0.943 ' HA ' HD12 ' A' ' 824' ' ' ILE . 16.4 p -44.17 -42.26 6.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 72.3 mt -58.99 -42.21 89.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 823' ' ' LEU . . . . . 0.531 HD22 ' HB3' ' A' ' 808' ' ' TYR . 21.9 tp -63.3 -34.44 77.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.96 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 824' ' ' ILE . . . . . 0.943 HD12 ' HA ' ' A' ' 821' ' ' SER . 21.0 mt -65.5 -64.75 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.163 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 825' ' ' VAL . . . . . . . . . . . . . 16.9 t -50.36 -18.87 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 826' ' ' HIS . . . . . 0.431 ' O ' ' C ' ' A' ' 827' ' ' GLU . 39.2 t60 -88.32 -59.71 2.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 827' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 826' ' ' HIS . 32.2 mt-10 -36.04 -44.69 0.39 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.944 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 808' ' ' TYR . . . . . 0.473 ' CE1' ' HB2' ' A' ' 820' ' ' LYS . 52.9 m-85 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.854 0.359 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 809' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -128.83 118.78 23.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 810' ' ' CYS . . . . . . . . . . . . . 34.1 t -48.53 154.76 0.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -101.57 -29.88 11.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.921 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -67.63 -61.13 2.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 20.9 p -98.46 -46.55 5.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 117.61 14.86 6.63 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.505 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . 0.522 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 45.6 mmtt -53.76 175.02 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.769 0.318 . . . . 0.0 110.941 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 816' ' ' ALA . . . . . . . . . . . . . . . -138.83 139.44 38.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.125 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -145.72 141.65 28.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 37.8 pt -71.63 -30.77 39.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.078 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 20.2 m0 -113.14 145.94 40.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.927 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 820' ' ' LYS . . . . . 0.473 ' HB2' ' CE1' ' A' ' 808' ' ' TYR . 10.6 tppt? -64.24 -48.35 76.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.867 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 821' ' ' SER . . . . . 0.548 ' HA ' HD12 ' A' ' 824' ' ' ILE . 96.1 p -45.98 -44.08 14.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.805 -179.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 54.0 mt -58.13 -35.64 71.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 26.7 tp -72.1 -33.39 67.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.927 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 824' ' ' ILE . . . . . 0.548 HD12 ' HA ' ' A' ' 821' ' ' SER . 80.3 mt -64.9 -60.05 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 825' ' ' VAL . . . . . 0.479 ' O ' HG12 ' A' ' 825' ' ' VAL . 91.4 t -58.83 -11.0 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.088 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 826' ' ' HIS . . . . . 0.522 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 30.7 t60 -93.8 -55.63 3.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -41.01 -39.97 1.31 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 41.7 ptt85 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.913 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 808' ' ' TYR . . . . . 0.476 ' CZ ' ' HB2' ' A' ' 820' ' ' LYS . 32.4 m-85 . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.846 0.355 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 809' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -150.62 111.14 4.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.941 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 810' ' ' CYS . . . . . . . . . . . . . 32.6 t -41.51 156.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 17.8 t30 -103.83 -31.44 9.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -67.51 -57.13 7.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 23.1 p -100.24 -47.04 5.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 114.36 17.25 7.23 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.464 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . 0.48 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 2.3 mmpt? -55.09 176.7 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.737 0.303 . . . . 0.0 110.927 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 816' ' ' ALA . . . . . . . . . . . . . . . -141.48 134.66 29.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.13 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -139.67 144.93 37.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 28.1 pt -74.09 -25.91 20.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.126 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 18.1 m0 -115.93 152.48 33.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 820' ' ' LYS . . . . . 0.476 ' HB2' ' CZ ' ' A' ' 808' ' ' TYR . 32.1 tptt -67.49 -58.53 4.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 821' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 820' ' ' LYS . 26.2 m -37.61 -50.16 1.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 78.6 mt -49.58 -42.07 43.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 823' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 820' ' ' LYS . 12.6 tp -67.07 -37.76 84.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 824' ' ' ILE . . . . . . . . . . . . . 79.4 mt -64.02 -60.83 2.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.112 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 825' ' ' VAL . . . . . . . . . . . . . 14.1 t -60.36 -9.51 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 826' ' ' HIS . . . . . 0.48 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 11.4 t60 -93.2 -59.34 2.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -44.17 -39.54 4.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 17.6 ptt180 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.863 -179.941 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 808' ' ' TYR . . . . . 0.686 ' HB3' HD22 ' A' ' 823' ' ' LEU . 5.2 m-85 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.84 0.353 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 809' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 810' ' ' CYS . 10.3 tt0 -146.58 107.5 4.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 810' ' ' CYS . . . . . 0.422 ' C ' ' O ' ' A' ' 809' ' ' GLU . 23.0 t -36.03 152.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.917 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -105.62 -28.43 10.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -66.8 -47.34 72.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.845 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 21.7 p -113.22 -45.42 3.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 118.06 13.6 7.02 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.491 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . 0.559 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 16.4 mmtm -54.32 173.42 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.766 0.317 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 816' ' ' ALA . . . . . . . . . . . . . . . -138.08 133.17 33.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.136 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -135.67 149.31 49.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.85 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 24.7 pt -82.15 -26.18 9.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.143 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 819' ' ' TRP . . . . . 0.452 ' HB2' ' CD1' ' A' ' 822' ' ' LEU . 11.8 m0 -115.67 149.38 38.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 820' ' ' LYS . . . . . 0.516 ' HE3' ' CE1' ' A' ' 808' ' ' TYR . 3.0 tppp? -66.94 -53.35 32.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 821' ' ' SER . . . . . 0.781 ' HA ' HD12 ' A' ' 824' ' ' ILE . 91.6 p -46.07 -36.83 6.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 822' ' ' LEU . . . . . 0.452 ' CD1' ' HB2' ' A' ' 819' ' ' TRP . 76.4 mt -65.34 -35.87 82.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.907 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 823' ' ' LEU . . . . . 0.686 HD22 ' HB3' ' A' ' 808' ' ' TYR . 23.0 tp -72.62 -28.64 62.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 824' ' ' ILE . . . . . 0.781 HD12 ' HA ' ' A' ' 821' ' ' SER . 40.0 mt -70.66 -57.52 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 825' ' ' VAL . . . . . 0.43 ' O ' HG12 ' A' ' 825' ' ' VAL . 57.9 t -58.75 -13.09 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 826' ' ' HIS . . . . . 0.559 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 35.4 t60 -96.56 -54.96 3.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -47.57 -33.68 6.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.909 -179.93 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 808' ' ' TYR . . . . . 0.604 ' HB3' HD22 ' A' ' 823' ' ' LEU . 16.3 m-85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.857 0.36 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 809' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 810' ' ' CYS . 10.5 tt0 -152.13 107.82 3.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 810' ' ' CYS . . . . . 0.433 ' C ' ' O ' ' A' ' 809' ' ' GLU . 14.6 t -35.45 152.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -103.56 -35.96 8.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -58.7 -55.49 34.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 19.7 p -105.63 -49.17 3.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 122.86 14.0 4.36 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.476 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . 0.574 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 18.1 mmmt -51.92 165.86 0.18 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.82 0.343 . . . . 0.0 110.865 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 816' ' ' ALA . . . . . . . . . . . . . . . -128.92 140.69 51.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 817' ' ' PHE . . . . . 0.49 ' CZ ' ' HB3' ' A' ' 815' ' ' LYS . 6.2 m-85 -147.03 140.85 25.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 9.2 pt -78.3 -23.44 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.132 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 7.3 m0 -114.87 144.26 43.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 820' ' ' LYS . . . . . 0.523 ' HB2' ' CZ ' ' A' ' 808' ' ' TYR . 16.9 tptm -62.52 -56.07 21.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 821' ' ' SER . . . . . 0.58 ' HA ' HD12 ' A' ' 824' ' ' ILE . 76.3 p -40.73 -51.11 3.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 71.4 mt -49.62 -40.92 40.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.936 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 823' ' ' LEU . . . . . 0.604 HD22 ' HB3' ' A' ' 808' ' ' TYR . 17.8 tp -68.08 -32.26 72.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 824' ' ' ILE . . . . . 0.58 HD12 ' HA ' ' A' ' 821' ' ' SER . 70.1 mt -69.88 -47.43 69.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 825' ' ' VAL . . . . . . . . . . . . . 23.9 t -65.59 -18.13 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.107 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 826' ' ' HIS . . . . . 0.574 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 39.1 t60 -92.45 -47.65 7.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -44.88 -30.71 1.04 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.939 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 808' ' ' TYR . . . . . 0.453 ' CZ ' ' HB2' ' A' ' 820' ' ' LYS . 23.3 m-85 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.84 0.352 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 809' ' ' GLU . . . . . 0.429 ' CG ' ' O ' ' A' ' 815' ' ' LYS . 20.9 tt0 -150.86 112.91 4.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.925 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 810' ' ' CYS . . . . . 0.608 ' HA ' HD11 ' A' ' 823' ' ' LEU . 12.9 t -39.53 153.52 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -104.12 -35.14 8.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -60.49 -52.13 66.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 9.8 p -107.07 -49.63 3.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.84 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 122.45 11.53 5.54 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.468 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . 0.429 ' O ' ' CG ' ' A' ' 809' ' ' GLU . 0.0 OUTLIER -55.08 172.0 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.79 0.328 . . . . 0.0 110.873 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 816' ' ' ALA . . . . . . . . . . . . . . . -133.2 133.77 43.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.115 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -134.38 132.51 39.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 11.0 pt -67.06 -25.36 33.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.087 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 7.8 m0 -114.85 144.38 43.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 820' ' ' LYS . . . . . 0.453 ' HB2' ' CZ ' ' A' ' 808' ' ' TYR . 20.4 tptm -60.76 -60.62 3.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.884 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 821' ' ' SER . . . . . 0.619 ' HA ' HD12 ' A' ' 824' ' ' ILE . 50.4 m -37.61 -52.65 1.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 76.9 mt -46.67 -41.28 14.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 823' ' ' LEU . . . . . 0.608 HD11 ' HA ' ' A' ' 810' ' ' CYS . 11.6 tp -68.89 -36.44 78.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 824' ' ' ILE . . . . . 0.619 HD12 ' HA ' ' A' ' 821' ' ' SER . 67.3 mt -64.1 -59.63 3.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.165 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 825' ' ' VAL . . . . . 0.5 ' O ' HG12 ' A' ' 825' ' ' VAL . 83.1 t -60.35 -9.65 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.117 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 826' ' ' HIS . . . . . 0.424 ' O ' ' C ' ' A' ' 827' ' ' GLU . 38.4 t60 -94.88 -64.04 1.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 827' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 826' ' ' HIS . 59.7 mt-10 -36.37 -39.06 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . 0.477 ' NE ' ' HA ' ' A' ' 825' ' ' VAL . 9.5 ptp180 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 42.7 m -100.1 86.85 3.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.901 0.382 . . . . 0.0 110.862 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 798' ' ' SER . . . . . . . . . . . . . 46.7 t -84.05 42.42 0.87 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . -81.02 -67.28 1.55 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.436 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 6.5 t 69.73 42.73 1.04 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.873 0.368 . . . . 0.0 110.89 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 801' ' ' SER . . . . . . . . . . . . . 1.4 t -154.36 156.76 37.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.894 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 802' ' ' GLY . . . . . . . . . . . . . . . 133.18 113.91 1.48 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.458 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 86.9 p -71.84 153.18 42.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.945 0.402 . . . . 0.0 110.818 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 170.1 37.46 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.511 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -108.71 33.61 4.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.891 0.377 . . . . 0.0 110.876 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 806' ' ' LYS . . . . . 0.451 ' HD3' ' N ' ' A' ' 806' ' ' LYS . 0.0 OUTLIER -105.59 143.18 26.3 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.573 0.702 . . . . 0.0 110.914 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 807' ' ' PRO . . . . . 0.49 ' HG2' ' CD2' ' A' ' 808' ' ' TYR . 53.9 Cg_endo -69.72 -16.98 38.0 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.675 2.25 . . . . 0.0 112.382 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 808' ' ' TYR . . . . . 0.536 ' CE1' ' HD3' ' A' ' 820' ' ' LYS . 55.9 m-85 -125.73 145.0 50.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 809' ' ' GLU . . . . . 0.412 ' CG ' ' O ' ' A' ' 815' ' ' LYS . 21.7 tt0 -154.33 110.02 3.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 810' ' ' CYS . . . . . 0.696 ' HA ' HD11 ' A' ' 823' ' ' LEU . 13.6 t -37.95 152.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -101.1 -33.71 10.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 812' ' ' GLU . . . . . 0.447 ' HB2' ' CD2' ' A' ' 830' ' ' HIS . 57.5 mm-40 -60.62 -60.72 3.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.873 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 20.8 p -99.53 -49.37 4.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 121.51 14.73 4.75 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.452 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . 0.427 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 39.5 mmtt -56.31 174.41 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.802 0.334 . . . . 0.0 110.844 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 816' ' ' ALA . . . . . . . . . . . . . . . -130.96 146.43 52.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.066 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -151.46 124.81 8.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 21.8 pt -59.96 -28.27 40.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.097 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 9.0 m0 -110.5 156.2 21.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.939 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 820' ' ' LYS . . . . . 0.536 ' HD3' ' CE1' ' A' ' 808' ' ' TYR . 17.5 tptp -71.46 -58.55 3.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.918 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 821' ' ' SER . . . . . . . . . . . . . 19.7 m -41.48 -52.37 3.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.811 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 70.8 mt -46.23 -39.02 9.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 823' ' ' LEU . . . . . 0.696 HD11 ' HA ' ' A' ' 810' ' ' CYS . 14.4 tp -72.71 -37.65 67.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 824' ' ' ILE . . . . . . . . . . . . . 90.6 mt -63.4 -57.84 10.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.125 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 825' ' ' VAL . . . . . 0.496 ' O ' HG12 ' A' ' 825' ' ' VAL . 93.9 t -60.06 -9.88 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.159 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 826' ' ' HIS . . . . . 0.427 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 17.3 t60 -95.16 -56.18 2.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -39.18 -36.12 0.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . 0.494 ' O ' ' N ' ' A' ' 830' ' ' HIS . 2.8 ptm85 -54.94 -45.09 74.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 829' ' ' THR . . . . . . . . . . . . . 52.8 p -38.39 -26.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.09 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 830' ' ' HIS . . . . . 0.494 ' N ' ' O ' ' A' ' 828' ' ' ARG . 90.3 m-70 -89.43 43.5 1.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.841 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -128.21 81.42 2.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.103 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 832' ' ' GLY . . . . . . . . . . . . . . . 40.59 54.88 3.32 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.527 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 11.9 p -77.81 -30.39 16.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.856 0.36 . . . . 0.0 111.131 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 95.8 p -140.56 167.68 21.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.835 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 835' ' ' GLY . . . . . . . . . . . . . . . -91.99 -167.5 40.16 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.487 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 836' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 91.54 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.694 2.263 . . . . 0.0 112.326 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 837' ' ' SER . . . . . . . . . . . . . 2.8 m -90.69 41.68 1.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.871 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 838' ' ' SER . . . . . . . . . . . . . 3.3 t -167.18 169.68 12.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 839' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.464 179.988 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 54.9 p -173.87 164.61 4.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.895 0.379 . . . . 0.0 110.83 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 798' ' ' SER . . . . . . . . . . . . . 78.7 p -109.39 117.46 34.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.842 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . 73.85 91.54 0.14 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.518 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 75.8 p -74.32 129.81 38.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.885 0.374 . . . . 0.0 110.869 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 801' ' ' SER . . . . . . . . . . . . . 3.3 m -139.73 160.38 40.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 802' ' ' GLY . . . . . . . . . . . . . . . -110.72 -116.16 3.67 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.485 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 4.8 m -157.62 132.54 8.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.964 0.411 . . . . 0.0 110.897 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 69.25 170.4 6.98 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -113.94 24.0 12.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.908 0.385 . . . . 0.0 110.911 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 806' ' ' LYS . . . . . 0.551 ' HE3' ' HB1' ' A' ' 816' ' ' ALA . 0.0 OUTLIER -47.75 143.24 6.18 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.588 0.708 . . . . 0.0 110.916 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 807' ' ' PRO . . . . . 0.559 ' HG2' ' CD2' ' A' ' 808' ' ' TYR . 53.2 Cg_endo -69.76 -40.89 4.79 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.701 2.267 . . . . 0.0 112.352 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 808' ' ' TYR . . . . . 0.566 ' CE1' ' HB2' ' A' ' 820' ' ' LYS . 20.9 m-85 -100.1 131.94 45.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 809' ' ' GLU . . . . . 0.432 ' CG ' ' O ' ' A' ' 815' ' ' LYS . 11.9 tt0 -143.59 110.1 5.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 810' ' ' CYS . . . . . 0.507 ' HA ' HD11 ' A' ' 823' ' ' LEU . 11.6 t -36.59 151.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.931 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -101.45 -31.35 10.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 812' ' ' GLU . . . . . 0.481 ' HG3' ' CG ' ' A' ' 830' ' ' HIS . 1.7 tm-20 -63.89 -58.8 5.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 17.5 p -99.88 -48.8 4.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 119.52 14.97 5.58 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.443 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . 0.432 ' O ' ' CG ' ' A' ' 809' ' ' GLU . 19.3 mmtm -57.27 169.27 0.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.807 0.337 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 816' ' ' ALA . . . . . 0.551 ' HB1' ' HE3' ' A' ' 806' ' ' LYS . . . -131.42 139.66 49.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.101 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -145.95 127.91 15.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 34.4 pt -58.64 -26.82 32.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.166 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 16.7 m0 -114.72 146.73 40.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.957 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 820' ' ' LYS . . . . . 0.566 ' HB2' ' CE1' ' A' ' 808' ' ' TYR . 18.2 tptm -67.34 -52.48 39.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.898 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 821' ' ' SER . . . . . 0.837 ' HA ' HD12 ' A' ' 824' ' ' ILE . 95.9 p -41.09 -49.87 3.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.827 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 68.0 mt -50.56 -41.92 54.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 823' ' ' LEU . . . . . 0.507 HD11 ' HA ' ' A' ' 810' ' ' CYS . 24.0 tp -65.84 -35.57 81.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.948 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 824' ' ' ILE . . . . . 0.837 HD12 ' HA ' ' A' ' 821' ' ' SER . 40.6 mt -64.63 -57.29 11.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 825' ' ' VAL . . . . . 0.438 ' O ' HG12 ' A' ' 825' ' ' VAL . 23.1 t -63.29 -9.65 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.109 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 826' ' ' HIS . . . . . 0.501 ' O ' HG23 ' A' ' 829' ' ' THR . 14.3 t60 -93.82 -57.38 2.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -43.91 -45.15 7.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -44.04 -37.37 2.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.896 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 829' ' ' THR . . . . . 0.501 HG23 ' O ' ' A' ' 826' ' ' HIS . 70.1 p -48.07 -49.38 31.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.11 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 830' ' ' HIS . . . . . 0.481 ' CG ' ' HG3' ' A' ' 812' ' ' GLU . 96.0 m-70 -57.37 -23.65 50.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.833 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -85.16 44.71 1.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.068 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 832' ' ' GLY . . . . . . . . . . . . . . . -110.63 -48.96 0.71 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.463 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 32.7 m -97.65 156.98 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.856 0.36 . . . . 0.0 111.125 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 1.1 t -113.26 -61.94 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 835' ' ' GLY . . . . . . . . . . . . . . . 96.32 146.24 20.55 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.445 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 836' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.76 -17.38 37.6 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.653 2.235 . . . . 0.0 112.316 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 837' ' ' SER . . . . . . . . . . . . . 38.0 p -46.16 -61.08 1.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 838' ' ' SER . . . . . . . . . . . . . 40.4 t -126.18 133.6 51.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 839' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.473 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 74.4 p 39.43 42.19 0.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.87 0.367 . . . . 0.0 110.851 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 798' ' ' SER . . . . . . . . . . . . . 30.3 t -88.88 166.39 14.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . 133.87 -72.18 0.48 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.472 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 2.4 t -46.48 132.71 10.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.846 0.355 . . . . 0.0 110.907 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 801' ' ' SER . . . . . . . . . . . . . 73.1 m -92.61 85.28 5.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.839 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 802' ' ' GLY . . . . . . . . . . . . . . . 49.28 -144.98 7.85 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.467 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 77.6 p -86.39 151.23 23.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.879 0.371 . . . . 0.0 110.891 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 104.78 170.01 24.41 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.469 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -160.36 162.56 33.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.939 0.399 . . . . 0.0 110.88 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 806' ' ' LYS . . . . . 0.548 ' HB2' ' HB1' ' A' ' 816' ' ' ALA . 2.4 mptp? -67.91 143.02 96.01 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.585 0.707 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 807' ' ' PRO . . . . . 0.529 ' HG2' ' CD2' ' A' ' 808' ' ' TYR . 53.6 Cg_endo -69.86 -25.81 27.76 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.668 2.246 . . . . 0.0 112.324 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 808' ' ' TYR . . . . . 0.529 ' CD2' ' HG2' ' A' ' 807' ' ' PRO . 42.7 m-85 -113.14 130.15 56.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.911 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 809' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -138.08 114.96 10.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 810' ' ' CYS . . . . . . . . . . . . . 29.5 t -44.84 153.3 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -99.99 -29.45 12.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.28 -62.37 1.43 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 22.4 p -97.09 -48.32 5.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 118.85 15.83 5.61 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.441 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . 0.562 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 14.0 mmmt -53.09 173.83 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.769 0.318 . . . . 0.0 110.886 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 816' ' ' ALA . . . . . 0.548 ' HB1' ' HB2' ' A' ' 806' ' ' LYS . . . -135.42 139.67 44.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.102 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -144.54 149.92 36.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 19.7 pt -83.42 -25.12 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 15.3 m0 -118.55 144.81 45.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.932 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 820' ' ' LYS . . . . . 0.404 ' HB2' ' CZ ' ' A' ' 808' ' ' TYR . 19.4 tptp -60.66 -50.22 74.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 821' ' ' SER . . . . . 0.573 ' HA ' HD12 ' A' ' 824' ' ' ILE . 57.6 p -45.22 -50.33 11.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 75.3 mt -50.71 -41.03 55.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 15.4 tp -66.28 -40.66 90.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 824' ' ' ILE . . . . . 0.573 HD12 ' HA ' ' A' ' 821' ' ' SER . 59.6 mt -60.21 -60.11 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 825' ' ' VAL . . . . . . . . . . . . . 4.9 t -55.82 -13.39 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.112 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 826' ' ' HIS . . . . . 0.562 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 30.8 t60 -91.59 -59.13 2.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 827' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 826' ' ' HIS . 41.4 mt-10 -36.29 -43.17 0.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . 0.429 ' CG ' ' N ' ' A' ' 829' ' ' THR . 6.9 ptm180 -48.03 -47.02 33.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 829' ' ' THR . . . . . 0.429 ' N ' ' CG ' ' A' ' 828' ' ' ARG . 73.6 p -39.16 -37.67 0.42 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 830' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -81.91 40.42 0.61 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -122.17 111.33 16.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.143 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 832' ' ' GLY . . . . . . . . . . . . . . . 137.4 -66.56 0.54 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.48 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 2.5 p -133.82 137.45 52.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.806 0.336 . . . . 0.0 111.152 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 4.3 m -113.97 110.4 20.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.815 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 835' ' ' GLY . . . . . . . . . . . . . . . -78.11 -93.2 0.28 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.489 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 836' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 124.78 11.42 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.712 2.275 . . . . 0.0 112.336 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 837' ' ' SER . . . . . . . . . . . . . 44.5 t -101.36 118.5 37.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.874 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 838' ' ' SER . . . . . . . . . . . . . 17.4 t -131.82 128.0 37.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.857 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 839' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.475 -179.962 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 4.0 m -128.53 113.72 15.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.871 0.367 . . . . 0.0 110.886 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 798' ' ' SER . . . . . . . . . . . . . 90.8 p -132.63 174.0 10.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . 160.4 69.16 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.484 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 65.6 p -85.21 102.02 12.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.893 0.378 . . . . 0.0 110.837 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 801' ' ' SER . . . . . . . . . . . . . 5.6 t -117.87 95.68 5.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 802' ' ' GLY . . . . . . . . . . . . . . . 79.96 96.55 0.33 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.536 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 50.9 m -104.22 41.53 1.3 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.896 0.379 . . . . 0.0 110.859 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 148.56 65.94 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.51 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -128.97 44.27 3.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.915 0.388 . . . . 0.0 110.9 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 806' ' ' LYS . . . . . 0.553 ' HD3' ' HB1' ' A' ' 816' ' ' ALA . 8.7 mptt -119.51 143.3 34.34 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.563 0.697 . . . . 0.0 110.92 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 807' ' ' PRO . . . . . 0.555 ' HG2' ' CD2' ' A' ' 808' ' ' TYR . 53.9 Cg_endo -69.81 -17.29 37.44 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.684 2.256 . . . . 0.0 112.307 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 808' ' ' TYR . . . . . 0.555 ' CD2' ' HG2' ' A' ' 807' ' ' PRO . 19.6 m-85 -120.17 131.21 54.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.927 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 809' ' ' GLU . . . . . 0.457 ' CG ' ' O ' ' A' ' 815' ' ' LYS . 12.2 tt0 -144.32 114.16 7.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.873 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 810' ' ' CYS . . . . . . . . . . . . . 49.4 t -39.02 152.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -103.81 -24.57 13.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 812' ' ' GLU . . . . . 0.518 ' HG2' ' CG ' ' A' ' 830' ' ' HIS . 4.7 tp10 -71.4 -54.45 10.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 20.6 p -104.84 -49.1 3.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.861 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 122.6 13.54 4.64 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.477 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . 0.558 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 2.3 mmmp? -54.65 168.39 0.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.841 0.353 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 816' ' ' ALA . . . . . 0.553 ' HB1' ' HD3' ' A' ' 806' ' ' LYS . . . -129.1 140.58 51.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -147.38 134.83 20.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 10.7 pt -72.7 -19.98 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 819' ' ' TRP . . . . . 0.435 ' HB2' ' CD1' ' A' ' 822' ' ' LEU . 7.3 m0 -117.7 149.44 40.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 820' ' ' LYS . . . . . 0.407 ' HE3' ' CE1' ' A' ' 808' ' ' TYR . 2.7 tppp? -68.39 -54.53 16.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 821' ' ' SER . . . . . 0.753 ' HA ' HD12 ' A' ' 824' ' ' ILE . 51.2 m -44.33 -46.01 9.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 822' ' ' LEU . . . . . 0.435 ' CD1' ' HB2' ' A' ' 819' ' ' TRP . 78.4 mt -54.13 -37.47 64.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 15.7 tp -70.24 -33.64 71.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 824' ' ' ILE . . . . . 0.753 HD12 ' HA ' ' A' ' 821' ' ' SER . 44.1 mt -66.7 -61.44 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 825' ' ' VAL . . . . . . . . . . . . . 44.8 t -54.47 -14.49 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.112 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 826' ' ' HIS . . . . . 0.831 ' O ' HG22 ' A' ' 829' ' ' THR . 37.2 t60 -92.97 -55.32 3.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -48.6 -22.79 0.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.832 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 5.0 ptt-85 -64.63 -41.77 95.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 829' ' ' THR . . . . . 0.831 HG22 ' O ' ' A' ' 826' ' ' HIS . 10.8 t -54.5 -22.74 13.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.187 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 830' ' ' HIS . . . . . 0.518 ' CG ' ' HG2' ' A' ' 812' ' ' GLU . 87.5 m-70 -83.81 35.1 0.51 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -108.59 45.27 1.04 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 832' ' ' GLY . . . . . . . . . . . . . . . 139.75 -138.72 9.39 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.51 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 833' ' ' VAL . . . . . 0.484 HG11 ' HB2' ' A' ' 838' ' ' SER . 27.3 t -45.44 141.76 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.874 0.369 . . . . 0.0 111.122 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 2.2 t -52.97 -54.56 33.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 835' ' ' GLY . . . . . . . . . . . . . . . -119.99 144.08 17.14 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.467 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 836' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -3.9 12.94 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.67 2.246 . . . . 0.0 112.348 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 837' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 838' ' ' SER . 2.3 m -75.41 -45.84 36.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 838' ' ' SER . . . . . 0.484 ' HB2' HG11 ' A' ' 833' ' ' VAL . 33.2 m -35.04 140.65 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.847 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 839' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.53 -179.987 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 4.1 m -156.6 164.79 37.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.844 0.354 . . . . 0.0 110.852 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 798' ' ' SER . . . . . . . . . . . . . 2.3 m -125.3 126.84 45.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.857 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . -166.4 113.56 0.55 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.513 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 10.5 m -164.77 140.35 5.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.867 0.365 . . . . 0.0 110.88 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 801' ' ' SER . . . . . . . . . . . . . 6.6 t -172.33 172.09 4.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 802' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 803' ' ' SER . . . -176.35 92.02 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.516 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 802' ' ' GLY . 71.1 p -35.71 116.21 0.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.894 0.378 . . . . 0.0 110.844 -179.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 69.92 143.19 0.18 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.532 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -79.29 142.01 36.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.904 0.383 . . . . 0.0 110.854 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 806' ' ' LYS . . . . . 0.617 ' HG3' ' HB1' ' A' ' 816' ' ' ALA . 25.9 mmtm -79.95 141.74 55.21 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.587 0.708 . . . . 0.0 110.917 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 807' ' ' PRO . . . . . 0.555 ' HG2' ' CD2' ' A' ' 808' ' ' TYR . 53.6 Cg_endo -69.78 -48.57 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.703 2.269 . . . . 0.0 112.284 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 808' ' ' TYR . . . . . 0.713 ' HB3' HD22 ' A' ' 823' ' ' LEU . 4.0 m-85 -101.82 161.11 13.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.929 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 809' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 810' ' ' CYS . 8.0 tt0 -166.09 107.78 0.73 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.885 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 810' ' ' CYS . . . . . 0.515 ' HA ' HD11 ' A' ' 823' ' ' LEU . 17.5 t -35.42 152.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.849 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -103.97 -36.04 7.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 812' ' ' GLU . . . . . 0.497 ' HG3' ' CG ' ' A' ' 830' ' ' HIS . 0.1 OUTLIER -56.97 -53.14 61.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 19.7 p -108.04 -49.53 3.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 122.85 14.14 4.32 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.487 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . 0.575 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 31.9 mmtm -55.33 163.89 1.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.785 0.326 . . . . 0.0 110.875 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 816' ' ' ALA . . . . . 0.617 ' HB1' ' HG3' ' A' ' 806' ' ' LYS . . . -126.74 142.54 51.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -147.49 128.26 14.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 818' ' ' ILE . . . . . 0.408 HG13 ' N ' ' A' ' 819' ' ' TRP . 19.0 pt -61.78 -29.12 45.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.085 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 819' ' ' TRP . . . . . 0.408 ' N ' HG13 ' A' ' 818' ' ' ILE . 10.4 m0 -110.17 155.39 22.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 820' ' ' LYS . . . . . 0.513 ' HB2' ' CZ ' ' A' ' 808' ' ' TYR . 19.3 tptm -71.25 -59.56 2.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 821' ' ' SER . . . . . 0.631 ' HA ' HD12 ' A' ' 824' ' ' ILE . 23.5 m -37.78 -54.51 1.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.819 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 53.4 mt -46.5 -39.98 11.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 823' ' ' LEU . . . . . 0.713 HD22 ' HB3' ' A' ' 808' ' ' TYR . 57.7 tp -68.18 -35.04 77.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.946 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 824' ' ' ILE . . . . . 0.631 HD12 ' HA ' ' A' ' 821' ' ' SER . 56.3 mt -67.33 -57.21 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 825' ' ' VAL . . . . . 0.414 ' O ' HG12 ' A' ' 825' ' ' VAL . 61.7 t -55.61 -14.09 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.169 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 826' ' ' HIS . . . . . 0.797 ' O ' HG22 ' A' ' 829' ' ' THR . 25.7 t60 -96.28 -54.18 3.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.823 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -41.07 -29.93 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . 0.412 ' O ' ' N ' ' A' ' 830' ' ' HIS . 9.0 ptm180 -68.67 -41.55 79.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 829' ' ' THR . . . . . 0.797 HG22 ' O ' ' A' ' 826' ' ' HIS . 6.3 t -43.69 -22.43 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.115 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 830' ' ' HIS . . . . . 0.497 ' CG ' ' HG3' ' A' ' 812' ' ' GLU . 97.8 m-70 -88.36 39.49 0.91 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -125.44 87.99 2.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 832' ' ' GLY . . . . . . . . . . . . . . . -171.39 -111.3 0.25 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 30.8 m -115.37 131.89 66.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.828 0.347 . . . . 0.0 111.161 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 53.8 p -131.17 147.72 52.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.835 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 835' ' ' GLY . . . . . . . . . . . . . . . -158.88 -67.69 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.489 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 836' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 2.83 3.17 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.674 2.249 . . . . 0.0 112.389 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 837' ' ' SER . . . . . . . . . . . . . 26.2 m -114.58 137.04 52.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.838 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 838' ' ' SER . . . . . . . . . . . . . 33.5 t -153.88 121.47 5.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 839' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.46 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 15.3 m -81.16 97.17 7.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.913 0.387 . . . . 0.0 110.853 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 798' ' ' SER . . . . . . . . . . . . . 38.6 t -63.59 136.54 57.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.901 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . 173.31 -132.42 2.33 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.454 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 3.2 t -117.33 88.05 2.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.891 0.377 . . . . 0.0 110.852 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 801' ' ' SER . . . . . . . . . . . . . 7.1 m -119.63 104.23 10.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.831 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 802' ' ' GLY . . . . . . . . . . . . . . . 113.1 51.21 0.52 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.474 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 3.4 m -102.07 172.53 6.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.904 0.383 . . . . 0.0 110.875 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 114.62 48.26 0.55 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.533 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -112.71 42.76 1.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.904 0.383 . . . . 0.0 110.872 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 806' ' ' LYS . . . . . 0.451 ' HD2' ' N ' ' A' ' 806' ' ' LYS . 7.8 mptt -121.89 142.91 37.3 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.604 0.716 . . . . 0.0 110.901 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 807' ' ' PRO . . . . . 0.534 ' HG2' ' CD2' ' A' ' 808' ' ' TYR . 53.8 Cg_endo -69.81 -50.17 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.666 2.244 . . . . 0.0 112.337 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 808' ' ' TYR . . . . . 0.593 ' HB3' HD22 ' A' ' 823' ' ' LEU . 13.4 m-85 -93.98 146.16 24.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.956 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 809' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -151.23 110.74 3.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 810' ' ' CYS . . . . . 0.514 ' HA ' HD11 ' A' ' 823' ' ' LEU . 15.0 t -39.02 159.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -109.9 -32.46 7.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 812' ' ' GLU . . . . . 0.484 ' HB2' ' CD2' ' A' ' 830' ' ' HIS . 2.0 mp0 -63.59 -46.3 86.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 12.1 p -114.36 -48.82 2.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 121.25 12.9 5.54 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.47 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . 0.522 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 31.0 mmtt -52.65 167.9 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.783 0.325 . . . . 0.0 110.91 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 816' ' ' ALA . . . . . . . . . . . . . . . -133.19 130.61 39.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.098 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 817' ' ' PHE . . . . . 0.402 ' CD1' ' N ' ' A' ' 817' ' ' PHE . 2.8 m-85 -134.36 134.03 41.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 23.9 pt -65.68 -23.75 33.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.137 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 13.4 m0 -115.98 156.47 26.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 820' ' ' LYS . . . . . 0.536 ' HD3' ' CE1' ' A' ' 808' ' ' TYR . 17.8 tptm -72.33 -56.73 5.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 821' ' ' SER . . . . . 0.698 ' HA ' HD12 ' A' ' 824' ' ' ILE . 1.9 m -40.24 -54.38 2.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 70.0 mt -45.93 -41.99 12.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.944 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 823' ' ' LEU . . . . . 0.593 HD22 ' HB3' ' A' ' 808' ' ' TYR . 44.4 tp -67.33 -35.18 78.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.972 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 824' ' ' ILE . . . . . 0.698 HD12 ' HA ' ' A' ' 821' ' ' SER . 39.5 mt -68.8 -53.75 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 825' ' ' VAL . . . . . 0.509 ' O ' HG12 ' A' ' 825' ' ' VAL . 91.3 t -64.49 -8.51 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 826' ' ' HIS . . . . . 0.522 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 13.4 t60 -95.68 -56.38 2.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -40.92 -40.48 1.39 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 31.9 ptt180 -47.58 -44.19 26.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 829' ' ' THR . . . . . . . . . . . . . 62.5 p -41.27 -47.43 3.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.154 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 830' ' ' HIS . . . . . 0.484 ' CD2' ' HB2' ' A' ' 812' ' ' GLU . 99.3 m-70 -58.37 -46.09 87.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.812 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -38.61 -44.88 1.02 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.098 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 832' ' ' GLY . . . . . . . . . . . . . . . -61.0 141.96 48.38 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.483 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 833' ' ' VAL . . . . . 0.519 HG13 ' O ' ' A' ' 833' ' ' VAL . 12.3 p -86.49 119.18 34.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.827 0.346 . . . . 0.0 111.118 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 26.9 t -109.68 41.45 1.68 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.796 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 835' ' ' GLY . . . . . . . . . . . . . . . -177.58 166.77 37.36 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.443 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 836' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -49.49 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.639 2.226 . . . . 0.0 112.322 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 837' ' ' SER . . . . . . . . . . . . . 50.1 m -113.8 -45.92 3.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.856 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 838' ' ' SER . . . . . . . . . . . . . 34.7 t -59.44 135.26 57.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.847 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 839' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.461 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 56.0 p -58.12 -45.13 87.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.911 0.386 . . . . 0.0 110.894 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 798' ' ' SER . . . . . . . . . . . . . 3.1 m -55.82 95.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.847 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . -140.12 42.28 1.23 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.496 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 30.6 p -57.14 -54.96 40.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.867 0.365 . . . . 0.0 110.848 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 801' ' ' SER . . . . . . . . . . . . . 8.5 t -122.63 169.28 11.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 802' ' ' GLY . . . . . . . . . . . . . . . -56.0 -102.37 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.468 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 52.0 p -68.05 -44.25 76.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.847 0.355 . . . . 0.0 110.826 -179.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 67.16 -115.31 7.06 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.499 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 39.08 50.51 1.82 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.873 0.368 . . . . 0.0 110.938 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 806' ' ' LYS . . . . . 0.488 ' HB2' ' HB1' ' A' ' 816' ' ' ALA . 0.2 OUTLIER -44.4 143.26 2.06 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.57 0.7 . . . . 0.0 110.891 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 807' ' ' PRO . . . . . 0.569 ' HG2' ' CD1' ' A' ' 808' ' ' TYR . 53.6 Cg_endo -69.72 -43.32 2.76 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.689 2.259 . . . . 0.0 112.345 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 808' ' ' TYR . . . . . 0.569 ' CD1' ' HG2' ' A' ' 807' ' ' PRO . 43.2 m-85 -83.64 128.19 34.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.936 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 809' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -136.69 114.43 11.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 810' ' ' CYS . . . . . 0.578 ' HA ' HD11 ' A' ' 823' ' ' LEU . 8.3 t -41.9 153.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 -101.53 -33.67 9.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -63.04 -62.29 1.81 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 20.2 p -97.74 -48.51 5.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 121.26 14.41 4.98 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.457 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.55 175.81 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.803 0.335 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 816' ' ' ALA . . . . . 0.488 ' HB1' ' HB2' ' A' ' 806' ' ' LYS . . . -136.64 141.41 43.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.099 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -145.45 140.62 27.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 818' ' ' ILE . . . . . 0.481 HG22 ' HG3' ' A' ' 806' ' ' LYS . 13.2 pt -74.12 -24.78 19.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.157 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 819' ' ' TRP . . . . . 0.436 ' HB2' ' CD1' ' A' ' 822' ' ' LEU . 9.1 m0 -113.92 146.46 40.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 820' ' ' LYS . . . . . 0.551 ' HD3' ' CE2' ' A' ' 808' ' ' TYR . 38.1 tptt -64.73 -58.82 5.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 821' ' ' SER . . . . . 0.718 ' HA ' HD12 ' A' ' 824' ' ' ILE . 19.9 m -41.24 -49.2 3.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 822' ' ' LEU . . . . . 0.436 ' CD1' ' HB2' ' A' ' 819' ' ' TRP . 93.6 mt -50.26 -40.75 48.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.935 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 823' ' ' LEU . . . . . 0.578 HD11 ' HA ' ' A' ' 810' ' ' CYS . 16.0 tp -67.25 -35.87 80.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.939 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 824' ' ' ILE . . . . . 0.718 HD12 ' HA ' ' A' ' 821' ' ' SER . 61.1 mt -63.54 -63.24 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 825' ' ' VAL . . . . . 0.473 ' HA ' ' NE ' ' A' ' 828' ' ' ARG . 97.6 t -52.39 -16.11 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.142 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 826' ' ' HIS . . . . . 0.475 ' O ' HG23 ' A' ' 829' ' ' THR . 35.3 t60 -90.02 -60.23 1.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 827' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 826' ' ' HIS . 26.4 mt-10 -37.98 -46.17 0.96 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . 0.473 ' NE ' ' HA ' ' A' ' 825' ' ' VAL . 10.2 ptp180 -49.62 -44.05 47.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 829' ' ' THR . . . . . 0.475 HG23 ' O ' ' A' ' 826' ' ' HIS . 55.8 p -39.07 -35.52 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 830' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -78.85 47.23 0.74 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -136.49 145.39 45.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 832' ' ' GLY . . . . . . . . . . . . . . . 110.07 -41.12 2.32 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.471 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 833' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 834' ' ' SER . 98.8 t -45.74 112.69 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.797 0.332 . . . . 0.0 111.153 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 833' ' ' VAL . 32.7 t -34.68 -67.67 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 835' ' ' GLY . . . . . . . . . . . . . . . 177.25 146.23 6.11 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.505 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 836' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 837' ' ' SER . 53.3 Cg_endo -69.79 0.36 5.78 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.653 2.235 . . . . 0.0 112.344 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 837' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 836' ' ' PRO . 4.0 m -34.7 -66.19 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 838' ' ' SER . . . . . . . . . . . . . 29.5 p -48.26 137.25 11.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.843 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 839' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.474 -179.996 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 32.3 t -74.44 124.45 26.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.899 0.38 . . . . 0.0 110.857 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 798' ' ' SER . . . . . . . . . . . . . 97.2 p -41.55 -47.35 3.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.844 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . -177.07 159.24 25.48 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.441 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 43.4 m -75.56 166.91 22.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.906 0.384 . . . . 0.0 110.826 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 801' ' ' SER . . . . . . . . . . . . . 75.1 m -76.69 84.78 3.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.873 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 802' ' ' GLY . . . . . . . . . . . . . . . -111.88 141.42 16.65 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.456 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 88.0 p -92.74 42.53 1.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.94 0.4 . . . . 0.0 110.858 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 149.24 176.22 22.31 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.521 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -75.04 160.72 30.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.964 0.412 . . . . 0.0 110.865 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 806' ' ' LYS . . . . . 0.586 ' HD3' ' HB1' ' A' ' 816' ' ' ALA . 10.8 mptt -104.7 143.23 26.28 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.561 0.695 . . . . 0.0 110.914 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 807' ' ' PRO . . . . . 0.543 ' HG2' ' CD2' ' A' ' 808' ' ' TYR . 53.1 Cg_endo -69.77 -14.56 36.23 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.676 2.251 . . . . 0.0 112.324 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 808' ' ' TYR . . . . . 0.543 ' CD2' ' HG2' ' A' ' 807' ' ' PRO . 37.2 m-85 -120.55 123.65 43.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 809' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -132.6 113.29 12.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 810' ' ' CYS . . . . . . . . . . . . . 49.3 t -41.36 156.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -106.31 -33.6 7.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 812' ' ' GLU . . . . . 0.583 ' HB3' ' CE1' ' A' ' 830' ' ' HIS . 16.5 mm-40 -59.54 -51.99 67.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 16.7 p -113.0 -48.22 2.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 126.38 9.05 4.68 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.507 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . 0.563 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 19.2 mmtm -50.21 171.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.787 0.327 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 816' ' ' ALA . . . . . 0.586 ' HB1' ' HD3' ' A' ' 806' ' ' LYS . . . -132.1 152.76 51.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.079 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 817' ' ' PHE . . . . . 0.459 ' CG ' ' C ' ' A' ' 816' ' ' ALA . 3.7 m-85 -158.96 130.73 6.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 15.6 pt -71.27 -19.29 20.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.079 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 819' ' ' TRP . . . . . 0.48 ' HB2' ' CD1' ' A' ' 822' ' ' LEU . 8.6 m0 -117.65 133.57 55.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -55.06 -56.32 21.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 821' ' ' SER . . . . . 0.932 ' HA ' HD12 ' A' ' 824' ' ' ILE . 55.8 p -40.37 -47.62 2.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 822' ' ' LEU . . . . . 0.48 ' CD1' ' HB2' ' A' ' 819' ' ' TRP . 65.6 mt -54.21 -43.33 70.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 15.7 tp -61.97 -35.15 77.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 824' ' ' ILE . . . . . 0.932 HD12 ' HA ' ' A' ' 821' ' ' SER . 20.0 mt -66.23 -63.64 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.098 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 825' ' ' VAL . . . . . 0.448 ' C ' ' HG2' ' A' ' 828' ' ' ARG . 11.1 t -49.0 -20.14 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 826' ' ' HIS . . . . . 0.563 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 47.1 t60 -89.29 -61.68 1.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -45.12 -21.57 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . 0.459 ' HG3' ' N ' ' A' ' 829' ' ' THR . 2.4 ptp180 -81.75 -35.95 29.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 829' ' ' THR . . . . . 0.481 HG22 ' O ' ' A' ' 826' ' ' HIS . 1.1 t -56.37 -34.54 66.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.177 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 830' ' ' HIS . . . . . 0.583 ' CE1' ' HB3' ' A' ' 812' ' ' GLU . 25.0 m-70 -49.91 -43.24 49.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -54.13 117.39 3.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 832' ' ' GLY . . . . . . . . . . . . . . . 159.79 57.95 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.51 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 833' ' ' VAL . . . . . 0.43 HG23 ' N ' ' A' ' 834' ' ' SER . 30.3 m -39.37 -41.98 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.826 0.346 . . . . 0.0 111.139 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . 0.43 ' N ' HG23 ' A' ' 833' ' ' VAL . 22.4 m 51.95 43.3 30.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.833 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 835' ' ' GLY . . . . . . . . . . . . . . . -145.32 153.3 25.18 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 836' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 115.36 4.06 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.732 2.288 . . . . 0.0 112.342 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 837' ' ' SER . . . . . . . . . . . . . 87.6 p -47.81 141.26 5.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.83 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 838' ' ' SER . . . . . . . . . . . . . 52.2 p -85.31 127.51 34.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 839' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.467 179.99 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 77.4 p -145.31 125.72 13.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.895 0.379 . . . . 0.0 110.844 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 798' ' ' SER . . . . . . . . . . . . . 1.1 t -158.26 141.14 14.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.873 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . 159.41 -124.0 1.3 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.464 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 87.6 p 45.06 41.62 5.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.871 0.367 . . . . 0.0 110.836 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 801' ' ' SER . . . . . . . . . . . . . 68.8 m -69.99 93.02 0.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 802' ' ' GLY . . . . . . . . . . . . . . . 57.56 81.55 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.517 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 34.7 p -38.43 -48.81 1.41 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.869 0.366 . . . . 0.0 110.847 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . -177.46 88.96 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.476 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -100.65 4.7 43.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.932 0.396 . . . . 0.0 110.914 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 806' ' ' LYS . . . . . 0.446 ' HB2' ' HB1' ' A' ' 816' ' ' ALA . 1.8 mppt? -70.01 141.16 89.03 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.621 0.724 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 807' ' ' PRO . . . . . 0.562 ' HG2' ' CD2' ' A' ' 808' ' ' TYR . 53.8 Cg_endo -69.77 -44.18 2.22 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.7 2.267 . . . . 0.0 112.348 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 808' ' ' TYR . . . . . 0.562 ' CD2' ' HG2' ' A' ' 807' ' ' PRO . 21.1 m-85 -95.68 142.04 28.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.907 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 809' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -148.9 114.51 5.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 810' ' ' CYS . . . . . 0.554 ' HA ' HD11 ' A' ' 823' ' ' LEU . 15.9 t -45.14 156.37 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.932 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -104.77 -34.4 8.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.68 -51.16 70.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 13.1 p -110.72 -49.47 3.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 121.74 16.31 4.15 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.458 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . 0.499 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 5.8 mmpt? -55.63 173.85 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 110.906 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 816' ' ' ALA . . . . . 0.446 ' HB1' ' HB2' ' A' ' 806' ' ' LYS . . . -133.1 143.52 49.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.102 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -146.6 137.51 24.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 10.3 pt -71.91 -21.35 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.107 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 9.2 m0 -118.25 160.34 21.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.953 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 820' ' ' LYS . . . . . 0.509 ' HD3' ' CE1' ' A' ' 808' ' ' TYR . 19.3 tptm -73.77 -56.15 5.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 821' ' ' SER . . . . . . . . . . . . . 30.4 p -41.92 -51.52 4.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 60.5 mt -47.26 -35.86 8.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.95 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 823' ' ' LEU . . . . . 0.554 HD11 ' HA ' ' A' ' 810' ' ' CYS . 13.1 tp -76.12 -34.51 59.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 824' ' ' ILE . . . . . . . . . . . . . 83.1 mt -68.12 -51.56 47.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 825' ' ' VAL . . . . . . . . . . . . . 4.6 t -66.96 -11.27 13.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.141 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 826' ' ' HIS . . . . . 0.973 ' O ' HG22 ' A' ' 829' ' ' THR . 30.2 t60 -94.9 -57.86 2.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -42.41 -26.77 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . 0.444 ' HG3' ' N ' ' A' ' 829' ' ' THR . 11.3 ptm180 -83.58 -34.65 25.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 829' ' ' THR . . . . . 0.973 HG22 ' O ' ' A' ' 826' ' ' HIS . 6.1 t -51.26 -17.95 0.83 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 830' ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -71.37 -43.87 66.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -47.14 -53.59 12.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 832' ' ' GLY . . . . . . . . . . . . . . . -79.16 -106.79 0.22 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.503 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 31.9 m -144.81 164.51 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.88 0.371 . . . . 0.0 111.099 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 34.9 t -122.09 -49.6 2.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 835' ' ' GLY . . . . . . . . . . . . . . . -146.32 169.51 27.59 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.466 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 836' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 167.81 23.34 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.711 2.274 . . . . 0.0 112.336 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 837' ' ' SER . . . . . . . . . . . . . 53.9 p -47.45 149.2 1.16 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 838' ' ' SER . . . . . . . . . . . . . 4.0 t -74.21 -54.35 7.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 839' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.466 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.433 -0.267 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 64.7 p -67.55 149.04 50.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.862 0.363 . . . . 0.0 110.863 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 798' ' ' SER . . . . . . . . . . . . . 93.6 p -60.02 168.28 1.94 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.851 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . 91.96 42.36 4.72 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.522 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 78.4 p 42.36 42.5 2.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.89 0.376 . . . . 0.0 110.861 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 801' ' ' SER . . . . . . . . . . . . . 53.6 p -51.73 149.63 4.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 802' ' ' GLY . . . . . . . . . . . . . . . 174.22 99.67 0.12 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.492 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 20.0 t -56.63 164.15 1.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.857 0.361 . . . . 0.0 110.879 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . -45.36 146.35 2.29 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.502 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 21.7 mp0 -77.9 130.42 36.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.94 0.4 . . . . 0.0 110.884 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 806' ' ' LYS . . . . . 0.799 ' HG3' ' HB1' ' A' ' 816' ' ' ALA . 30.3 mmtm -64.52 140.98 98.14 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.549 0.69 . . . . 0.0 110.908 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 807' ' ' PRO . . . . . 0.503 ' HG2' ' CD2' ' A' ' 808' ' ' TYR . 53.4 Cg_endo -69.78 -30.97 21.34 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.657 2.238 . . . . 0.0 112.291 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 808' ' ' TYR . . . . . 0.567 ' HB3' HD22 ' A' ' 823' ' ' LEU . 32.5 m-85 -115.67 130.58 56.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 809' ' ' GLU . . . . . 0.477 ' CG ' ' O ' ' A' ' 815' ' ' LYS . 12.0 tt0 -138.57 108.85 6.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 810' ' ' CYS . . . . . . . . . . . . . 13.4 t -39.04 151.95 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.927 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -100.21 -32.29 10.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 812' ' ' GLU . . . . . 0.48 ' HG2' ' CG ' ' A' ' 830' ' ' HIS . 12.7 tp10 -61.85 -59.35 5.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 10.4 p -100.47 -50.86 3.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 121.5 18.5 3.67 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . 0.547 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 18.2 mmtp -57.44 174.9 0.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.827 0.346 . . . . 0.0 110.91 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 816' ' ' ALA . . . . . 0.799 ' HB1' ' HG3' ' A' ' 806' ' ' LYS . . . -140.04 138.1 35.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.115 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -148.51 142.2 25.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 818' ' ' ILE . . . . . 0.554 HG23 ' HE3' ' A' ' 806' ' ' LYS . 27.9 pt -73.75 -35.41 43.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.09 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 819' ' ' TRP . . . . . 0.471 ' N ' HG13 ' A' ' 818' ' ' ILE . 9.7 m0 -102.49 135.74 43.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 820' ' ' LYS . . . . . 0.423 ' HB2' ' CZ ' ' A' ' 808' ' ' TYR . 15.8 tptm -56.57 -55.98 27.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.874 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 821' ' ' SER . . . . . 0.604 ' HA ' HD12 ' A' ' 824' ' ' ILE . 44.9 p -38.5 -53.43 1.56 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.86 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 56.2 mt -47.2 -43.82 21.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.938 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 823' ' ' LEU . . . . . 0.567 HD22 ' HB3' ' A' ' 808' ' ' TYR . 17.0 tp -65.07 -37.16 86.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 824' ' ' ILE . . . . . 0.604 HD12 ' HA ' ' A' ' 821' ' ' SER . 66.9 mt -64.27 -59.05 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.125 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 825' ' ' VAL . . . . . 0.477 ' O ' HG12 ' A' ' 825' ' ' VAL . 92.4 t -58.38 -11.53 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.124 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 826' ' ' HIS . . . . . 0.547 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 10.4 t60 -92.42 -60.28 1.87 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.825 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -41.15 -44.21 2.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.882 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . 0.422 ' HG3' ' N ' ' A' ' 829' ' ' THR . 6.3 ptm180 -45.39 -41.67 9.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 829' ' ' THR . . . . . 0.422 ' N ' ' HG3' ' A' ' 828' ' ' ARG . 78.6 p -43.5 -50.5 7.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 830' ' ' HIS . . . . . 0.48 ' CG ' ' HG2' ' A' ' 812' ' ' GLU . 95.1 m-70 -52.51 -47.61 66.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -43.29 114.45 0.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 832' ' ' GLY . . . . . . . . . . . . . . . 156.92 157.04 8.15 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.462 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 33.8 m -121.35 40.58 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.866 0.365 . . . . 0.0 111.145 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 6.9 t -142.81 142.59 31.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 835' ' ' GLY . . . . . . . . . . . . . . . -136.69 -176.87 14.6 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.486 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 836' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 160.1 50.97 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.709 2.272 . . . . 0.0 112.385 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 837' ' ' SER . . . . . . . . . . . . . 33.5 t -55.17 134.6 49.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.849 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 838' ' ' SER . . . . . . . . . . . . . 61.0 p -113.09 42.26 1.94 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 839' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.515 -179.993 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 98.7 p -87.65 153.47 21.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.881 0.372 . . . . 0.0 110.844 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 798' ' ' SER . . . . . . . . . . . . . 10.4 t -120.47 86.1 2.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . -154.63 40.71 0.63 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.447 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 800' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 801' ' ' SER . 2.6 t -61.93 135.65 57.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.853 0.358 . . . . 0.0 110.879 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 801' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 800' ' ' SER . 8.8 t -36.59 151.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 802' ' ' GLY . . . . . . . . . . . . . . . 174.88 -47.44 0.13 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.486 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 3.5 m -121.96 107.36 12.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 0.0 110.876 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 135.52 49.43 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.426 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 805' ' ' GLU . . . . . 0.4 ' OE2' ' O ' ' A' ' 806' ' ' LYS . 1.9 tm-20 -110.3 113.53 26.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.902 0.382 . . . . 0.0 110.911 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 806' ' ' LYS . . . . . 0.542 ' HB2' ' HB1' ' A' ' 816' ' ' ALA . 40.9 mmtm -87.95 142.09 31.93 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.589 0.709 . . . . 0.0 110.896 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 807' ' ' PRO . . . . . 0.566 ' HG2' ' CD2' ' A' ' 808' ' ' TYR . 53.6 Cg_endo -69.74 -24.02 30.24 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.683 2.255 . . . . 0.0 112.335 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 808' ' ' TYR . . . . . 0.57 ' CE1' ' HB2' ' A' ' 820' ' ' LYS . 44.0 m-85 -114.39 130.61 56.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 809' ' ' GLU . . . . . 0.439 ' CG ' ' O ' ' A' ' 815' ' ' LYS . 18.1 tt0 -137.83 119.28 14.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.857 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 810' ' ' CYS . . . . . 0.552 ' HA ' HD11 ' A' ' 823' ' ' LEU . 38.2 t -51.02 156.81 0.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -101.47 -33.8 9.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -62.75 -60.83 2.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 12.4 p -98.87 -50.43 4.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 122.06 13.0 5.1 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.503 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . 0.579 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 31.5 mmtt -50.24 176.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.331 . . . . 0.0 110.897 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 816' ' ' ALA . . . . . 0.542 ' HB1' ' HB2' ' A' ' 806' ' ' LYS . . . -144.51 129.01 18.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.135 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -136.54 149.89 48.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 20.4 pt -78.73 -27.99 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 12.5 m0 -111.44 131.88 54.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 820' ' ' LYS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 808' ' ' TYR . 23.0 tptm -53.11 -47.43 68.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.901 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 821' ' ' SER . . . . . 0.49 ' HA ' HD12 ' A' ' 824' ' ' ILE . 90.6 p -46.36 -53.04 11.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.893 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 69.6 mt -48.51 -39.57 23.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.961 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 823' ' ' LEU . . . . . 0.552 HD11 ' HA ' ' A' ' 810' ' ' CYS . 13.5 tp -70.11 -33.41 71.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 824' ' ' ILE . . . . . 0.49 HD12 ' HA ' ' A' ' 821' ' ' SER . 77.8 mt -67.81 -57.39 9.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 825' ' ' VAL . . . . . 0.487 ' O ' HG12 ' A' ' 825' ' ' VAL . 59.7 t -61.46 -10.07 3.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 826' ' ' HIS . . . . . 0.886 ' O ' HG22 ' A' ' 829' ' ' THR . 6.4 t60 -96.3 -56.14 2.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.811 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -39.95 -35.64 0.38 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 830' ' ' HIS . 17.7 ptt180 -58.82 -43.72 90.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 829' ' ' THR . . . . . 0.886 HG22 ' O ' ' A' ' 826' ' ' HIS . 13.6 t -40.83 -26.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.135 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 830' ' ' HIS . . . . . 0.436 ' N ' ' O ' ' A' ' 828' ' ' ARG . 99.0 m-70 -81.57 41.44 0.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -129.6 102.99 6.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.1 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 832' ' ' GLY . . . . . . . . . . . . . . . 154.52 -179.62 30.51 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.491 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 5.3 m -69.3 132.76 32.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.352 . . . . 0.0 111.1 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 2.4 t -164.91 120.81 1.42 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 835' ' ' GLY . . . . . . . . . . . . . . . -57.69 -174.12 0.35 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.498 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 836' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 146.19 59.18 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.69 2.26 . . . . 0.0 112.337 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 837' ' ' SER . . . . . . . . . . . . . 32.7 p -141.82 173.74 11.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 838' ' ' SER . . . . . . . . . . . . . 25.3 m -150.36 145.62 26.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.847 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 839' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.454 179.988 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 44.7 t -153.31 109.58 3.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.909 0.385 . . . . 0.0 110.888 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 798' ' ' SER . . . . . . . . . . . . . 3.8 t -51.07 -58.39 6.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.858 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . 81.35 67.29 1.54 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.491 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 25.5 p -108.1 175.44 5.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.908 0.385 . . . . 0.0 110.827 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 801' ' ' SER . . . . . . . . . . . . . 44.5 m -108.16 80.99 1.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 802' ' ' GLY . . . . . . . . . . . . . . . 68.33 163.26 2.61 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.512 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 36.0 m -155.46 110.23 2.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.911 0.386 . . . . 0.0 110.797 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . -60.66 149.37 43.73 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.521 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -79.57 136.49 36.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.881 0.372 . . . . 0.0 110.952 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 806' ' ' LYS . . . . . 0.622 ' HE2' ' HB1' ' A' ' 816' ' ' ALA . 2.6 mppt? -79.09 142.55 59.74 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.602 0.715 . . . . 0.0 110.911 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 807' ' ' PRO . . . . . 0.574 ' HG2' ' CD2' ' A' ' 808' ' ' TYR . 53.9 Cg_endo -69.73 -28.69 25.09 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.71 2.274 . . . . 0.0 112.319 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 808' ' ' TYR . . . . . 0.618 ' HB3' HD22 ' A' ' 823' ' ' LEU . 14.2 m-85 -114.75 137.67 51.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 809' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 810' ' ' CYS . 15.0 tt0 -145.73 107.99 4.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.873 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 810' ' ' CYS . . . . . 0.626 ' HA ' HD11 ' A' ' 823' ' ' LEU . 17.6 t -35.79 153.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -104.42 -33.04 8.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 812' ' ' GLU . . . . . 0.549 ' HB2' ' CD2' ' A' ' 830' ' ' HIS . 21.4 mm-40 -60.45 -50.82 72.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.961 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 19.5 p -111.32 -49.05 3.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 122.91 13.3 4.57 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.498 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . 0.543 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 22.1 mmmt -53.78 174.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.796 0.331 . . . . 0.0 110.887 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 816' ' ' ALA . . . . . 0.622 ' HB1' ' HE2' ' A' ' 806' ' ' LYS . . . -136.38 140.05 42.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.115 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -147.92 123.43 10.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 18.5 pt -56.97 -27.24 26.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 11.3 m0 -109.68 157.31 19.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 820' ' ' LYS . . . . . 0.479 ' HE2' ' CE1' ' A' ' 808' ' ' TYR . 13.5 tppt? -76.01 -50.32 15.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 821' ' ' SER . . . . . 0.44 ' HA ' HD12 ' A' ' 824' ' ' ILE . 38.9 m -44.91 -54.3 6.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 40.4 mt -48.73 -37.59 19.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 823' ' ' LEU . . . . . 0.626 HD11 ' HA ' ' A' ' 810' ' ' CYS . 13.9 tp -72.3 -32.59 66.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 824' ' ' ILE . . . . . 0.44 HD12 ' HA ' ' A' ' 821' ' ' SER . 92.1 mt -68.37 -58.05 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 825' ' ' VAL . . . . . 0.417 HG23 ' H ' ' A' ' 825' ' ' VAL . 3.7 t -60.56 -10.31 2.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 826' ' ' HIS . . . . . 0.81 ' O ' HG22 ' A' ' 829' ' ' THR . 27.4 t60 -96.61 -58.83 1.95 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -40.72 -37.79 0.81 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . 0.473 ' HG3' ' N ' ' A' ' 829' ' ' THR . 8.2 ptm180 -58.54 -42.03 86.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 829' ' ' THR . . . . . 0.81 HG22 ' O ' ' A' ' 826' ' ' HIS . 5.6 t -44.28 -23.58 0.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.164 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 830' ' ' HIS . . . . . 0.549 ' CD2' ' HB2' ' A' ' 812' ' ' GLU . 97.9 m-70 -85.11 39.09 0.75 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -133.95 93.55 3.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.092 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 832' ' ' GLY . . . . . . . . . . . . . . . 106.43 132.52 7.14 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.534 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 96.2 t -85.37 100.35 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.818 0.342 . . . . 0.0 111.171 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 8.4 t -130.15 175.98 8.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 835' ' ' GLY . . . . . . . . . . . . . . . 62.63 146.39 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 836' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 117.9 5.36 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.728 2.286 . . . . 0.0 112.351 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 837' ' ' SER . . . . . . . . . . . . . 45.4 m -138.36 136.09 35.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 838' ' ' SER . . . . . . . . . . . . . 15.0 t -40.7 -49.98 3.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 839' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.458 179.95 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 41.9 p -132.16 148.8 52.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.901 0.381 . . . . 0.0 110.832 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 798' ' ' SER . . . . . . . . . . . . . 49.1 m -75.19 -46.66 32.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.861 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . -139.8 126.51 3.29 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.456 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 3.1 m -59.21 -50.7 73.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.874 0.369 . . . . 0.0 110.879 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 801' ' ' SER . . . . . . . . . . . . . 1.9 t -133.41 101.49 5.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 802' ' ' GLY . . . . . . . . . . . . . . . 137.62 146.63 5.11 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.544 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 45.3 t -89.27 -60.39 1.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.898 0.38 . . . . 0.0 110.853 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 126.19 39.06 0.43 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.494 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -127.57 33.82 4.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.881 0.372 . . . . 0.0 110.866 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 806' ' ' LYS . . . . . 0.774 ' HD3' ' HB1' ' A' ' 816' ' ' ALA . 2.6 mptp? -128.13 143.28 47.37 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.533 0.683 . . . . 0.0 110.924 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 807' ' ' PRO . . . . . 0.533 ' HG2' ' CD2' ' A' ' 808' ' ' TYR . 54.1 Cg_endo -69.71 -22.37 32.4 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.692 2.261 . . . . 0.0 112.387 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 808' ' ' TYR . . . . . 0.561 ' CE1' ' HB2' ' A' ' 820' ' ' LYS . 18.9 m-85 -126.01 146.67 49.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.97 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 809' ' ' GLU . . . . . 0.472 ' CG ' ' O ' ' A' ' 815' ' ' LYS . 12.5 tt0 -152.78 118.19 5.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 810' ' ' CYS . . . . . 0.677 ' HA ' HD11 ' A' ' 823' ' ' LEU . 13.9 t -44.52 155.34 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -102.49 -36.92 8.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -60.68 -61.57 2.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 20.9 p -96.84 -48.21 5.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 119.64 14.93 5.54 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.475 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . 0.537 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 1.8 mmpt? -50.89 166.21 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.827 0.346 . . . . 0.0 110.875 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 816' ' ' ALA . . . . . 0.774 ' HB1' ' HD3' ' A' ' 806' ' ' LYS . . . -128.83 124.63 35.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.073 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -128.54 149.06 50.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 818' ' ' ILE . . . . . 0.413 HG13 ' N ' ' A' ' 819' ' ' TRP . 41.4 pt -79.35 -33.43 15.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.139 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 819' ' ' TRP . . . . . 0.413 ' N ' HG13 ' A' ' 818' ' ' ILE . 17.6 m0 -111.07 147.45 34.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 820' ' ' LYS . . . . . 0.561 ' HB2' ' CE1' ' A' ' 808' ' ' TYR . 32.1 tptt -60.15 -62.19 2.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 821' ' ' SER . . . . . 0.531 ' HA ' HD12 ' A' ' 824' ' ' ILE . 90.8 p -35.3 -53.48 0.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 78.1 mt -45.77 -43.94 13.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 823' ' ' LEU . . . . . 0.677 HD11 ' HA ' ' A' ' 810' ' ' CYS . 16.5 tp -65.25 -35.31 80.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 824' ' ' ILE . . . . . 0.531 HD12 ' HA ' ' A' ' 821' ' ' SER . 83.9 mt -65.86 -59.12 4.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 825' ' ' VAL . . . . . . . . . . . . . 20.6 t -57.61 -12.03 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 826' ' ' HIS . . . . . 0.838 ' O ' HG22 ' A' ' 829' ' ' THR . 26.0 t60 -94.58 -58.46 2.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -38.87 -39.32 0.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . 0.425 ' NH1' ' HB2' ' A' ' 828' ' ' ARG . 1.0 OUTLIER -56.97 -43.71 81.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 829' ' ' THR . . . . . 0.838 HG22 ' O ' ' A' ' 826' ' ' HIS . 6.3 t -43.83 -23.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 830' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -79.72 -41.6 26.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -44.58 100.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.048 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 832' ' ' GLY . . . . . . . . . . . . . . . -148.47 -61.14 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.461 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 85.2 t -37.26 137.36 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.86 0.362 . . . . 0.0 111.101 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 1.1 t -90.76 81.4 5.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 835' ' ' GLY . . . . . . . . . . . . . . . -64.59 -90.62 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.488 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 836' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 121.2 7.9 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.681 2.254 . . . . 0.0 112.348 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 837' ' ' SER . . . . . . . . . . . . . 35.4 m -70.17 -45.64 66.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 838' ' ' SER . . . . . . . . . . . . . 54.0 p -85.23 128.04 34.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 839' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.496 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 68.9 m -140.93 124.86 17.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.889 0.376 . . . . 0.0 110.852 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 798' ' ' SER . . . . . . . . . . . . . 16.2 m -116.25 141.64 47.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.846 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . -132.01 114.41 1.48 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.497 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 52.5 m -91.62 -60.01 1.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.862 0.363 . . . . 0.0 110.839 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 801' ' ' SER . . . . . . . . . . . . . 51.9 p 39.5 42.22 0.85 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 802' ' ' GLY . . . . . . . . . . . . . . . 101.25 98.09 2.32 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.469 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 1.1 t -55.16 165.46 0.7 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.906 0.384 . . . . 0.0 110.901 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 55.86 -179.01 0.45 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.472 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -125.92 144.96 50.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.944 0.402 . . . . 0.0 110.839 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 806' ' ' LYS . . . . . 0.595 ' CD ' ' HB1' ' A' ' 816' ' ' ALA . 19.1 mttp -103.44 142.77 25.27 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.603 0.716 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 807' ' ' PRO . . . . . 0.582 ' HG2' ' CD2' ' A' ' 808' ' ' TYR . 53.7 Cg_endo -69.76 -39.76 6.12 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.704 2.269 . . . . 0.0 112.362 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 808' ' ' TYR . . . . . 0.582 ' CD2' ' HG2' ' A' ' 807' ' ' PRO . 26.3 m-85 -94.64 142.83 26.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 809' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' A' ' 815' ' ' LYS . 15.8 tt0 -154.75 107.5 2.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 810' ' ' CYS . . . . . 0.446 ' C ' ' O ' ' A' ' 809' ' ' GLU . 8.0 t -34.37 151.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -104.74 -27.99 11.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 812' ' ' GLU . . . . . 0.516 ' HG2' ' CG ' ' A' ' 830' ' ' HIS . 2.2 tp10 -68.58 -47.59 66.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 24.4 p -111.14 -45.6 3.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 117.22 14.48 7.05 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.49 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . 0.561 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 24.8 mmtt -55.93 176.39 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.784 0.326 . . . . 0.0 110.903 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 816' ' ' ALA . . . . . 0.595 ' HB1' ' CD ' ' A' ' 806' ' ' LYS . . . -134.31 152.31 51.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.097 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 817' ' ' PHE . . . . . 0.535 ' CD1' ' C ' ' A' ' 816' ' ' ALA . 6.3 m-85 -159.85 139.1 11.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.922 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 19.1 pt -74.64 -26.25 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.121 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 8.4 m0 -110.77 152.57 26.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 820' ' ' LYS . . . . . 0.511 ' HD3' ' CE1' ' A' ' 808' ' ' TYR . 55.1 tptt -70.91 -52.35 20.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 821' ' ' SER . . . . . . . . . . . . . 5.1 m -46.22 -52.17 12.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 77.1 mt -46.15 -38.9 8.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 823' ' ' LEU . . . . . 0.41 HD11 ' HA ' ' A' ' 810' ' ' CYS . 16.5 tp -71.46 -49.69 38.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 824' ' ' ILE . . . . . . . . . . . . . 85.9 mt -48.23 -59.17 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 825' ' ' VAL . . . . . . . . . . . . . 12.1 t -58.3 -19.85 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.085 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 826' ' ' HIS . . . . . 0.884 ' O ' HG22 ' A' ' 829' ' ' THR . 30.4 t60 -89.72 -27.78 19.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -74.24 -30.63 62.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 18.2 ptt180 -67.77 -34.64 77.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 829' ' ' THR . . . . . 0.884 HG22 ' O ' ' A' ' 826' ' ' HIS . 3.4 t -61.47 -17.72 55.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 830' ' ' HIS . . . . . 0.516 ' CG ' ' HG2' ' A' ' 812' ' ' GLU . 59.9 m-70 -84.87 34.42 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -118.73 -48.83 2.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.094 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 832' ' ' GLY . . . . . . . . . . . . . . . 74.44 153.82 3.42 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 833' ' ' VAL . . . . . 0.519 ' O ' HG23 ' A' ' 833' ' ' VAL . 22.5 m -60.83 112.18 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.867 0.365 . . . . 0.0 111.185 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 833' ' ' VAL . 22.7 t 34.02 41.95 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 835' ' ' GLY . . . . . . . . . . . . . . . -42.79 -69.55 0.61 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.462 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 836' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 112.66 3.13 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.66 2.24 . . . . 0.0 112.344 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 837' ' ' SER . . . . . . . . . . . . . 67.1 p -99.33 81.19 2.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 838' ' ' SER . . . . . . . . . . . . . 24.9 p -98.57 -43.87 6.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.806 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 839' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.497 -179.993 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 79.0 p -96.5 101.53 13.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.903 0.382 . . . . 0.0 110.87 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 798' ' ' SER . . . . . . . . . . . . . 71.7 m -136.86 177.19 8.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . 161.54 125.58 0.78 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.5 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 4.7 m -117.55 103.89 10.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.865 0.364 . . . . 0.0 110.842 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 801' ' ' SER . . . . . . . . . . . . . 93.9 p -131.75 132.15 43.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 802' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 803' ' ' SER . . . 103.32 -118.93 6.21 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.45 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 802' ' ' GLY . 3.6 m 37.67 42.12 0.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.941 0.4 . . . . 0.0 110.876 -179.714 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 167.19 93.02 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.502 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -78.97 144.02 35.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.939 0.4 . . . . 0.0 110.853 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 806' ' ' LYS . . . . . 0.569 ' HD3' ' HB1' ' A' ' 816' ' ' ALA . 1.7 mptp? -105.13 142.99 25.83 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.563 0.697 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 807' ' ' PRO . . . . . 0.406 ' HG2' ' CD2' ' A' ' 808' ' ' TYR . 54.2 Cg_endo -69.8 -15.2 36.82 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.708 2.272 . . . . 0.0 112.329 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 808' ' ' TYR . . . . . 0.531 ' HB3' HD22 ' A' ' 823' ' ' LEU . 48.9 m-85 -128.79 129.46 45.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 809' ' ' GLU . . . . . 0.422 ' CG ' ' O ' ' A' ' 815' ' ' LYS . 12.5 tt0 -138.01 111.2 7.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.939 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 810' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 809' ' ' GLU . 8.6 t -37.84 153.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -104.9 -32.39 8.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -62.56 -49.49 75.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 14.2 p -111.33 -49.54 3.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.864 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 120.84 16.66 4.42 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.438 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . 0.422 ' O ' ' CG ' ' A' ' 809' ' ' GLU . 4.2 mmpt? -56.51 175.7 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.804 0.335 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 816' ' ' ALA . . . . . 0.569 ' HB1' ' HD3' ' A' ' 806' ' ' LYS . . . -136.63 139.57 42.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.137 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -146.66 141.19 26.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.863 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 30.7 pt -76.31 -30.98 20.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.109 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 11.6 m0 -108.6 137.03 47.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 820' ' ' LYS . . . . . 0.502 ' HD3' ' CE1' ' A' ' 808' ' ' TYR . 56.1 tptt -58.79 -50.83 72.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 821' ' ' SER . . . . . 0.943 ' HA ' HD12 ' A' ' 824' ' ' ILE . 16.4 p -44.17 -42.26 6.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 72.3 mt -58.99 -42.21 89.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 823' ' ' LEU . . . . . 0.531 HD22 ' HB3' ' A' ' 808' ' ' TYR . 21.9 tp -63.3 -34.44 77.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.96 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 824' ' ' ILE . . . . . 0.943 HD12 ' HA ' ' A' ' 821' ' ' SER . 21.0 mt -65.5 -64.75 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.163 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 825' ' ' VAL . . . . . . . . . . . . . 16.9 t -50.36 -18.87 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 826' ' ' HIS . . . . . 0.887 ' O ' HG22 ' A' ' 829' ' ' THR . 39.2 t60 -88.32 -59.71 2.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 827' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 826' ' ' HIS . 32.2 mt-10 -36.04 -44.69 0.39 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . 0.414 ' C ' ' N ' ' A' ' 830' ' ' HIS . 4.4 ptp180 -58.5 -43.03 88.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 829' ' ' THR . . . . . 0.887 HG22 ' O ' ' A' ' 826' ' ' HIS . 4.6 t -43.45 -22.82 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 830' ' ' HIS . . . . . 0.414 ' N ' ' C ' ' A' ' 828' ' ' ARG . 95.2 m-70 -83.36 39.91 0.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -130.94 89.24 2.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 832' ' ' GLY . . . . . . . . . . . . . . . 115.71 85.86 1.26 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 91.8 t -140.91 126.05 18.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.87 0.367 . . . . 0.0 111.135 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 11.8 t -54.46 145.02 19.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.829 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 835' ' ' GLY . . . . . . . . . . . . . . . -162.46 -89.07 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.452 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 836' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 2.78 3.22 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.68 2.253 . . . . 0.0 112.35 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 837' ' ' SER . . . . . . . . . . . . . 7.9 t -91.34 164.62 13.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 838' ' ' SER . . . . . . . . . . . . . 43.6 m -55.57 99.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 839' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.474 -179.97 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 21.6 t -98.07 -46.46 5.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.853 0.359 . . . . 0.0 110.829 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 798' ' ' SER . . . . . . . . . . . . . 89.7 p -133.79 121.49 21.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . 179.15 106.05 0.2 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.473 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 38.7 t -72.23 -61.41 1.8 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.858 0.361 . . . . 0.0 110.878 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 801' ' ' SER . . . . . . . . . . . . . 1.4 t -44.07 137.35 3.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 802' ' ' GLY . . . . . . . . . . . . . . . 68.75 -179.04 23.37 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 35.5 t -99.98 159.62 14.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.9 0.381 . . . . 0.0 110.872 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . -114.17 -43.36 0.79 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.532 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -91.12 115.95 28.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.944 0.402 . . . . 0.0 110.867 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 806' ' ' LYS . . . . . 0.759 ' HB2' ' HB1' ' A' ' 816' ' ' ALA . 0.7 OUTLIER -114.0 136.67 22.17 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.621 0.724 . . . . 0.0 110.889 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 807' ' ' PRO . . . . . 0.517 ' HG2' ' CD2' ' A' ' 808' ' ' TYR . 54.1 Cg_endo -69.73 -27.1 27.02 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.675 2.25 . . . . 0.0 112.357 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 808' ' ' TYR . . . . . 0.517 ' CD2' ' HG2' ' A' ' 807' ' ' PRO . 52.9 m-85 -107.0 120.72 42.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 809' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -128.83 118.78 23.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 810' ' ' CYS . . . . . . . . . . . . . 34.1 t -48.53 154.76 0.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -101.57 -29.88 11.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.921 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 812' ' ' GLU . . . . . 0.523 ' HG2' ' CG ' ' A' ' 830' ' ' HIS . 7.9 tp10 -67.63 -61.13 2.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 20.9 p -98.46 -46.55 5.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 117.61 14.86 6.63 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.505 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . 0.522 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 45.6 mmtt -53.76 175.02 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.769 0.318 . . . . 0.0 110.941 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 816' ' ' ALA . . . . . 0.759 ' HB1' ' HB2' ' A' ' 806' ' ' LYS . . . -138.83 139.44 38.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.125 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -145.72 141.65 28.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 37.8 pt -71.63 -30.77 39.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.078 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 20.2 m0 -113.14 145.94 40.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.927 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 820' ' ' LYS . . . . . 0.473 ' HB2' ' CE1' ' A' ' 808' ' ' TYR . 10.6 tppt? -64.24 -48.35 76.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.867 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 821' ' ' SER . . . . . 0.548 ' HA ' HD12 ' A' ' 824' ' ' ILE . 96.1 p -45.98 -44.08 14.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.805 -179.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 54.0 mt -58.13 -35.64 71.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 823' ' ' LEU . . . . . . . . . . . . . 26.7 tp -72.1 -33.39 67.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.927 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 824' ' ' ILE . . . . . 0.548 HD12 ' HA ' ' A' ' 821' ' ' SER . 80.3 mt -64.9 -60.05 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 825' ' ' VAL . . . . . 0.479 ' O ' HG12 ' A' ' 825' ' ' VAL . 91.4 t -58.83 -11.0 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.088 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 826' ' ' HIS . . . . . 0.522 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 30.7 t60 -93.8 -55.63 3.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -41.01 -39.97 1.31 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . 0.434 ' CG ' ' N ' ' A' ' 829' ' ' THR . 41.7 ptt85 -46.83 -48.29 20.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 829' ' ' THR . . . . . 0.434 ' N ' ' CG ' ' A' ' 828' ' ' ARG . 73.7 p -38.52 -38.61 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.145 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 830' ' ' HIS . . . . . 0.523 ' CG ' ' HG2' ' A' ' 812' ' ' GLU . 76.4 m-70 -81.46 50.3 1.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -124.79 39.49 3.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 832' ' ' GLY . . . . . . . . . . . . . . . -137.41 -179.11 16.53 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.501 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 34.1 m -123.55 138.62 52.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.844 0.354 . . . . 0.0 111.131 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 83.3 p -115.89 153.76 30.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.832 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 835' ' ' GLY . . . . . . . . . . . . . . . -149.43 143.5 10.91 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.509 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 836' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -50.17 0.49 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.685 2.256 . . . . 0.0 112.317 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 837' ' ' SER . . . . . . . . . . . . . 4.8 m -48.24 141.72 6.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 838' ' ' SER . . . . . . . . . . . . . 3.3 m -67.73 -43.33 80.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 839' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.472 179.986 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 4.3 m -111.8 139.28 47.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.899 0.381 . . . . 0.0 110.883 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 798' ' ' SER . . . . . . . . . . . . . 97.3 p -140.55 162.89 34.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.866 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . 178.02 178.06 47.23 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.459 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 57.0 m -139.73 147.74 41.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.918 0.389 . . . . 0.0 110.842 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 801' ' ' SER . . . . . . . . . . . . . 29.7 t -111.04 127.43 55.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.866 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 802' ' ' GLY . . . . . . . . . . . . . . . 112.81 109.28 2.96 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.483 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 96.2 p -124.92 93.82 4.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.848 0.356 . . . . 0.0 110.798 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 161.93 152.8 6.84 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.522 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -109.53 135.77 49.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.934 0.397 . . . . 0.0 110.881 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 806' ' ' LYS . . . . . 0.456 ' HD2' ' N ' ' A' ' 806' ' ' LYS . 0.0 OUTLIER -93.67 137.07 23.39 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.552 0.691 . . . . 0.0 110.915 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 807' ' ' PRO . . . . . 0.49 ' HG2' ' CD2' ' A' ' 808' ' ' TYR . 54.1 Cg_endo -69.8 -21.61 33.08 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.662 2.241 . . . . 0.0 112.362 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 808' ' ' TYR . . . . . 0.49 ' CD2' ' HG2' ' A' ' 807' ' ' PRO . 32.4 m-85 -116.48 140.22 49.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 809' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -150.62 111.14 4.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.941 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 810' ' ' CYS . . . . . . . . . . . . . 32.6 t -41.51 156.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 17.8 t30 -103.83 -31.44 9.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -67.51 -57.13 7.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 23.1 p -100.24 -47.04 5.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 114.36 17.25 7.23 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.464 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . 0.48 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 2.3 mmpt? -55.09 176.7 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.737 0.303 . . . . 0.0 110.927 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 816' ' ' ALA . . . . . . . . . . . . . . . -141.48 134.66 29.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.13 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -139.67 144.93 37.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 28.1 pt -74.09 -25.91 20.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.126 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 18.1 m0 -115.93 152.48 33.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 820' ' ' LYS . . . . . 0.476 ' HB2' ' CZ ' ' A' ' 808' ' ' TYR . 32.1 tptt -67.49 -58.53 4.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 821' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 820' ' ' LYS . 26.2 m -37.61 -50.16 1.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 78.6 mt -49.58 -42.07 43.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 823' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 820' ' ' LYS . 12.6 tp -67.07 -37.76 84.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 824' ' ' ILE . . . . . . . . . . . . . 79.4 mt -64.02 -60.83 2.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.112 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 825' ' ' VAL . . . . . . . . . . . . . 14.1 t -60.36 -9.51 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 826' ' ' HIS . . . . . 0.48 ' CE1' ' HG3' ' A' ' 815' ' ' LYS . 11.4 t60 -93.2 -59.34 2.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -44.17 -39.54 4.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . 0.466 ' HG3' ' N ' ' A' ' 829' ' ' THR . 17.6 ptt180 -53.51 -37.73 63.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.863 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 829' ' ' THR . . . . . 0.466 ' N ' ' HG3' ' A' ' 828' ' ' ARG . 43.8 p -52.46 -19.3 2.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 830' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -77.51 -40.82 41.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.806 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -77.25 133.64 38.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.083 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 832' ' ' GLY . . . . . . . . . . . . . . . 118.8 -80.84 0.32 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.497 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 87.5 t -52.23 121.75 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.841 0.353 . . . . 0.0 111.095 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 9.3 m -51.29 144.36 9.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 835' ' ' GLY . . . . . . . . . . . . . . . -116.51 166.12 12.35 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.469 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 836' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -35.94 11.72 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.654 2.236 . . . . 0.0 112.368 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 837' ' ' SER . . . . . . . . . . . . . 28.6 t -102.81 -57.23 2.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 838' ' ' SER . . . . . . . . . . . . . 54.7 p -142.24 117.48 10.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.858 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 839' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.446 179.991 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 13.2 t -165.51 140.6 4.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.845 0.355 . . . . 0.0 110.896 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 798' ' ' SER . . . . . . . . . . . . . 3.6 m -153.09 160.88 42.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . 145.17 -110.76 0.56 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.456 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 51.8 m 46.14 42.02 9.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 110.83 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 801' ' ' SER . . . . . . . . . . . . . 2.5 m -114.5 110.32 19.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 802' ' ' GLY . . . . . . . . . . . . . . . -154.23 64.14 0.34 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.445 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 1.8 m -124.62 41.85 3.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.91 0.386 . . . . 0.0 110.819 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 140.2 128.12 2.44 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.472 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -149.55 140.54 22.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.931 0.396 . . . . 0.0 110.893 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 806' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.57 136.33 82.29 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.557 0.694 . . . . 0.0 110.912 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 807' ' ' PRO . . . . . 0.584 ' HG2' ' CD2' ' A' ' 808' ' ' TYR . 53.9 Cg_endo -69.75 -36.57 10.6 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.679 2.252 . . . . 0.0 112.374 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 808' ' ' TYR . . . . . 0.686 ' HB3' HD22 ' A' ' 823' ' ' LEU . 5.2 m-85 -106.76 142.54 36.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 809' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 810' ' ' CYS . 10.3 tt0 -146.58 107.5 4.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 810' ' ' CYS . . . . . 0.422 ' C ' ' O ' ' A' ' 809' ' ' GLU . 23.0 t -36.03 152.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.917 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -105.62 -28.43 10.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 812' ' ' GLU . . . . . 0.431 ' HG3' ' CB ' ' A' ' 830' ' ' HIS . 52.3 mm-40 -66.8 -47.34 72.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.845 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 21.7 p -113.22 -45.42 3.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 118.06 13.6 7.02 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.491 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . 0.559 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 16.4 mmtm -54.32 173.42 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.766 0.317 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 816' ' ' ALA . . . . . . . . . . . . . . . -138.08 133.17 33.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.136 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -135.67 149.31 49.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.85 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 24.7 pt -82.15 -26.18 9.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.143 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 819' ' ' TRP . . . . . 0.452 ' HB2' ' CD1' ' A' ' 822' ' ' LEU . 11.8 m0 -115.67 149.38 38.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 820' ' ' LYS . . . . . 0.516 ' HE3' ' CE1' ' A' ' 808' ' ' TYR . 3.0 tppp? -66.94 -53.35 32.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 821' ' ' SER . . . . . 0.781 ' HA ' HD12 ' A' ' 824' ' ' ILE . 91.6 p -46.07 -36.83 6.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 822' ' ' LEU . . . . . 0.452 ' CD1' ' HB2' ' A' ' 819' ' ' TRP . 76.4 mt -65.34 -35.87 82.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.907 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 823' ' ' LEU . . . . . 0.686 HD22 ' HB3' ' A' ' 808' ' ' TYR . 23.0 tp -72.62 -28.64 62.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 824' ' ' ILE . . . . . 0.781 HD12 ' HA ' ' A' ' 821' ' ' SER . 40.0 mt -70.66 -57.52 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 825' ' ' VAL . . . . . 0.43 ' O ' HG12 ' A' ' 825' ' ' VAL . 57.9 t -58.75 -13.09 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 826' ' ' HIS . . . . . 0.827 ' O ' HG22 ' A' ' 829' ' ' THR . 35.4 t60 -96.56 -54.96 3.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -47.57 -33.68 6.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . 0.47 ' HG3' ' N ' ' A' ' 829' ' ' THR . 7.6 ptm180 -61.84 -33.55 74.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.909 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 829' ' ' THR . . . . . 0.827 HG22 ' O ' ' A' ' 826' ' ' HIS . 4.8 t -55.04 -16.75 3.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.168 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 830' ' ' HIS . . . . . 0.431 ' CB ' ' HG3' ' A' ' 812' ' ' GLU . 96.8 m-70 -92.55 43.32 1.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -124.76 43.16 3.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.068 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 832' ' ' GLY . . . . . . . . . . . . . . . 57.35 53.08 47.62 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.487 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 34.9 m -82.95 40.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.851 0.357 . . . . 0.0 111.167 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 10.9 t -147.25 137.41 23.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 835' ' ' GLY . . . . . . . . . . . . . . . -162.2 145.13 10.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.467 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 836' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 104.99 1.41 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.729 2.286 . . . . 0.0 112.308 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 837' ' ' SER . . . . . . . . . . . . . 91.1 p -105.29 122.17 45.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 838' ' ' SER . . . . . . . . . . . . . 14.8 t -105.67 106.6 17.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 839' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.494 179.987 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 18.0 m -124.9 90.94 3.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.845 0.355 . . . . 0.0 110.874 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 798' ' ' SER . . . . . . . . . . . . . 99.1 p -102.0 121.58 42.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . -110.38 -65.51 0.54 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.504 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 34.4 p -165.56 133.94 3.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.896 0.379 . . . . 0.0 110.833 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 801' ' ' SER . . . . . . . . . . . . . 78.8 p -151.76 142.46 22.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 802' ' ' GLY . . . . . . . . . . . . . . . 72.84 167.6 11.21 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.484 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 22.9 t -123.08 -50.52 1.92 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.882 0.372 . . . . 0.0 110.83 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . -89.94 -171.69 44.71 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.514 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -145.86 148.84 33.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.872 0.368 . . . . 0.0 110.915 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 806' ' ' LYS . . . . . 0.642 ' HG3' ' HB1' ' A' ' 816' ' ' ALA . 43.2 mmtm -59.46 132.19 88.23 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.585 0.707 . . . . 0.0 110.881 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 807' ' ' PRO . . . . . 0.535 ' HG2' ' CD2' ' A' ' 808' ' ' TYR . 53.5 Cg_endo -69.74 -30.6 22.13 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.695 2.264 . . . . 0.0 112.321 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 808' ' ' TYR . . . . . 0.604 ' HB3' HD22 ' A' ' 823' ' ' LEU . 16.3 m-85 -115.27 142.06 47.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 809' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 810' ' ' CYS . 10.5 tt0 -152.13 107.82 3.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 810' ' ' CYS . . . . . 0.433 ' C ' ' O ' ' A' ' 809' ' ' GLU . 14.6 t -35.45 152.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -103.56 -35.96 8.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -58.7 -55.49 34.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 19.7 p -105.63 -49.17 3.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 122.86 14.0 4.36 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.476 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . 0.574 ' HG3' ' CE1' ' A' ' 826' ' ' HIS . 18.1 mmmt -51.92 165.86 0.18 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.82 0.343 . . . . 0.0 110.865 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 816' ' ' ALA . . . . . 0.642 ' HB1' ' HG3' ' A' ' 806' ' ' LYS . . . -128.92 140.69 51.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 817' ' ' PHE . . . . . 0.49 ' CZ ' ' HB3' ' A' ' 815' ' ' LYS . 6.2 m-85 -147.03 140.85 25.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 818' ' ' ILE . . . . . 0.422 HG23 ' HE3' ' A' ' 806' ' ' LYS . 9.2 pt -78.3 -23.44 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.132 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 7.3 m0 -114.87 144.26 43.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 820' ' ' LYS . . . . . 0.523 ' HB2' ' CZ ' ' A' ' 808' ' ' TYR . 16.9 tptm -62.52 -56.07 21.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 821' ' ' SER . . . . . 0.58 ' HA ' HD12 ' A' ' 824' ' ' ILE . 76.3 p -40.73 -51.11 3.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 71.4 mt -49.62 -40.92 40.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.936 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 823' ' ' LEU . . . . . 0.604 HD22 ' HB3' ' A' ' 808' ' ' TYR . 17.8 tp -68.08 -32.26 72.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 824' ' ' ILE . . . . . 0.58 HD12 ' HA ' ' A' ' 821' ' ' SER . 70.1 mt -69.88 -47.43 69.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 825' ' ' VAL . . . . . . . . . . . . . 23.9 t -65.59 -18.13 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.107 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 826' ' ' HIS . . . . . 0.683 ' O ' HG22 ' A' ' 829' ' ' THR . 39.1 t60 -92.45 -47.65 7.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 827' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -44.88 -30.71 1.04 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -77.06 -38.92 51.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 829' ' ' THR . . . . . 0.683 HG22 ' O ' ' A' ' 826' ' ' HIS . 1.4 t -41.22 -32.64 0.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 830' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 -70.16 -49.68 48.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.892 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -38.59 105.14 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.074 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 832' ' ' GLY . . . . . . . . . . . . . . . 115.42 -76.48 0.26 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 33.2 m -84.1 39.83 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.833 0.349 . . . . 0.0 111.107 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 3.8 m -72.3 106.15 4.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 835' ' ' GLY . . . . . . . . . . . . . . . 72.2 145.01 0.51 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.465 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 836' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 158.41 57.09 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.641 2.227 . . . . 0.0 112.383 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 837' ' ' SER . . . . . . . . . . . . . 32.7 t -65.52 154.76 37.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 838' ' ' SER . . . . . . . . . . . . . 21.6 m -160.63 166.91 28.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.846 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 839' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.491 179.984 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 3.7 t -166.91 129.58 1.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.899 0.381 . . . . 0.0 110.875 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 798' ' ' SER . . . . . . . . . . . . . 2.6 t -136.69 133.65 36.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . -147.13 138.33 7.2 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.491 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 3.0 m -60.54 147.57 40.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.875 0.369 . . . . 0.0 110.914 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 801' ' ' SER . . . . . . . . . . . . . 43.0 m -83.16 113.23 20.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 802' ' ' GLY . . . . . . . . . . . . . . . -154.31 166.55 32.18 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.477 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 14.6 t -121.03 156.89 31.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.894 0.378 . . . . 0.0 110.86 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . -46.52 155.06 0.73 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.52 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 28.8 mp0 -54.03 153.39 4.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.873 0.368 . . . . 0.0 110.881 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 806' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -63.45 142.95 97.92 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.581 0.705 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 807' ' ' PRO . . . . . 0.566 ' HG2' ' CD2' ' A' ' 808' ' ' TYR . 53.6 Cg_endo -69.72 -26.45 27.74 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.688 2.259 . . . . 0.0 112.319 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 808' ' ' TYR . . . . . 0.566 ' CD2' ' HG2' ' A' ' 807' ' ' PRO . 23.3 m-85 -118.31 145.33 45.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.87 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 809' ' ' GLU . . . . . 0.429 ' CG ' ' O ' ' A' ' 815' ' ' LYS . 20.9 tt0 -150.86 112.91 4.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.925 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 810' ' ' CYS . . . . . 0.608 ' HA ' HD11 ' A' ' 823' ' ' LEU . 12.9 t -39.53 153.52 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -104.12 -35.14 8.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -60.49 -52.13 66.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 813' ' ' CYS . . . . . . . . . . . . . 9.8 p -107.07 -49.63 3.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.84 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . 122.45 11.53 5.54 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.468 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . 0.429 ' O ' ' CG ' ' A' ' 809' ' ' GLU . 0.0 OUTLIER -55.08 172.0 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.79 0.328 . . . . 0.0 110.873 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 816' ' ' ALA . . . . . . . . . . . . . . . -133.2 133.77 43.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.115 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 817' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -134.38 132.51 39.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 818' ' ' ILE . . . . . . . . . . . . . 11.0 pt -67.06 -25.36 33.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.087 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 7.8 m0 -114.85 144.38 43.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 820' ' ' LYS . . . . . 0.453 ' HB2' ' CZ ' ' A' ' 808' ' ' TYR . 20.4 tptm -60.76 -60.62 3.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.884 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 821' ' ' SER . . . . . 0.619 ' HA ' HD12 ' A' ' 824' ' ' ILE . 50.4 m -37.61 -52.65 1.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 822' ' ' LEU . . . . . . . . . . . . . 76.9 mt -46.67 -41.28 14.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 823' ' ' LEU . . . . . 0.608 HD11 ' HA ' ' A' ' 810' ' ' CYS . 11.6 tp -68.89 -36.44 78.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 824' ' ' ILE . . . . . 0.619 HD12 ' HA ' ' A' ' 821' ' ' SER . 67.3 mt -64.1 -59.63 3.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.165 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 825' ' ' VAL . . . . . 0.5 ' O ' HG12 ' A' ' 825' ' ' VAL . 83.1 t -60.35 -9.65 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.117 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 826' ' ' HIS . . . . . 0.834 ' O ' HG22 ' A' ' 829' ' ' THR . 38.4 t60 -94.88 -64.04 1.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 827' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 826' ' ' HIS . 59.7 mt-10 -36.37 -39.06 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . 0.477 ' NE ' ' HA ' ' A' ' 825' ' ' VAL . 9.5 ptp180 -57.59 -46.09 84.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 829' ' ' THR . . . . . 0.834 HG22 ' O ' ' A' ' 826' ' ' HIS . 6.9 t -41.84 -23.9 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.15 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 830' ' ' HIS . . . . . 0.436 ' N ' ' O ' ' A' ' 828' ' ' ARG . 96.4 m-70 -83.42 39.74 0.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -131.25 81.78 2.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 832' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 833' ' ' VAL . . . 166.57 -45.72 0.26 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.435 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 833' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 832' ' ' GLY . 96.1 t -37.11 115.04 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.804 0.335 . . . . 0.0 111.153 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 9.7 t -41.33 139.29 1.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 835' ' ' GLY . . . . . . . . . . . . . . . -96.84 145.63 17.94 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.501 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 836' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 837' ' ' SER . 54.3 Cg_endo -69.72 155.76 65.2 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.715 2.276 . . . . 0.0 112.382 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 837' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 836' ' ' PRO . 94.0 p 34.32 46.51 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.837 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 838' ' ' SER . . . . . . . . . . . . . 35.6 p -72.92 118.23 15.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.876 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 839' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.501 -179.988 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_